# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 2355581'
loop_
_audit_author_name
_audit_author_address
'Qing Ye'
;University of Wuerzburg
Germany
;
_audit_update_record             
;
2024-05-15 deposited with the CCDC.	2024-10-03 downloaded from the CCDC.
;
_audit_creation_date             2024-05-14
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.01.12 svn.r2f8d729c for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/1
_chemical_formula_moiety         'C6.04 H31 B30.96'
_chemical_formula_sum            'C6.04 H31 B30.96'
_chemical_formula_weight         438.46
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      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'

_cell_length_a                   21.640(4)
_cell_length_b                   16.954(3)
_cell_length_c                   6.7999(12)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2494.7(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9876
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.58
_cell_measurement_theta_min      2.23
_shelx_estimated_absorpt_T_max   0.988
_shelx_estimated_absorpt_T_min   0.979
_exptl_absorpt_coefficient_mu    0.047
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6468
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2016/2 (Bruker AXS)'
_exptl_absorpt_special_details   
;
 Incident beam scaling, empirical absorption correction using spherical 
 harmonics, and outlier rejection was employed as implemented in SADABS. 
 Additional spherical absorption correction with mu*r value set to 0.2 was 
 applied.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.167
_exptl_crystal_description       block
_exptl_crystal_F_000             888
_exptl_crystal_preparation       
;
 For data collection the crystal was immersed in a film of perfluoropolyether 
 oil, mounted on a polyimide loop and transferred to stream of cold nitrogen 
 (Oxford Cryostream 800).
;
_exptl_crystal_size_max          0.444
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.251
_diffrn_reflns_av_R_equivalents  0.0596
_diffrn_reflns_av_unetI/netI     0.0306
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            29339
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.646
_diffrn_reflns_theta_min         1.882
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 CPA
_diffrn_detector_area_resol_mean 7.5
_diffrn_detector_type            'Photon II'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8-Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_orient_matrix_type       
;
 Sparks R.A., Computational Crystallography p1-18 (Clarendon Press, 1982)
;
_diffrn_orient_matrix_UB_11      0.0159889
_diffrn_orient_matrix_UB_12      -0.0026215
_diffrn_orient_matrix_UB_13      -0.0458919
_diffrn_orient_matrix_UB_21      -0.1313381
_diffrn_orient_matrix_UB_22      -0.0261338
_diffrn_orient_matrix_UB_23      -0.0036021
_diffrn_orient_matrix_UB_31      -0.0641972
_diffrn_orient_matrix_UB_32      0.0528131
_diffrn_orient_matrix_UB_33      -0.0040604
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_xray_symbol    K-L~2,3~
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'Incoatec ImS 2.0'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2537
_reflns_number_total             2984
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal class for the 
 calculation of statistics and refinement. _reflns_Friedel_fraction is 
 defined as the number of unique Friedel pairs measured divided by the number 
 that would be possible theoretically, ignoring centric projections and 
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Saint+ ver. 8.40B (Bruker AXS)'
_computing_data_collection       'BIS 6.2.14 / APEX4 ver. 2021.10 (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 8.40B (Bruker AXS)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_structure_solution    "SHELXT 2018/2 (Sheldrick, 2018)'"
_refine_diff_density_max         0.368
_refine_diff_density_min         -0.234
_refine_diff_density_rms         0.051
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     189
_refine_ls_number_reflns         2984
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0601
_refine_ls_R_factor_gt           0.0504
_refine_ls_restrained_S_all      1.104
_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)+(0.0772P)²+1.0046P] where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1400
_refine_ls_wR_factor_ref         0.1494
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Sof(B4)=Sof(H4A)=1-FVAR(1)
 Sof(C4)=Sof(H4)=FVAR(1)
2.a Boron cage BH refined with riding coordinates:
 B1(H1), B2(H2), B3(H3), C4(H4), B4(H4A), B5(H5), B6(H6), B7(H7), B8(H8),
 B9(H9), B10(H10), B11(H11), B13(H13), B14(H14), B15(H15), B16(H16), B17(H17),
 B18(H18)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
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
C1 C 0.20047(6) 0.67251(7) 0.46592(18) 0.0172(3) Uani 1 1 d . . . . .
B1 B 0.16048(7) 0.51588(9) 0.4318(2) 0.0233(3) Uani 1 1 d . . . . .
H1 H 0.169853 0.451128 0.444905 0.028 Uiso 1 1 calc R U . . .
C2 C 0.13184(5) 0.70467(7) 0.39422(17) 0.0163(3) Uani 1 1 d . . . . .
B2 B 0.08701(7) 0.55263(10) 0.3521(2) 0.0259(3) Uani 1 1 d . . . . .
H2 H 0.047983 0.512275 0.312361 0.031 Uiso 1 1 calc R U . . .
C3 C 0.31307(8) 0.750000 0.5197(2) 0.0159(4) Uani 1 2 d S T P A .
B3 B 0.11143(8) 0.56532(10) 0.6004(2) 0.0271(4) Uani 1 1 d . . . . .
H3 H 0.088550 0.533198 0.724565 0.032 Uiso 1 1 calc R U . . .
C4 C 0.3486(6) 0.8376(9) 0.610(3) 0.016(2) Uani 0.52(2) 1 d . . P A 1
H4 H 0.324931 0.895265 0.637948 0.019 Uiso 0.52(2) 1 calc R U P A 1
B4 B 0.3471(7) 0.8232(10) 0.605(3) 0.0150(19) Uani 0.48(2) 1 d . . P A 2
H4A H 0.318501 0.877091 0.632680 0.018 Uiso 0.48(2) 1 calc R U P A 2
B5 B 0.21811(7) 0.58315(8) 0.3533(2) 0.0215(3) Uani 1 1 d . . . . .
H5 H 0.266245 0.563792 0.316676 0.026 Uiso 1 1 calc R U . . .
B6 B 0.15352(7) 0.56270(9) 0.1987(2) 0.0225(3) Uani 1 1 d . . . . .
H6 H 0.158419 0.528901 0.058030 0.027 Uiso 1 1 calc R U . . .
B7 B 0.07357(7) 0.64438(10) 0.4718(2) 0.0244(3) Uani 1 1 d . . . . .
H7 H 0.026159 0.665812 0.510748 0.029 Uiso 1 1 calc R U . . .
B8 B 0.09943(7) 0.64304(9) 0.2235(2) 0.0225(3) Uani 1 1 d . . . . .
H8 H 0.069056 0.663587 0.100327 0.027 Uiso 1 1 calc R U . . .
B9 B 0.18066(7) 0.65907(8) 0.2209(2) 0.0196(3) Uani 1 1 d . . . . .
H9 H 0.204037 0.689610 0.095227 0.024 Uiso 1 1 calc R U . . .
B10 B 0.19265(7) 0.58523(9) 0.5990(2) 0.0237(3) Uani 1 1 d . . . . .
H10 H 0.224261 0.567608 0.721799 0.028 Uiso 1 1 calc R U . . .
B11 B 0.13820(7) 0.66141(9) 0.6274(2) 0.0219(3) Uani 1 1 d . . . . .
H11 H 0.133558 0.693459 0.770698 0.026 Uiso 1 1 calc R U . . .
B12 B 0.24164(9) 0.750000 0.4912(3) 0.0150(4) Uani 1 2 d S T P A .
B13 B 0.40653(7) 0.80270(10) 0.7659(2) 0.0238(3) Uani 1 1 d . . . . .
H13 H 0.420970 0.836949 0.899005 0.051(6) Uiso 1 1 calc R . . A 1
B14 B 0.42297(7) 0.83496(9) 0.5216(2) 0.0225(3) Uani 1 1 d . . . . .
H14 H 0.448988 0.890800 0.491775 0.040(5) Uiso 1 1 calc R . . A 1
B15 B 0.36171(6) 0.80279(9) 0.3658(2) 0.0209(3) Uani 1 1 d . . . . .
H15 H 0.345508 0.836876 0.234476 0.024(4) Uiso 1 1 calc R . . A 1
B16 B 0.43224(9) 0.750000 0.3693(3) 0.0208(4) Uani 1 2 d S T P A .
H16 H 0.463981 0.750001 0.239177 0.025 Uiso 1 2 calc R U P . .
B17 B 0.46030(9) 0.750000 0.6170(3) 0.0216(4) Uani 1 2 d S T P A .
H17 H 0.510955 0.749999 0.650883 0.026 Uiso 1 2 calc R U P . .
B18 B 0.33556(9) 0.750000 0.7628(3) 0.0200(4) Uani 1 2 d S T P A .
H18 H 0.302075 0.750000 0.888353 0.048(8) Uiso 1 2 calc R . P B 1


_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
C1 C2 1.6554(16) . ?
C1 B5 1.7400(19) . ?
C1 B9 1.7351(19) . ?
C1 B10 1.7428(19) . ?
C1 B11 1.7485(19) . ?
C1 B12 1.5966(16) . ?
B1 H1 1.1200 . ?
B1 B2 1.791(2) . ?
B1 B3 1.773(2) . ?
B1 B5 1.772(2) . ?
B1 B6 1.779(2) . ?
B1 B10 1.778(2) . ?
C2 C2 1.537(2) 7_575 ?
C2 B7 1.7069(19) . ?
C2 B8 1.7123(19) . ?
C2 B9 1.7614(18) . ?
C2 B11 1.7527(19) . ?
B2 H2 1.1200 . ?
B2 B3 1.782(2) . ?
B2 B6 1.786(2) . ?
B2 B7 1.780(2) . ?
B2 B8 1.785(2) . ?
C3 C4 1.782(16) 7_575 ?
C3 C4 1.782(16) . ?
C3 B4 1.556(18) . ?
C3 B4 1.556(18) 7_575 ?
C3 B12 1.558(2) . ?
C3 B15 1.733(2) 7_575 ?
C3 B15 1.733(2) . ?
C3 B18 1.723(3) . ?
B3 H3 1.1200 . ?
B3 B7 1.798(2) . ?
B3 B10 1.790(2) . ?
B3 B11 1.739(2) . ?
C4 H4 1.1200 . ?
C4 B13 1.744(15) . ?
C4 B14 1.718(14) . ?
C4 B15 1.786(17) . ?
C4 B18 1.834(16) . ?
B4 H4A 1.1200 . ?
B4 B13 1.723(19) . ?
B4 B14 1.748(16) . ?
B4 B15 1.69(2) . ?
B4 B18 1.66(2) . ?
B5 H5 1.1200 . ?
B5 B6 1.783(2) . ?
B5 B9 1.767(2) . ?
B5 B10 1.760(2) . ?
B6 H6 1.1200 . ?
B6 B8 1.804(2) . ?
B6 B9 1.743(2) . ?
B7 H7 1.1200 . ?
B7 B8 1.780(2) . ?
B7 B11 1.777(2) . ?
B8 H8 1.1200 . ?
B8 B9 1.779(2) . ?
B9 H9 1.1200 . ?
B10 H10 1.1200 . ?
B10 B11 1.759(2) . ?
B11 H11 1.1200 . ?
B13 B13 1.787(3) 7_575 ?
B13 H13 1.1200 . ?
B13 B14 1.785(2) . ?
B13 B17 1.782(2) . ?
B13 B18 1.777(2) . ?
B14 H14 1.1200 . ?
B14 B15 1.782(2) . ?
B14 B16 1.786(2) . ?
B14 B17 1.774(2) . ?
B15 B15 1.790(3) 7_575 ?
B15 H15 1.1200 . ?
B15 B16 1.770(2) . ?
B16 H16 1.1200 . ?
B16 B17 1.791(3) . ?
B17 H17 1.1200 . ?
B18 H18 1.1200 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 B5 110.74(9) . . ?
C2 C1 B9 62.55(8) . . ?
C2 C1 B10 110.21(9) . . ?
C2 C1 B11 61.91(8) . . ?
B5 C1 B10 60.70(8) . . ?
B5 C1 B11 110.60(10) . . ?
B9 C1 B5 61.14(8) . . ?
B9 C1 B10 111.29(9) . . ?
B9 C1 B11 113.49(10) . . ?
B10 C1 B11 60.50(8) . . ?
B12 C1 C2 105.14(10) . . ?
B12 C1 B5 129.89(11) . . ?
B12 C1 B9 110.44(11) . . ?
B12 C1 B10 134.18(11) . . ?
B12 C1 B11 116.80(11) . . ?
B2 B1 H1 121.7 . . ?
B3 B1 H1 121.4 . . ?
B3 B1 B2 60.00(9) . . ?
B3 B1 B6 108.34(11) . . ?
B3 B1 B10 60.53(9) . . ?
B5 B1 H1 121.8 . . ?
B5 B1 B2 108.04(11) . . ?
B5 B1 B3 108.17(11) . . ?
B5 B1 B6 60.27(8) . . ?
B5 B1 B10 59.44(9) . . ?
B6 B1 H1 121.6 . . ?
B6 B1 B2 60.02(9) . . ?
B10 B1 H1 121.8 . . ?
B10 B1 B2 108.12(11) . . ?
B10 B1 B6 107.94(10) . . ?
C1 C2 B7 111.99(10) . . ?
C1 C2 B8 111.47(10) . . ?
C1 C2 B9 60.94(8) . . ?
C1 C2 B11 61.65(8) . . ?
C2 C2 C1 109.23(6) 7_575 . ?
C2 C2 B7 126.79(7) 7_575 . ?
C2 C2 B8 127.61(7) 7_575 . ?
C2 C2 B9 116.04(6) 7_575 . ?
C2 C2 B11 114.74(6) 7_575 . ?
B7 C2 B8 62.72(9) . . ?
B7 C2 B9 112.78(10) . . ?
B7 C2 B11 61.81(8) . . ?
B8 C2 B9 61.58(8) . . ?
B8 C2 B11 112.98(10) . . ?
B11 C2 B9 111.99(10) . . ?
B1 B2 H2 122.0 . . ?
B3 B2 B1 59.49(9) . . ?
B3 B2 H2 121.7 . . ?
B3 B2 B6 107.64(11) . . ?
B3 B2 B8 108.42(11) . . ?
B6 B2 B1 59.66(9) . . ?
B6 B2 H2 121.7 . . ?
B7 B2 B1 108.10(11) . . ?
B7 B2 H2 121.4 . . ?
B7 B2 B3 60.63(9) . . ?
B7 B2 B6 108.38(10) . . ?
B7 B2 B8 59.89(9) . . ?
B8 B2 B1 108.25(10) . . ?
B8 B2 H2 121.3 . . ?
B8 B2 B6 60.67(9) . . ?
C4 C3 C4 112.9(10) . 7_575 ?
B4 C3 B4 105.8(13) 7_575 . ?
B4 C3 B12 121.1(6) . . ?
B4 C3 B12 121.1(6) 7_575 . ?
B4 C3 B15 110.4(6) . 7_575 ?
B4 C3 B15 61.7(8) . . ?
B4 C3 B15 61.7(8) 7_575 7_575 ?
B4 C3 B15 110.4(6) 7_575 . ?
B4 C3 B18 60.5(8) 7_575 . ?
B4 C3 B18 60.5(8) . . ?
B12 C3 C4 118.1(4) . 7_575 ?
B12 C3 C4 118.1(4) . . ?
B12 C3 B15 121.83(11) . 7_575 ?
B12 C3 B15 121.83(11) . . ?
B12 C3 B18 113.56(14) . . ?
B15 C3 C4 112.1(5) 7_575 . ?
B15 C3 C4 112.1(5) . 7_575 ?
B15 C3 C4 61.0(5) . . ?
B15 C3 C4 61.0(5) 7_575 7_575 ?
B15 C3 B15 62.19(12) . 7_575 ?
B18 C3 C4 63.1(5) . 7_575 ?
B18 C3 C4 63.1(5) . . ?
B18 C3 B15 114.06(11) . . ?
B18 C3 B15 114.06(11) . 7_575 ?
B1 B3 B2 60.51(9) . . ?
B1 B3 H3 121.5 . . ?
B1 B3 B7 108.11(11) . . ?
B1 B3 B10 59.86(9) . . ?
B2 B3 H3 121.6 . . ?
B2 B3 B7 59.61(9) . . ?
B2 B3 B10 107.99(11) . . ?
B7 B3 H3 121.8 . . ?
B10 B3 H3 122.0 . . ?
B10 B3 B7 107.72(10) . . ?
B11 B3 B1 108.17(11) . . ?
B11 B3 B2 108.18(11) . . ?
B11 B3 H3 121.6 . . ?
B11 B3 B7 60.31(9) . . ?
B11 B3 B10 59.78(9) . . ?
C3 C4 H4 126.0 . . ?
C3 C4 B15 58.1(5) . . ?
C3 C4 B18 56.9(5) . . ?
B13 C4 C3 103.7(8) . . ?
B13 C4 H4 121.5 . . ?
B13 C4 B15 109.8(7) . . ?
B13 C4 B18 59.5(5) . . ?
B14 C4 C3 105.2(8) . . ?
B14 C4 H4 120.7 . . ?
B14 C4 B13 62.0(5) . . ?
B14 C4 B15 61.1(5) . . ?
B14 C4 B18 108.8(8) . . ?
B15 C4 H4 121.2 . . ?
B15 C4 B18 106.5(8) . . ?
B18 C4 H4 122.7 . . ?
C3 B4 H4A 116.8 . . ?
C3 B4 B13 115.4(10) . . ?
C3 B4 B14 114.5(10) . . ?
C3 B4 B15 64.3(8) . . ?
C3 B4 B18 64.7(7) . . ?
B13 B4 H4A 118.1 . . ?
B13 B4 B14 61.9(5) . . ?
B14 B4 H4A 118.7 . . ?
B15 B4 H4A 115.5 . . ?
B15 B4 B13 115.5(9) . . ?
B15 B4 B14 62.4(6) . . ?
B18 B4 H4A 114.7 . . ?
B18 B4 B13 63.4(7) . . ?
B18 B4 B14 115.9(9) . . ?
B18 B4 B15 119.8(10) . . ?
C1 B5 B1 105.85(10) . . ?
C1 B5 H5 123.9 . . ?
C1 B5 B6 104.88(10) . . ?
C1 B5 B9 59.30(8) . . ?
C1 B5 B10 59.73(8) . . ?
B1 B5 H5 122.2 . . ?
B1 B5 B6 60.06(9) . . ?
B6 B5 H5 122.8 . . ?
B9 B5 B1 107.42(10) . . ?
B9 B5 H5 121.8 . . ?
B9 B5 B6 58.80(8) . . ?
B10 B5 B1 60.42(9) . . ?
B10 B5 H5 120.5 . . ?
B10 B5 B6 108.55(11) . . ?
B10 B5 B9 108.98(10) . . ?
B1 B6 B2 60.33(9) . . ?
B1 B6 B5 59.68(8) . . ?
B1 B6 H6 121.6 . . ?
B1 B6 B8 107.97(11) . . ?
B2 B6 H6 121.8 . . ?
B2 B6 B8 59.65(9) . . ?
B5 B6 B2 107.81(11) . . ?
B5 B6 H6 121.9 . . ?
B5 B6 B8 107.87(10) . . ?
B8 B6 H6 121.8 . . ?
B9 B6 B1 108.20(10) . . ?
B9 B6 B2 108.10(11) . . ?
B9 B6 B5 60.15(8) . . ?
B9 B6 H6 121.5 . . ?
B9 B6 B8 60.18(8) . . ?
C2 B7 B2 105.14(10) . . ?
C2 B7 B3 105.08(10) . . ?
C2 B7 H7 123.7 . . ?
C2 B7 B8 58.79(8) . . ?
C2 B7 B11 60.36(8) . . ?
B2 B7 B3 59.75(9) . . ?
B2 B7 H7 122.8 . . ?
B3 B7 H7 123.0 . . ?
B8 B7 B2 60.22(9) . . ?
B8 B7 B3 107.98(11) . . ?
B8 B7 H7 121.1 . . ?
B11 B7 B2 106.59(11) . . ?
B11 B7 B3 58.19(9) . . ?
B11 B7 H7 121.8 . . ?
B11 B7 B8 108.64(10) . . ?
C2 B8 B2 104.67(10) . . ?
C2 B8 B6 104.98(10) . . ?
C2 B8 B7 58.49(8) . . ?
C2 B8 H8 123.9 . . ?
C2 B8 B9 60.57(8) . . ?
B2 B8 B6 59.67(9) . . ?
B2 B8 H8 123.0 . . ?
B6 B8 H8 123.1 . . ?
B7 B8 B2 59.90(9) . . ?
B7 B8 B6 107.60(11) . . ?
B7 B8 H8 121.4 . . ?
B9 B8 B2 106.54(10) . . ?
B9 B8 B6 58.22(8) . . ?
B9 B8 B7 108.55(10) . . ?
B9 B8 H8 121.7 . . ?
C1 B9 C2 56.51(7) . . ?
C1 B9 B5 59.57(8) . . ?
C1 B9 B6 106.84(10) . . ?
C1 B9 B8 104.76(10) . . ?
C1 B9 H9 124.1 . . ?
C2 B9 B5 104.72(10) . . ?
C2 B9 B8 57.85(8) . . ?
C2 B9 H9 125.3 . . ?
B5 B9 B8 109.69(10) . . ?
B5 B9 H9 121.2 . . ?
B6 B9 C2 105.51(10) . . ?
B6 B9 B5 61.05(8) . . ?
B6 B9 B8 61.61(9) . . ?
B6 B9 H9 121.3 . . ?
B8 B9 H9 121.6 . . ?
C1 B10 B1 105.51(10) . . ?
C1 B10 B3 104.97(10) . . ?
C1 B10 B5 59.57(8) . . ?
C1 B10 H10 123.7 . . ?
C1 B10 B11 59.91(8) . . ?
B1 B10 B3 59.61(9) . . ?
B1 B10 H10 122.7 . . ?
B3 B10 H10 123.1 . . ?
B5 B10 B1 60.14(9) . . ?
B5 B10 B3 107.99(11) . . ?
B5 B10 H10 120.7 . . ?
B11 B10 B1 107.08(11) . . ?
B11 B10 B3 58.67(9) . . ?
B11 B10 B5 109.20(10) . . ?
B11 B10 H10 121.5 . . ?
C1 B11 C2 56.43(7) . . ?
C1 B11 B7 104.48(10) . . ?
C1 B11 B10 59.59(8) . . ?
C1 B11 H11 124.3 . . ?
C2 B11 B7 57.83(8) . . ?
C2 B11 B10 105.10(10) . . ?
C2 B11 H11 125.2 . . ?
B3 B11 C1 106.93(11) . . ?
B3 B11 C2 105.69(10) . . ?
B3 B11 B7 61.50(9) . . ?
B3 B11 B10 61.55(9) . . ?
B3 B11 H11 121.1 . . ?
B7 B11 H11 121.7 . . ?
B10 B11 B7 110.03(11) . . ?
B10 B11 H11 120.8 . . ?
C1 B12 C1 110.74(14) 7_575 . ?
C3 B12 C1 124.54(7) . 7_575 ?
C3 B12 C1 124.55(7) . . ?
C4 B13 B13 109.8(5) . 7_575 ?
C4 B13 H13 121.0 . . ?
C4 B13 B14 58.3(5) . . ?
C4 B13 B17 107.1(5) . . ?
C4 B13 B18 62.8(5) . . ?
B4 B13 B14 59.7(6) . . ?
B4 B13 B17 103.2(6) . . ?
B4 B13 B18 56.6(6) . . ?
B13 B13 H13 121.2 7_575 . ?
B14 B13 B13 107.85(7) . 7_575 ?
B14 B13 H13 122.5 . . ?
B17 B13 B13 59.91(6) . 7_575 ?
B17 B13 H13 122.5 . . ?
B17 B13 B14 59.67(9) . . ?
B18 B13 B13 59.81(6) . 7_575 ?
B18 B13 H13 120.8 . . ?
B18 B13 B14 108.38(11) . . ?
B18 B13 B17 107.79(11) . . ?
C4 B14 B13 59.7(6) . . ?
C4 B14 H14 120.8 . . ?
C4 B14 B15 61.3(6) . . ?
C4 B14 B16 109.2(5) . . ?
C4 B14 B17 108.6(5) . . ?
B4 B14 B13 58.4(7) . . ?
B4 B14 B15 57.3(7) . . ?
B4 B14 B16 101.6(6) . . ?
B4 B14 B17 102.5(6) . . ?
B13 B14 H14 121.9 . . ?
B13 B14 B16 108.37(11) . . ?
B15 B14 B13 108.13(10) . . ?
B15 B14 H14 121.7 . . ?
B15 B14 B16 59.47(9) . . ?
B16 B14 H14 121.4 . . ?
B17 B14 B13 60.10(10) . . ?
B17 B14 H14 121.6 . . ?
B17 B14 B15 107.91(11) . . ?
B17 B14 B16 60.40(10) . . ?
C3 B15 C4 60.8(5) . . ?
C3 B15 B14 104.52(11) . . ?
C3 B15 B15 58.91(6) . 7_575 ?
C3 B15 H15 123.9 . . ?
C3 B15 B16 104.75(10) . . ?
C4 B15 B15 109.3(5) . 7_575 ?
C4 B15 H15 121.5 . . ?
B4 B15 C3 54.0(6) . . ?
B4 B15 B14 60.3(5) . . ?
B4 B15 B15 101.8(6) . 7_575 ?
B4 B15 B16 104.5(6) . . ?
B14 B15 C4 57.6(5) . . ?
B14 B15 B15 107.82(7) . 7_575 ?
B14 B15 H15 123.3 . . ?
B15 B15 H15 121.1 7_575 . ?
B16 B15 C4 106.9(5) . . ?
B16 B15 B14 60.36(9) . . ?
B16 B15 B15 59.61(6) . 7_575 ?
B16 B15 H15 122.8 . . ?
B14 B16 B14 107.56(14) 7_575 . ?
B14 B16 H16 121.8 . . ?
B14 B16 H16 121.8 7_575 . ?
B14 B16 B17 59.49(8) 7_575 . ?
B14 B16 B17 59.49(8) . . ?
B15 B16 B14 60.18(8) 7_575 7_575 ?
B15 B16 B14 60.18(8) . . ?
B15 B16 B14 108.59(12) . 7_575 ?
B15 B16 B14 108.59(12) 7_575 . ?
B15 B16 B15 60.77(12) 7_575 . ?
B15 B16 H16 121.2 . . ?
B15 B16 H16 121.2 7_575 . ?
B15 B16 B17 107.76(12) 7_575 . ?
B15 B16 B17 107.76(12) . . ?
B17 B16 H16 122.4 . . ?
B13 B17 B13 60.17(12) . 7_575 ?
B13 B17 B16 108.23(12) . . ?
B13 B17 B16 108.23(12) 7_575 . ?
B13 B17 H17 121.5 . . ?
B13 B17 H17 121.5 7_575 . ?
B14 B17 B13 60.23(8) . . ?
B14 B17 B13 108.50(12) 7_575 . ?
B14 B17 B13 60.23(8) 7_575 7_575 ?
B14 B17 B13 108.50(12) . 7_575 ?
B14 B17 B14 108.53(14) 7_575 . ?
B14 B17 B16 60.10(8) . . ?
B14 B17 B16 60.10(8) 7_575 . ?
B14 B17 H17 121.4 . . ?
B14 B17 H17 121.4 7_575 . ?
B16 B17 H17 121.7 . . ?
C3 B18 C4 60.0(5) . . ?
C3 B18 C4 60.0(5) . 7_575 ?
C3 B18 B13 104.81(12) . 7_575 ?
C3 B18 B13 104.80(12) . . ?
C3 B18 H18 123.3 . . ?
C4 B18 C4 108.2(10) . 7_575 ?
C4 B18 H18 122.1 . . ?
C4 B18 H18 122.1 7_575 . ?
B4 B18 C3 54.7(7) 7_575 . ?
B4 B18 C3 54.7(7) . . ?
B4 B18 B4 96.8(13) 7_575 . ?
B4 B18 B13 104.7(5) 7_575 . ?
B4 B18 B13 60.1(6) . . ?
B13 B18 C4 106.3(4) . 7_575 ?
B13 B18 C4 57.7(5) 7_575 7_575 ?
B13 B18 C4 106.3(4) 7_575 . ?
B13 B18 C4 57.7(5) . . ?
B13 B18 B13 60.37(12) 7_575 . ?
B13 B18 H18 123.4 . . ?
B13 B18 H18 123.4 7_575 . ?

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
C1 C2 B7 B2 -63.62(13) . . . . ?
C1 C2 B7 B3 -1.49(14) . . . . ?
C1 C2 B7 B8 -103.65(11) . . . . ?
C1 C2 B7 B11 37.12(10) . . . . ?
C1 C2 B8 B2 64.70(12) . . . . ?
C1 C2 B8 B6 2.75(13) . . . . ?
C1 C2 B8 B7 104.47(11) . . . . ?
C1 C2 B8 B9 -36.27(9) . . . . ?
C1 C2 B9 B5 36.70(9) . . . . ?
C1 C2 B9 B6 100.19(10) . . . . ?
C1 C2 B9 B8 140.97(10) . . . . ?
C1 C2 B11 B3 -100.18(11) . . . . ?
C1 C2 B11 B7 -140.52(11) . . . . ?
C1 C2 B11 B10 -36.08(9) . . . . ?
C1 B5 B6 B1 -99.97(11) . . . . ?
C1 B5 B6 B2 -62.19(12) . . . . ?
C1 B5 B6 B8 0.81(13) . . . . ?
C1 B5 B6 B9 38.87(9) . . . . ?
C1 B5 B9 C2 -35.32(8) . . . . ?
C1 B5 B9 B6 -135.14(10) . . . . ?
C1 B5 B9 B8 -95.95(10) . . . . ?
C1 B5 B10 B1 134.02(11) . . . . ?
C1 B5 B10 B3 97.13(11) . . . . ?
C1 B5 B10 B11 34.89(9) . . . . ?
C1 B10 B11 C2 34.68(8) . . . . ?
C1 B10 B11 B3 134.60(11) . . . . ?
C1 B10 B11 B7 95.43(11) . . . . ?
B1 B2 B3 B7 138.20(11) . . . . ?
B1 B2 B3 B10 37.80(10) . . . . ?
B1 B2 B3 B11 101.03(12) . . . . ?
B1 B2 B6 B5 -37.49(10) . . . . ?
B1 B2 B6 B8 -138.17(11) . . . . ?
B1 B2 B6 B9 -101.07(11) . . . . ?
B1 B2 B7 C2 61.70(13) . . . . ?
B1 B2 B7 B3 -37.17(10) . . . . ?
B1 B2 B7 B8 101.03(11) . . . . ?
B1 B2 B7 B11 -1.30(14) . . . . ?
B1 B2 B8 C2 -61.69(13) . . . . ?
B1 B2 B8 B6 37.31(10) . . . . ?
B1 B2 B8 B7 -100.77(12) . . . . ?
B1 B2 B8 B9 1.43(14) . . . . ?
B1 B3 B7 C2 -61.36(13) . . . . ?
B1 B3 B7 B2 37.62(10) . . . . ?
B1 B3 B7 B8 0.16(14) . . . . ?
B1 B3 B7 B11 -101.03(12) . . . . ?
B1 B3 B10 C1 99.45(11) . . . . ?
B1 B3 B10 B5 37.12(10) . . . . ?
B1 B3 B10 B11 139.07(11) . . . . ?
B1 B3 B11 C1 3.33(14) . . . . ?
B1 B3 B11 C2 62.35(13) . . . . ?
B1 B3 B11 B7 100.92(12) . . . . ?
B1 B3 B11 B10 -36.60(11) . . . . ?
B1 B5 B6 B2 37.78(10) . . . . ?
B1 B5 B6 B8 100.78(12) . . . . ?
B1 B5 B6 B9 138.84(11) . . . . ?
B1 B5 B9 C1 98.43(11) . . . . ?
B1 B5 B9 C2 63.11(12) . . . . ?
B1 B5 B9 B6 -36.71(10) . . . . ?
B1 B5 B9 B8 2.48(14) . . . . ?
B1 B5 B10 C1 -134.02(11) . . . . ?
B1 B5 B10 B3 -36.89(10) . . . . ?
B1 B5 B10 B11 -99.13(12) . . . . ?
B1 B6 B8 C2 60.94(13) . . . . ?
B1 B6 B8 B2 -37.53(10) . . . . ?
B1 B6 B8 B7 -0.20(13) . . . . ?
B1 B6 B8 B9 101.10(11) . . . . ?
B1 B6 B9 C1 -2.72(13) . . . . ?
B1 B6 B9 C2 -61.77(13) . . . . ?
B1 B6 B9 B5 36.73(10) . . . . ?
B1 B6 B9 B8 -100.72(12) . . . . ?
B1 B10 B11 C1 -98.36(11) . . . . ?
B1 B10 B11 C2 -63.68(12) . . . . ?
B1 B10 B11 B3 36.24(10) . . . . ?
B1 B10 B11 B7 -2.93(14) . . . . ?
C2 C1 B5 B1 -61.64(12) . . . . ?
C2 C1 B5 B6 0.88(13) . . . . ?
C2 C1 B5 B9 39.50(9) . . . . ?
C2 C1 B5 B10 -102.19(10) . . . . ?
C2 C1 B9 B5 -137.90(10) . . . . ?
C2 C1 B9 B6 -97.74(10) . . . . ?
C2 C1 B9 B8 -33.46(9) . . . . ?
C2 C1 B10 B1 62.74(13) . . . . ?
C2 C1 B10 B3 0.72(13) . . . . ?
C2 C1 B10 B5 103.06(10) . . . . ?
C2 C1 B10 B11 -38.30(10) . . . . ?
C2 C1 B11 B3 97.88(11) . . . . ?
C2 C1 B11 B7 33.77(9) . . . . ?
C2 C1 B11 B10 138.76(10) . . . . ?
C2 C1 B12 C1 7.09(17) . . . 7_575 ?
C2 C1 B12 C3 -168.32(14) . . . . ?
C2 C2 B7 B2 158.18(7) 7_575 . . . ?
C2 C2 B7 B3 -139.70(8) 7_575 . . . ?
C2 C2 B7 B8 118.15(8) 7_575 . . . ?
C2 C2 B7 B11 -101.08(9) 7_575 . . . ?
C2 C2 B8 B2 -156.73(7) 7_575 . . . ?
C2 C2 B8 B6 141.32(7) 7_575 . . . ?
C2 C2 B8 B7 -116.96(9) 7_575 . . . ?
C2 C2 B8 B9 102.31(8) 7_575 . . . ?
C2 C2 B9 C1 98.51(7) 7_575 . . . ?
C2 C2 B9 B5 135.22(7) 7_575 . . . ?
C2 C2 B9 B6 -161.30(7) 7_575 . . . ?
C2 C2 B9 B8 -120.52(8) 7_575 . . . ?
C2 C2 B11 C1 -99.41(7) 7_575 . . . ?
C2 C2 B11 B3 160.41(7) 7_575 . . . ?
C2 C2 B11 B7 120.07(8) 7_575 . . . ?
C2 C2 B11 B10 -135.49(7) 7_575 . . . ?
C2 B7 B8 B2 134.33(11) . . . . ?
C2 B7 B8 B6 97.10(11) . . . . ?
C2 B7 B8 B9 35.55(10) . . . . ?
C2 B7 B11 C1 -33.18(9) . . . . ?
C2 B7 B11 B3 -134.84(11) . . . . ?
C2 B7 B11 B10 -95.64(11) . . . . ?
C2 B8 B9 C1 32.90(9) . . . . ?
C2 B8 B9 B5 95.38(11) . . . . ?
C2 B8 B9 B6 134.32(11) . . . . ?
B2 B1 B3 B7 -37.23(10) . . . . ?
B2 B1 B3 B10 -137.62(11) . . . . ?
B2 B1 B3 B11 -101.05(12) . . . . ?
B2 B1 B5 C1 60.61(13) . . . . ?
B2 B1 B5 B6 -37.70(10) . . . . ?
B2 B1 B5 B9 -1.54(14) . . . . ?
B2 B1 B5 B10 100.81(12) . . . . ?
B2 B1 B6 B5 137.83(11) . . . . ?
B2 B1 B6 B8 37.23(10) . . . . ?
B2 B1 B6 B9 100.89(12) . . . . ?
B2 B1 B10 C1 -60.61(13) . . . . ?
B2 B1 B10 B3 37.89(10) . . . . ?
B2 B1 B10 B5 -100.67(12) . . . . ?
B2 B1 B10 B11 2.06(14) . . . . ?
B2 B3 B7 C2 -98.98(11) . . . . ?
B2 B3 B7 B8 -37.46(10) . . . . ?
B2 B3 B7 B11 -138.65(11) . . . . ?
B2 B3 B10 C1 61.36(13) . . . . ?
B2 B3 B10 B1 -38.09(10) . . . . ?
B2 B3 B10 B5 -0.97(14) . . . . ?
B2 B3 B10 B11 100.98(12) . . . . ?
B2 B3 B11 C1 -60.72(13) . . . . ?
B2 B3 B11 C2 -1.71(14) . . . . ?
B2 B3 B11 B7 36.86(10) . . . . ?
B2 B3 B11 B10 -100.66(12) . . . . ?
B2 B6 B8 C2 98.47(11) . . . . ?
B2 B6 B8 B7 37.33(10) . . . . ?
B2 B6 B8 B9 138.63(11) . . . . ?
B2 B6 B9 C1 61.12(13) . . . . ?
B2 B6 B9 C2 2.07(13) . . . . ?
B2 B6 B9 B5 100.58(12) . . . . ?
B2 B6 B9 B8 -36.87(10) . . . . ?
B2 B7 B8 C2 -134.33(11) . . . . ?
B2 B7 B8 B6 -37.23(10) . . . . ?
B2 B7 B8 B9 -98.78(11) . . . . ?
B2 B7 B11 C1 65.11(12) . . . . ?
B2 B7 B11 C2 98.28(11) . . . . ?
B2 B7 B11 B3 -36.55(10) . . . . ?
B2 B7 B11 B10 2.64(14) . . . . ?
B2 B8 B9 C1 -64.90(12) . . . . ?
B2 B8 B9 C2 -97.80(11) . . . . ?
B2 B8 B9 B5 -2.42(13) . . . . ?
B2 B8 B9 B6 36.52(10) . . . . ?
C3 C4 B13 B13 0.9(8) . . . 7_575 ?
C3 C4 B13 B14 100.1(8) . . . . ?
C3 C4 B13 B17 64.4(7) . . . . ?
C3 C4 B13 B18 -37.2(5) . . . . ?
C3 C4 B14 B13 -97.7(8) . . . . ?
C3 C4 B14 B15 39.3(5) . . . . ?
C3 C4 B14 B16 2.8(9) . . . . ?
C3 C4 B14 B17 -61.4(8) . . . . ?
C3 C4 B15 B14 -134.0(5) . . . . ?
C3 C4 B15 B15 -34.7(4) . . . 7_575 ?
C3 C4 B15 B16 -97.7(3) . . . . ?
C3 C4 B18 C4 37.3(8) . . . 7_575 ?
C3 C4 B18 B13 98.0(3) . . . 7_575 ?
C3 C4 B18 B13 135.4(5) . . . . ?
C3 B4 B13 B13 1.5(12) . . . 7_575 ?
C3 B4 B13 B14 105.5(12) . . . . ?
C3 B4 B13 B17 62.9(11) . . . . ?
C3 B4 B13 B18 -39.9(8) . . . . ?
C3 B4 B14 B13 -106.9(12) . . . . ?
C3 B4 B14 B15 39.1(9) . . . . ?
C3 B4 B14 B16 -2.4(13) . . . . ?
C3 B4 B14 B17 -64.3(12) . . . . ?
C3 B4 B15 B14 -140.4(7) . . . . ?
C3 B4 B15 B15 -36.5(5) . . . 7_575 ?
C3 B4 B15 B16 -97.8(4) . . . . ?
C3 B4 B18 B4 37.2(9) . . . 7_575 ?
C3 B4 B18 B13 98.0(4) . . . 7_575 ?
C3 B4 B18 B13 140.2(7) . . . . ?
C3 B15 B16 B14 -98.55(11) . . . . ?
C3 B15 B16 B14 1.48(14) . . . 7_575 ?
C3 B15 B16 B15 39.34(12) . . . 7_575 ?
C3 B15 B16 B17 -61.48(11) . . . . ?
B3 B1 B2 B6 138.81(11) . . . . ?
B3 B1 B2 B7 37.67(10) . . . . ?
B3 B1 B2 B8 101.06(12) . . . . ?
B3 B1 B5 C1 -2.87(14) . . . . ?
B3 B1 B5 B6 -101.18(12) . . . . ?
B3 B1 B5 B9 -65.02(13) . . . . ?
B3 B1 B5 B10 37.34(10) . . . . ?
B3 B1 B6 B2 -36.93(10) . . . . ?
B3 B1 B6 B5 100.90(11) . . . . ?
B3 B1 B6 B8 0.30(14) . . . . ?
B3 B1 B6 B9 63.96(13) . . . . ?
B3 B1 B10 C1 -98.51(11) . . . . ?
B3 B1 B10 B5 -138.56(11) . . . . ?
B3 B1 B10 B11 -35.83(10) . . . . ?
B3 B2 B6 B1 36.54(10) . . . . ?
B3 B2 B6 B5 -0.95(14) . . . . ?
B3 B2 B6 B8 -101.63(12) . . . . ?
B3 B2 B6 B9 -64.53(14) . . . . ?
B3 B2 B7 C2 98.87(11) . . . . ?
B3 B2 B7 B8 138.20(11) . . . . ?
B3 B2 B7 B11 35.87(10) . . . . ?
B3 B2 B8 C2 1.33(14) . . . . ?
B3 B2 B8 B6 100.33(12) . . . . ?
B3 B2 B8 B7 -37.75(10) . . . . ?
B3 B2 B8 B9 64.45(13) . . . . ?
B3 B7 B8 C2 -97.07(11) . . . . ?
B3 B7 B8 B2 37.26(10) . . . . ?
B3 B7 B8 B6 0.02(13) . . . . ?
B3 B7 B8 B9 -61.52(13) . . . . ?
B3 B7 B11 C1 101.66(11) . . . . ?
B3 B7 B11 C2 134.84(11) . . . . ?
B3 B7 B11 B10 39.19(10) . . . . ?
B3 B10 B11 C1 -134.60(11) . . . . ?
B3 B10 B11 C2 -99.92(11) . . . . ?
B3 B10 B11 B7 -39.17(10) . . . . ?
C4 C3 C4 B13 -1.5(14) 7_575 . . . ?
C4 C3 C4 B14 62.8(13) 7_575 . . . ?
C4 C3 C4 B15 103.5(8) 7_575 . . . ?
C4 C3 C4 B18 -40.0(9) 7_575 . . . ?
C4 C3 B12 C1 21.7(7) . . . 7_575 ?
C4 C3 B12 C1 -21.7(7) 7_575 . . . ?
C4 C3 B12 C1 -163.5(6) . . . . ?
C4 C3 B12 C1 163.5(6) 7_575 . . 7_575 ?
C4 C3 B15 C4 -104.8(10) 7_575 . . . ?
C4 C3 B15 B14 38.8(5) . . . . ?
C4 C3 B15 B14 -65.9(6) 7_575 . . . ?
C4 C3 B15 B15 36.3(6) 7_575 . . 7_575 ?
C4 C3 B15 B15 141.1(5) . . . 7_575 ?
C4 C3 B15 B16 -3.3(6) 7_575 . . . ?
C4 C3 B15 B16 101.4(5) . . . . ?
C4 C3 B18 C4 138.4(10) 7_575 . . . ?
C4 C3 B18 C4 -138.4(10) . . . 7_575 ?
C4 C3 B18 B13 100.5(5) 7_575 . . . ?
C4 C3 B18 B13 -100.5(5) . . . 7_575 ?
C4 C3 B18 B13 37.9(5) 7_575 . . 7_575 ?
C4 C3 B18 B13 -37.9(5) . . . . ?
C4 B13 B14 B15 -39.0(6) . . . . ?
C4 B13 B14 B16 -102.0(6) . . . . ?
C4 B13 B14 B17 -139.7(6) . . . . ?
C4 B13 B17 B13 -103.4(5) . . . 7_575 ?
C4 B13 B17 B14 -66.1(5) . . . 7_575 ?
C4 B13 B17 B14 35.1(5) . . . . ?
C4 B13 B17 B16 -2.4(5) . . . . ?
C4 B13 B18 C3 39.0(6) . . . . ?
C4 B13 B18 C4 101.5(11) . . . 7_575 ?
C4 B13 B18 B13 137.8(6) . . . 7_575 ?
C4 B14 B15 C3 -40.4(6) . . . . ?
C4 B14 B15 B15 -102.0(6) . . . 7_575 ?
C4 B14 B15 B16 -139.4(6) . . . . ?
C4 B14 B16 B14 -64.5(6) . . . 7_575 ?
C4 B14 B16 B15 -0.9(6) . . . 7_575 ?
C4 B14 B16 B15 37.2(6) . . . . ?
C4 B14 B16 B17 -101.0(6) . . . . ?
C4 B14 B17 B13 -36.1(6) . . . . ?
C4 B14 B17 B13 1.2(6) . . . 7_575 ?
C4 B14 B17 B14 65.1(6) . . . 7_575 ?
C4 B14 B17 B16 102.0(6) . . . . ?
C4 B15 B16 B14 -35.1(5) . . . . ?
C4 B15 B16 B14 65.0(5) . . . 7_575 ?
C4 B15 B16 B15 102.8(5) . . . 7_575 ?
C4 B15 B16 B17 2.0(5) . . . . ?
B4 C3 B4 B13 -2.4(19) 7_575 . . . ?
B4 C3 B4 B14 66.7(18) 7_575 . . . ?
B4 C3 B4 B15 105.1(10) 7_575 . . . ?
B4 C3 B4 B18 -41.7(12) 7_575 . . . ?
B4 C3 B12 C1 -161.3(9) . . . . ?
B4 C3 B12 C1 23.9(9) . . . 7_575 ?
B4 C3 B12 C1 -23.9(9) 7_575 . . . ?
B4 C3 B12 C1 161.3(9) 7_575 . . 7_575 ?
B4 C3 B15 B4 -97.4(14) 7_575 . . . ?
B4 C3 B15 B14 -62.6(8) 7_575 . . . ?
B4 C3 B15 B14 34.9(7) . . . . ?
B4 C3 B15 B15 39.7(8) 7_575 . . 7_575 ?
B4 C3 B15 B15 137.1(7) . . . 7_575 ?
B4 C3 B15 B16 0.0(8) 7_575 . . . ?
B4 C3 B15 B16 97.5(7) . . . . ?
B4 C3 B18 B4 132.7(13) 7_575 . . . ?
B4 C3 B18 B4 -132.7(13) . . . 7_575 ?
B4 C3 B18 B13 -35.0(6) . . . . ?
B4 C3 B18 B13 97.7(6) 7_575 . . . ?
B4 C3 B18 B13 -97.7(6) . . . 7_575 ?
B4 C3 B18 B13 35.0(6) 7_575 . . 7_575 ?
B4 B13 B14 B15 -29.6(7) . . . . ?
B4 B13 B14 B16 -92.6(7) . . . . ?
B4 B13 B14 B17 -130.3(7) . . . . ?
B4 B13 B17 B13 -96.0(6) . . . 7_575 ?
B4 B13 B17 B14 42.6(6) . . . . ?
B4 B13 B17 B14 -58.7(6) . . . 7_575 ?
B4 B13 B17 B16 5.0(6) . . . . ?
B4 B13 B18 C3 32.7(7) . . . . ?
B4 B13 B18 B4 89.5(14) . . . 7_575 ?
B4 B13 B18 B13 131.6(7) . . . 7_575 ?
B4 B14 B15 C3 -32.2(7) . . . . ?
B4 B14 B15 B15 -93.7(7) . . . 7_575 ?
B4 B14 B15 B16 -131.1(7) . . . . ?
B4 B14 B16 B14 -61.4(7) . . . 7_575 ?
B4 B14 B16 B15 2.2(7) . . . 7_575 ?
B4 B14 B16 B15 40.4(7) . . . . ?
B4 B14 B16 B17 -97.9(7) . . . . ?
B4 B14 B17 B13 -41.7(7) . . . . ?
B4 B14 B17 B13 -4.4(7) . . . 7_575 ?
B4 B14 B17 B14 59.5(7) . . . 7_575 ?
B4 B14 B17 B16 96.4(7) . . . . ?
B4 B15 B16 B14 -42.6(6) . . . . ?
B4 B15 B16 B14 57.4(6) . . . 7_575 ?
B4 B15 B16 B15 95.3(6) . . . 7_575 ?
B4 B15 B16 B17 -5.5(6) . . . . ?
B5 C1 C2 C2 -148.64(7) . . . 7_575 ?
B5 C1 C2 B7 65.78(13) . . . . ?
B5 C1 C2 B8 -2.36(13) . . . . ?
B5 C1 C2 B9 -38.89(9) . . . . ?
B5 C1 C2 B11 102.97(11) . . . . ?
B5 C1 B9 C2 137.90(10) . . . . ?
B5 C1 B9 B6 40.16(10) . . . . ?
B5 C1 B9 B8 104.44(11) . . . . ?
B5 C1 B10 B1 -40.33(10) . . . . ?
B5 C1 B10 B3 -102.34(11) . . . . ?
B5 C1 B10 B11 -141.36(10) . . . . ?
B5 C1 B11 C2 -103.19(10) . . . . ?
B5 C1 B11 B3 -5.30(13) . . . . ?
B5 C1 B11 B7 -69.41(12) . . . . ?
B5 C1 B11 B10 35.57(10) . . . . ?
B5 C1 B12 C1 141.86(10) . . . 7_575 ?
B5 C1 B12 C3 -33.5(2) . . . . ?
B5 B1 B2 B3 -101.00(12) . . . . ?
B5 B1 B2 B6 37.81(10) . . . . ?
B5 B1 B2 B7 -63.33(14) . . . . ?
B5 B1 B2 B8 0.06(14) . . . . ?
B5 B1 B3 B2 100.76(12) . . . . ?
B5 B1 B3 B7 63.54(13) . . . . ?
B5 B1 B3 B10 -36.86(10) . . . . ?
B5 B1 B3 B11 -0.29(15) . . . . ?
B5 B1 B6 B2 -137.83(11) . . . . ?
B5 B1 B6 B8 -100.60(11) . . . . ?
B5 B1 B6 B9 -36.94(10) . . . . ?
B5 B1 B10 C1 40.05(9) . . . . ?
B5 B1 B10 B3 138.56(11) . . . . ?
B5 B1 B10 B11 102.73(11) . . . . ?
B5 B6 B8 C2 -2.12(14) . . . . ?
B5 B6 B8 B2 -100.59(12) . . . . ?
B5 B6 B8 B7 -63.26(13) . . . . ?
B5 B6 B8 B9 38.04(10) . . . . ?
B5 B6 B9 C1 -39.45(9) . . . . ?
B5 B6 B9 C2 -98.50(11) . . . . ?
B5 B6 B9 B8 -137.45(11) . . . . ?
B5 B10 B11 C1 -34.76(9) . . . . ?
B5 B10 B11 C2 -0.08(13) . . . . ?
B5 B10 B11 B3 99.84(11) . . . . ?
B5 B10 B11 B7 60.67(13) . . . . ?
B6 B1 B2 B3 -138.81(11) . . . . ?
B6 B1 B2 B7 -101.14(11) . . . . ?
B6 B1 B2 B8 -37.75(10) . . . . ?
B6 B1 B3 B2 36.94(10) . . . . ?
B6 B1 B3 B7 -0.29(14) . . . . ?
B6 B1 B3 B10 -100.68(11) . . . . ?
B6 B1 B3 B11 -64.11(14) . . . . ?
B6 B1 B5 C1 98.30(10) . . . . ?
B6 B1 B5 B9 36.16(10) . . . . ?
B6 B1 B5 B10 138.51(11) . . . . ?
B6 B1 B10 C1 2.85(14) . . . . ?
B6 B1 B10 B3 101.36(12) . . . . ?
B6 B1 B10 B5 -37.20(10) . . . . ?
B6 B1 B10 B11 65.52(13) . . . . ?
B6 B2 B3 B1 -36.61(10) . . . . ?
B6 B2 B3 B7 101.58(12) . . . . ?
B6 B2 B3 B10 1.18(15) . . . . ?
B6 B2 B3 B11 64.42(14) . . . . ?
B6 B2 B7 C2 -1.46(14) . . . . ?
B6 B2 B7 B3 -100.33(12) . . . . ?
B6 B2 B7 B8 37.87(10) . . . . ?
B6 B2 B7 B11 -64.47(13) . . . . ?
B6 B2 B8 C2 -99.00(11) . . . . ?
B6 B2 B8 B7 -138.08(11) . . . . ?
B6 B2 B8 B9 -35.88(10) . . . . ?
B6 B5 B9 C1 135.14(10) . . . . ?
B6 B5 B9 C2 99.82(10) . . . . ?
B6 B5 B9 B8 39.19(10) . . . . ?
B6 B5 B10 C1 -96.76(10) . . . . ?
B6 B5 B10 B1 37.27(10) . . . . ?
B6 B5 B10 B3 0.38(14) . . . . ?
B6 B5 B10 B11 -61.86(13) . . . . ?
B6 B8 B9 C1 -101.42(11) . . . . ?
B6 B8 B9 C2 -134.32(11) . . . . ?
B6 B8 B9 B5 -38.94(10) . . . . ?
B7 C2 B8 B2 -39.77(10) . . . . ?
B7 C2 B8 B6 -101.72(12) . . . . ?
B7 C2 B8 B9 -140.74(11) . . . . ?
B7 C2 B9 C1 -103.37(11) . . . . ?
B7 C2 B9 B5 -66.67(12) . . . . ?
B7 C2 B9 B6 -3.18(13) . . . . ?
B7 C2 B9 B8 37.60(10) . . . . ?
B7 C2 B11 C1 140.52(11) . . . . ?
B7 C2 B11 B3 40.34(10) . . . . ?
B7 C2 B11 B10 104.44(11) . . . . ?
B7 B2 B3 B1 -138.20(11) . . . . ?
B7 B2 B3 B10 -100.40(11) . . . . ?
B7 B2 B3 B11 -37.17(10) . . . . ?
B7 B2 B6 B1 100.65(12) . . . . ?
B7 B2 B6 B5 63.16(13) . . . . ?
B7 B2 B6 B8 -37.52(10) . . . . ?
B7 B2 B6 B9 -0.42(14) . . . . ?
B7 B2 B8 C2 39.08(9) . . . . ?
B7 B2 B8 B6 138.08(11) . . . . ?
B7 B2 B8 B9 102.20(11) . . . . ?
B7 B3 B10 C1 -1.61(14) . . . . ?
B7 B3 B10 B1 -101.05(12) . . . . ?
B7 B3 B10 B5 -63.94(13) . . . . ?
B7 B3 B10 B11 38.02(10) . . . . ?
B7 B3 B11 C1 -97.59(11) . . . . ?
B7 B3 B11 C2 -38.57(9) . . . . ?
B7 B3 B11 B10 -137.52(11) . . . . ?
B7 B8 B9 C1 -1.79(13) . . . . ?
B7 B8 B9 C2 -34.69(9) . . . . ?
B7 B8 B9 B5 60.69(13) . . . . ?
B7 B8 B9 B6 99.63(12) . . . . ?
B8 C2 B7 B2 40.03(10) . . . . ?
B8 C2 B7 B3 102.16(11) . . . . ?
B8 C2 B7 B11 140.77(11) . . . . ?
B8 C2 B9 C1 -140.97(10) . . . . ?
B8 C2 B9 B5 -104.26(11) . . . . ?
B8 C2 B9 B6 -40.78(10) . . . . ?
B8 C2 B11 C1 102.89(11) . . . . ?
B8 C2 B11 B3 2.71(14) . . . . ?
B8 C2 B11 B7 -37.63(10) . . . . ?
B8 C2 B11 B10 66.81(12) . . . . ?
B8 B2 B3 B1 -100.77(12) . . . . ?
B8 B2 B3 B7 37.42(10) . . . . ?
B8 B2 B3 B10 -62.98(14) . . . . ?
B8 B2 B3 B11 0.26(15) . . . . ?
B8 B2 B6 B1 138.17(11) . . . . ?
B8 B2 B6 B5 100.68(11) . . . . ?
B8 B2 B6 B9 37.10(10) . . . . ?
B8 B2 B7 C2 -39.33(9) . . . . ?
B8 B2 B7 B3 -138.20(11) . . . . ?
B8 B2 B7 B11 -102.34(11) . . . . ?
B8 B6 B9 C1 97.99(10) . . . . ?
B8 B6 B9 C2 38.95(9) . . . . ?
B8 B6 B9 B5 137.45(11) . . . . ?
B8 B7 B11 C1 1.63(14) . . . . ?
B8 B7 B11 C2 34.80(10) . . . . ?
B8 B7 B11 B3 -100.03(12) . . . . ?
B8 B7 B11 B10 -60.84(14) . . . . ?
B9 C1 C2 C2 -109.75(7) . . . 7_575 ?
B9 C1 C2 B7 104.67(11) . . . . ?
B9 C1 C2 B8 36.53(10) . . . . ?
B9 C1 C2 B11 141.86(10) . . . . ?
B9 C1 B5 B1 -101.15(11) . . . . ?
B9 C1 B5 B6 -38.63(9) . . . . ?
B9 C1 B5 B10 -141.70(10) . . . . ?
B9 C1 B10 B1 -4.70(14) . . . . ?
B9 C1 B10 B3 -66.71(13) . . . . ?
B9 C1 B10 B5 35.63(10) . . . . ?
B9 C1 B10 B11 -105.73(11) . . . . ?
B9 C1 B11 C2 -36.70(9) . . . . ?
B9 C1 B11 B3 61.19(13) . . . . ?
B9 C1 B11 B7 -2.93(13) . . . . ?
B9 C1 B11 B10 102.06(11) . . . . ?
B9 C1 B12 C1 72.96(15) . . . 7_575 ?
B9 C1 B12 C3 -102.45(16) . . . . ?
B9 C2 B7 B2 2.89(14) . . . . ?
B9 C2 B7 B3 65.02(13) . . . . ?
B9 C2 B7 B8 -37.14(10) . . . . ?
B9 C2 B7 B11 103.64(11) . . . . ?
B9 C2 B8 B2 100.96(11) . . . . ?
B9 C2 B8 B6 39.01(10) . . . . ?
B9 C2 B8 B7 140.74(11) . . . . ?
B9 C2 B11 C1 35.61(9) . . . . ?
B9 C2 B11 B3 -64.57(13) . . . . ?
B9 C2 B11 B7 -104.91(11) . . . . ?
B9 C2 B11 B10 -0.47(13) . . . . ?
B9 B5 B6 B1 -138.84(11) . . . . ?
B9 B5 B6 B2 -101.06(11) . . . . ?
B9 B5 B6 B8 -38.06(10) . . . . ?
B9 B5 B10 C1 -34.30(9) . . . . ?
B9 B5 B10 B1 99.72(11) . . . . ?
B9 B5 B10 B3 62.83(13) . . . . ?
B9 B5 B10 B11 0.59(14) . . . . ?
B9 B6 B8 C2 -40.17(10) . . . . ?
B9 B6 B8 B2 -138.63(11) . . . . ?
B9 B6 B8 B7 -101.30(11) . . . . ?
B10 C1 C2 C2 146.08(7) . . . 7_575 ?
B10 C1 C2 B7 0.50(14) . . . . ?
B10 C1 C2 B8 -67.64(13) . . . . ?
B10 C1 C2 B9 -104.17(11) . . . . ?
B10 C1 C2 B11 37.69(10) . . . . ?
B10 C1 B5 B1 40.55(10) . . . . ?
B10 C1 B5 B6 103.07(11) . . . . ?
B10 C1 B5 B9 141.70(10) . . . . ?
B10 C1 B9 C2 102.44(11) . . . . ?
B10 C1 B9 B5 -35.46(10) . . . . ?
B10 C1 B9 B6 4.70(13) . . . . ?
B10 C1 B9 B8 68.98(12) . . . . ?
B10 C1 B11 C2 -138.76(10) . . . . ?
B10 C1 B11 B3 -40.88(10) . . . . ?
B10 C1 B11 B7 -104.99(11) . . . . ?
B10 C1 B12 C1 -132.56(12) . . . 7_575 ?
B10 C1 B12 C3 52.0(2) . . . . ?
B10 B1 B2 B3 -38.13(10) . . . . ?
B10 B1 B2 B6 100.68(11) . . . . ?
B10 B1 B2 B7 -0.46(14) . . . . ?
B10 B1 B2 B8 62.92(14) . . . . ?
B10 B1 B3 B2 137.62(11) . . . . ?
B10 B1 B3 B7 100.40(11) . . . . ?
B10 B1 B3 B11 36.57(10) . . . . ?
B10 B1 B5 C1 -40.21(9) . . . . ?
B10 B1 B5 B6 -138.51(11) . . . . ?
B10 B1 B5 B9 -102.35(11) . . . . ?
B10 B1 B6 B2 -100.99(12) . . . . ?
B10 B1 B6 B5 36.84(10) . . . . ?
B10 B1 B6 B8 -63.76(13) . . . . ?
B10 B1 B6 B9 -0.10(15) . . . . ?
B10 B3 B7 C2 1.89(14) . . . . ?
B10 B3 B7 B2 100.87(12) . . . . ?
B10 B3 B7 B8 63.41(13) . . . . ?
B10 B3 B7 B11 -37.78(10) . . . . ?
B10 B3 B11 C1 39.94(9) . . . . ?
B10 B3 B11 C2 98.95(11) . . . . ?
B10 B3 B11 B7 137.52(11) . . . . ?
B10 B5 B6 B1 -37.42(10) . . . . ?
B10 B5 B6 B2 0.36(14) . . . . ?
B10 B5 B6 B8 63.36(13) . . . . ?
B10 B5 B6 B9 101.41(11) . . . . ?
B10 B5 B9 C1 34.48(9) . . . . ?
B10 B5 B9 C2 -0.84(13) . . . . ?
B10 B5 B9 B6 -100.66(11) . . . . ?
B10 B5 B9 B8 -61.47(13) . . . . ?
B11 C1 C2 C2 108.39(7) . . . 7_575 ?
B11 C1 C2 B7 -37.19(10) . . . . ?
B11 C1 C2 B8 -105.33(11) . . . . ?
B11 C1 C2 B9 -141.86(10) . . . . ?
B11 C1 B5 B1 5.06(13) . . . . ?
B11 C1 B5 B6 67.58(12) . . . . ?
B11 C1 B5 B9 106.21(11) . . . . ?
B11 C1 B5 B10 -35.49(10) . . . . ?
B11 C1 B9 C2 36.45(9) . . . . ?
B11 C1 B9 B5 -101.45(11) . . . . ?
B11 C1 B9 B6 -61.29(13) . . . . ?
B11 C1 B9 B8 2.99(13) . . . . ?
B11 C1 B10 B1 101.03(11) . . . . ?
B11 C1 B10 B3 39.02(10) . . . . ?
B11 C1 B10 B5 141.36(10) . . . . ?
B11 C1 B12 C1 -58.72(17) . . . 7_575 ?
B11 C1 B12 C3 125.87(16) . . . . ?
B11 C2 B7 B2 -100.74(12) . . . . ?
B11 C2 B7 B3 -38.62(10) . . . . ?
B11 C2 B7 B8 -140.77(11) . . . . ?
B11 C2 B8 B2 -2.51(13) . . . . ?
B11 C2 B8 B6 -64.46(13) . . . . ?
B11 C2 B8 B7 37.26(10) . . . . ?
B11 C2 B8 B9 -103.48(11) . . . . ?
B11 C2 B9 C1 -35.89(9) . . . . ?
B11 C2 B9 B5 0.82(13) . . . . ?
B11 C2 B9 B6 64.30(12) . . . . ?
B11 C2 B9 B8 105.08(11) . . . . ?
B11 B3 B7 C2 39.67(10) . . . . ?
B11 B3 B7 B2 138.65(11) . . . . ?
B11 B3 B7 B8 101.19(11) . . . . ?
B11 B3 B10 C1 -39.62(10) . . . . ?
B11 B3 B10 B1 -139.07(11) . . . . ?
B11 B3 B10 B5 -101.95(11) . . . . ?
B11 B7 B8 C2 -35.45(10) . . . . ?
B11 B7 B8 B2 98.87(12) . . . . ?
B11 B7 B8 B6 61.64(13) . . . . ?
B11 B7 B8 B9 0.10(14) . . . . ?
B12 C1 C2 C2 -4.26(10) . . . 7_575 ?
B12 C1 C2 B7 -149.84(11) . . . . ?
B12 C1 C2 B8 142.02(11) . . . . ?
B12 C1 C2 B9 105.49(11) . . . . ?
B12 C1 C2 B11 -112.65(12) . . . . ?
B12 C1 B5 B1 165.47(13) . . . . ?
B12 C1 B5 B6 -132.01(14) . . . . ?
B12 C1 B5 B9 -93.38(14) . . . . ?
B12 C1 B5 B10 124.92(15) . . . . ?
B12 C1 B9 C2 -96.92(11) . . . . ?
B12 C1 B9 B5 125.18(12) . . . . ?
B12 C1 B9 B6 165.34(11) . . . . ?
B12 C1 B9 B8 -130.39(11) . . . . ?
B12 C1 B10 B1 -159.03(14) . . . . ?
B12 C1 B10 B3 138.96(15) . . . . ?
B12 C1 B10 B5 -118.70(16) . . . . ?
B12 C1 B10 B11 99.94(16) . . . . ?
B12 C1 B11 C2 93.56(12) . . . . ?
B12 C1 B11 B3 -168.55(11) . . . . ?
B12 C1 B11 B7 127.33(12) . . . . ?
B12 C1 B11 B10 -127.68(12) . . . . ?
B12 C3 C4 B13 142.2(4) . . . . ?
B12 C3 C4 B14 -153.5(5) . . . . ?
B12 C3 C4 B15 -112.8(3) . . . . ?
B12 C3 C4 B18 103.7(4) . . . . ?
B12 C3 B4 B13 140.6(7) . . . . ?
B12 C3 B4 B14 -150.3(7) . . . . ?
B12 C3 B4 B15 -112.0(4) . . . . ?
B12 C3 B4 B18 101.3(5) . . . . ?
B12 C3 B15 C4 106.9(5) . . . . ?
B12 C3 B15 B4 110.9(7) . . . . ?
B12 C3 B15 B14 145.72(10) . . . . ?
B12 C3 B15 B15 -111.99(12) . . . 7_575 ?
B12 C3 B15 B16 -151.67(10) . . . . ?
B12 C3 B18 C4 -110.8(5) . . . . ?
B12 C3 B18 C4 110.8(5) . . . 7_575 ?
B12 C3 B18 B4 -113.6(6) . . . . ?
B12 C3 B18 B4 113.6(6) . . . 7_575 ?
B12 C3 B18 B13 148.66(7) . . . 7_575 ?
B12 C3 B18 B13 -148.66(7) . . . . ?
B13 C4 B14 B15 137.0(6) . . . . ?
B13 C4 B14 B16 100.5(4) . . . . ?
B13 C4 B14 B17 36.3(5) . . . . ?
B13 C4 B15 C3 94.2(8) . . . . ?
B13 C4 B15 B14 -39.9(5) . . . . ?
B13 C4 B15 B15 59.4(8) . . . 7_575 ?
B13 C4 B15 B16 -3.6(9) . . . . ?
B13 C4 B18 C3 -135.4(5) . . . . ?
B13 C4 B18 C4 -98.2(7) . . . 7_575 ?
B13 C4 B18 B13 -37.5(5) . . . 7_575 ?
B13 B4 B14 B15 146.1(7) . . . . ?
B13 B4 B14 B16 104.5(4) . . . . ?
B13 B4 B14 B17 42.6(5) . . . . ?
B13 B4 B15 C3 107.4(11) . . . . ?
B13 B4 B15 B14 -33.1(7) . . . . ?
B13 B4 B15 B15 70.9(10) . . . 7_575 ?
B13 B4 B15 B16 9.5(11) . . . . ?
B13 B4 B18 C3 -140.2(7) . . . . ?
B13 B4 B18 B4 -103.0(7) . . . 7_575 ?
B13 B4 B18 B13 -42.2(5) . . . 7_575 ?
B13 B13 B14 C4 102.7(6) 7_575 . . . ?
B13 B13 B14 B4 93.3(7) 7_575 . . . ?
B13 B13 B14 B15 63.66(10) 7_575 . . . ?
B13 B13 B14 B16 0.70(11) 7_575 . . . ?
B13 B13 B14 B17 -37.01(8) 7_575 . . . ?
B13 B13 B17 B14 37.31(7) 7_575 . . 7_575 ?
B13 B13 B17 B14 138.54(9) 7_575 . . . ?
B13 B13 B17 B16 101.00(9) 7_575 . . . ?
B13 B13 B18 C3 -98.84(8) 7_575 . . . ?
B13 B13 B18 C4 -137.8(6) 7_575 . . . ?
B13 B13 B18 C4 -36.3(5) 7_575 . . 7_575 ?
B13 B13 B18 B4 -131.6(7) 7_575 . . . ?
B13 B13 B18 B4 -42.1(7) 7_575 . . 7_575 ?
B13 B14 B15 C3 -2.13(13) . . . . ?
B13 B14 B15 C4 38.3(6) . . . . ?
B13 B14 B15 B4 30.0(7) . . . . ?
B13 B14 B15 B15 -63.64(10) . . . 7_575 ?
B13 B14 B15 B16 -101.06(12) . . . . ?
B13 B14 B16 B14 -1.12(18) . . . 7_575 ?
B13 B14 B16 B15 100.65(11) . . . . ?
B13 B14 B16 B15 62.52(14) . . . 7_575 ?
B13 B14 B16 B17 -37.57(11) . . . . ?
B13 B14 B17 B13 37.28(10) . . . 7_575 ?
B13 B14 B17 B14 101.18(14) . . . 7_575 ?
B13 B14 B17 B16 138.12(12) . . . . ?
B14 C4 B13 B13 -99.2(3) . . . 7_575 ?
B14 C4 B13 B17 -35.7(5) . . . . ?
B14 C4 B13 B18 -137.3(6) . . . . ?
B14 C4 B15 C3 134.0(5) . . . . ?
B14 C4 B15 B15 99.3(3) . . . 7_575 ?
B14 C4 B15 B16 36.3(5) . . . . ?
B14 C4 B18 C3 -96.2(8) . . . . ?
B14 C4 B18 C4 -58.9(12) . . . 7_575 ?
B14 C4 B18 B13 1.8(9) . . . 7_575 ?
B14 C4 B18 B13 39.2(5) . . . . ?
B14 B4 B13 B13 -104.0(3) . . . 7_575 ?
B14 B4 B13 B17 -42.5(5) . . . . ?
B14 B4 B13 B18 -145.3(7) . . . . ?
B14 B4 B15 C3 140.4(7) . . . . ?
B14 B4 B15 B15 103.9(3) . . . 7_575 ?
B14 B4 B15 B16 42.6(5) . . . . ?
B14 B4 B18 C3 -106.3(12) . . . . ?
B14 B4 B18 B4 -69.1(15) . . . 7_575 ?
B14 B4 B18 B13 -8.3(12) . . . 7_575 ?
B14 B4 B18 B13 33.9(8) . . . . ?
B14 B13 B17 B13 -138.54(9) . . . 7_575 ?
B14 B13 B17 B14 -101.23(15) . . . 7_575 ?
B14 B13 B17 B16 -37.54(8) . . . . ?
B14 B13 B18 C3 1.55(12) . . . . ?
B14 B13 B18 C4 -37.4(6) . . . . ?
B14 B13 B18 C4 64.1(6) . . . 7_575 ?
B14 B13 B18 B4 -31.2(7) . . . . ?
B14 B13 B18 B4 58.3(7) . . . 7_575 ?
B14 B13 B18 B13 100.39(10) . . . 7_575 ?
B14 B15 B16 B14 100.02(15) . . . 7_575 ?
B14 B15 B16 B15 137.89(9) . . . 7_575 ?
B14 B15 B16 B17 37.07(8) . . . . ?
B14 B16 B17 B13 101.31(12) . . . 7_575 ?
B14 B16 B17 B13 -37.59(9) 7_575 . . 7_575 ?
B14 B16 B17 B13 -101.31(12) 7_575 . . . ?
B14 B16 B17 B13 37.59(9) . . . . ?
B14 B16 B17 B14 138.90(15) . . . 7_575 ?
B14 B16 B17 B14 -138.90(15) 7_575 . . . ?
B15 C3 C4 B13 -105.0(7) . . . . ?
B15 C3 C4 B13 -68.2(8) 7_575 . . . ?
B15 C3 C4 B14 -40.7(6) . . . . ?
B15 C3 C4 B14 -3.9(9) 7_575 . . . ?
B15 C3 C4 B15 36.8(5) 7_575 . . . ?
B15 C3 C4 B18 -106.7(3) 7_575 . . . ?
B15 C3 C4 B18 -143.5(5) . . . . ?
B15 C3 B4 B13 -107.4(11) . . . . ?
B15 C3 B4 B13 -67.5(12) 7_575 . . . ?
B15 C3 B4 B14 -38.3(8) . . . . ?
B15 C3 B4 B14 1.6(14) 7_575 . . . ?
B15 C3 B4 B15 39.9(6) 7_575 . . . ?
B15 C3 B4 B18 -146.7(6) . . . . ?
B15 C3 B4 B18 -106.8(4) 7_575 . . . ?
B15 C3 B12 C1 124.83(13) . . . . ?
B15 C3 B12 C1 -50.0(2) . . . 7_575 ?
B15 C3 B12 C1 50.0(2) 7_575 . . . ?
B15 C3 B12 C1 -124.83(13) 7_575 . . 7_575 ?
B15 C3 B15 C4 -141.1(5) 7_575 . . . ?
B15 C3 B15 B4 -137.1(7) 7_575 . . . ?
B15 C3 B15 B14 -102.29(9) 7_575 . . . ?
B15 C3 B15 B16 -39.69(12) 7_575 . . . ?
B15 C3 B18 C4 -103.6(5) . . . 7_575 ?
B15 C3 B18 C4 34.8(5) . . . . ?
B15 C3 B18 C4 -34.7(5) 7_575 . . 7_575 ?
B15 C3 B18 C4 103.6(5) 7_575 . . . ?
B15 C3 B18 B4 100.8(6) 7_575 . . . ?
B15 C3 B18 B4 -31.9(6) 7_575 . . 7_575 ?
B15 C3 B18 B4 -100.8(6) . . . 7_575 ?
B15 C3 B18 B4 31.9(6) . . . . ?
B15 C3 B18 B13 3.10(11) 7_575 . . 7_575 ?
B15 C3 B18 B13 65.78(9) 7_575 . . . ?
B15 C3 B18 B13 -65.78(9) . . . 7_575 ?
B15 C3 B18 B13 -3.10(11) . . . . ?
B15 C4 B13 B13 -59.8(8) . . . 7_575 ?
B15 C4 B13 B14 39.4(5) . . . . ?
B15 C4 B13 B17 3.7(9) . . . . ?
B15 C4 B13 B18 -97.9(8) . . . . ?
B15 C4 B14 B13 -137.0(6) . . . . ?
B15 C4 B14 B16 -36.4(5) . . . . ?
B15 C4 B14 B17 -100.7(3) . . . . ?
B15 C4 B18 C3 -31.8(4) . . . . ?
B15 C4 B18 C4 5.5(12) . . . 7_575 ?
B15 C4 B18 B13 103.7(7) . . . . ?
B15 C4 B18 B13 66.2(7) . . . 7_575 ?
B15 B4 B13 B13 -70.8(10) . . . 7_575 ?
B15 B4 B13 B14 33.2(7) . . . . ?
B15 B4 B13 B17 -9.3(11) . . . . ?
B15 B4 B13 B18 -112.1(11) . . . . ?
B15 B4 B14 B13 -146.1(7) . . . . ?
B15 B4 B14 B16 -41.5(5) . . . . ?
B15 B4 B14 B17 -103.4(4) . . . . ?
B15 B4 B18 C3 -34.7(7) . . . . ?
B15 B4 B18 B4 2.5(15) . . . 7_575 ?
B15 B4 B18 B13 105.5(10) . . . . ?
B15 B4 B18 B13 63.2(10) . . . 7_575 ?
B15 B14 B16 B14 -101.78(13) . . . 7_575 ?
B15 B14 B16 B15 -38.13(10) . . . 7_575 ?
B15 B14 B16 B17 -138.22(12) . . . . ?
B15 B14 B17 B13 -101.03(11) . . . . ?
B15 B14 B17 B13 -63.75(14) . . . 7_575 ?
B15 B14 B17 B14 0.14(18) . . . 7_575 ?
B15 B14 B17 B16 37.09(11) . . . . ?
B15 B15 B16 B14 -37.87(7) 7_575 . . 7_575 ?
B15 B15 B16 B14 -137.89(9) 7_575 . . . ?
B15 B15 B16 B17 -100.82(9) 7_575 . . . ?
B15 B16 B17 B13 -63.94(9) 7_575 . . . ?
B15 B16 B17 B13 63.94(9) . . . 7_575 ?
B15 B16 B17 B13 0.22(11) . . . . ?
B15 B16 B17 B13 -0.23(11) 7_575 . . 7_575 ?
B15 B16 B17 B14 -101.53(11) 7_575 . . . ?
B15 B16 B17 B14 -37.37(9) . . . . ?
B15 B16 B17 B14 37.37(9) 7_575 . . 7_575 ?
B15 B16 B17 B14 101.53(11) . . . 7_575 ?
B16 B14 B15 C3 98.92(11) . . . . ?
B16 B14 B15 C4 139.4(6) . . . . ?
B16 B14 B15 B4 131.1(7) . . . . ?
B16 B14 B15 B15 37.42(8) . . . 7_575 ?
B16 B14 B17 B13 -138.12(12) . . . . ?
B16 B14 B17 B13 -100.84(13) . . . 7_575 ?
B16 B14 B17 B14 -36.95(13) . . . 7_575 ?
B17 B13 B14 C4 139.7(6) . . . . ?
B17 B13 B14 B4 130.3(7) . . . . ?
B17 B13 B14 B15 100.66(12) . . . . ?
B17 B13 B14 B16 37.70(11) . . . . ?
B17 B13 B18 C3 -61.56(12) . . . . ?
B17 B13 B18 C4 -100.5(6) . . . . ?
B17 B13 B18 C4 1.0(6) . . . 7_575 ?
B17 B13 B18 B4 -94.3(7) . . . . ?
B17 B13 B18 B4 -4.8(7) . . . 7_575 ?
B17 B13 B18 B13 37.28(13) . . . 7_575 ?
B17 B14 B15 C3 61.42(13) . . . . ?
B17 B14 B15 C4 101.9(6) . . . . ?
B17 B14 B15 B4 93.6(7) . . . . ?
B17 B14 B15 B15 -0.09(11) . . . 7_575 ?
B17 B14 B15 B16 -37.51(11) . . . . ?
B17 B14 B16 B14 36.44(13) . . . 7_575 ?
B17 B14 B16 B15 100.09(13) . . . 7_575 ?
B17 B14 B16 B15 138.22(12) . . . . ?
B18 C3 C4 B13 38.5(5) . . . . ?
B18 C3 C4 B14 102.8(8) . . . . ?
B18 C3 C4 B15 143.5(5) . . . . ?
B18 C3 B4 B13 39.3(8) . . . . ?
B18 C3 B4 B14 108.4(12) . . . . ?
B18 C3 B4 B15 146.7(6) . . . . ?
B18 C3 B12 C1 92.61(14) . . . 7_575 ?
B18 C3 B12 C1 -92.61(14) . . . . ?
B18 C3 B15 C4 -35.5(5) . . . . ?
B18 C3 B15 B4 -31.5(7) . . . . ?
B18 C3 B15 B14 3.33(12) . . . . ?
B18 C3 B15 B15 105.62(9) . . . 7_575 ?
B18 C3 B15 B16 65.93(12) . . . . ?
B18 C4 B13 B13 38.1(4) . . . 7_575 ?
B18 C4 B13 B14 137.3(6) . . . . ?
B18 C4 B13 B17 101.6(3) . . . . ?
B18 C4 B14 B13 -38.1(5) . . . . ?
B18 C4 B14 B15 98.9(8) . . . . ?
B18 C4 B14 B16 62.4(9) . . . . ?
B18 C4 B14 B17 -1.8(9) . . . . ?
B18 C4 B15 C3 31.3(4) . . . . ?
B18 C4 B15 B14 -102.7(7) . . . . ?
B18 C4 B15 B15 -3.4(7) . . . 7_575 ?
B18 C4 B15 B16 -66.4(7) . . . . ?
B18 B4 B13 B13 41.3(5) . . . 7_575 ?
B18 B4 B13 B14 145.3(7) . . . . ?
B18 B4 B13 B17 102.8(4) . . . . ?
B18 B4 B14 B13 -34.4(8) . . . . ?
B18 B4 B14 B15 111.6(12) . . . . ?
B18 B4 B14 B16 70.1(12) . . . . ?
B18 B4 B14 B17 8.2(12) . . . . ?
B18 B4 B15 C3 34.8(7) . . . . ?
B18 B4 B15 B14 -105.6(11) . . . . ?
B18 B4 B15 B15 -1.7(10) . . . 7_575 ?
B18 B4 B15 B16 -63.0(10) . . . . ?
B18 B13 B14 C4 39.4(6) . . . . ?
B18 B13 B14 B4 30.0(7) . . . . ?
B18 B13 B14 B15 0.38(14) . . . . ?
B18 B13 B14 B16 -62.58(13) . . . . ?
B18 B13 B14 B17 -100.29(12) . . . . ?
B18 B13 B17 B13 -37.23(13) . . . 7_575 ?
B18 B13 B17 B14 0.07(16) . . . 7_575 ?
B18 B13 B17 B14 101.30(12) . . . . ?
B18 B13 B17 B16 63.77(12) . . . . ?

_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_4a
_database_code_depnum_ccdc_archive 'CCDC 2382930'
loop_
_audit_author_name
_audit_author_address
'Qing Ye'
;University of Wuerzburg
Germany
;
_audit_update_record             
;
2024-09-10 deposited with the CCDC.	2024-10-03 downloaded from the CCDC.
;

_audit_creation_method           'CIF-fill 1.5e (K.Radacki, 2005-23)'
_audit_creation_date             2024-08-26
_shelx_SHELXL_version_number     2019/1
_chemical_formula_moiety         'C26 H46 B31 O P'
_chemical_formula_sum            'C26 H46 B31 O P'
_chemical_formula_weight         740.71
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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


_cell_length_a                   13.9904(2)
_cell_length_b                   17.1121(2)
_cell_length_c                   19.3321(2)
_cell_angle_alpha                90
_cell_angle_beta                 109.8020(10)
_cell_angle_gamma                90
_cell_volume                     4354.53(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    30429
_cell_measurement_theta_min      3.4130
_cell_measurement_theta_max      72.8000

_exptl_crystal_description       block
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_density_diffrn    1.130
_exptl_crystal_F_000             1520
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    0.720
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_correction_T_min  0.498
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   
;
 CrysAlisPro 1.171.43.89a (Rigaku Oxford Diffraction, 2023) Numerical 
 absorption correction based on gaussian integration over a multifaceted 
 crystal model Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_preparation       
;
 For data collection the crystal was immersed in a film of perfluoropolyether 
 oil, mounted on a polyimide loop and transferred to stream of cold nitrogen 
 (Oxford Cryostream 800).
;
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 1 0 0.1598
0 -1 0 0.0896
0 -1 1 0.1666
-1 -1 -1 0.1195
1 1 1 0.1427
1 1 0 0.1197
1 1 -1 0.1055
0 0 -1 0.0792
1 0 -1 0.0584
-1 0 1 0.0620
1 0 0 0.1526
-1 0 -1 0.0976
1 0 1 0.1743
1 -1 -1 0.0980
-1 1 1 0.1205
-1 1 0 0.1385
1 -1 0 0.1463
-1 1 -1 0.1271
1 -1 1 0.1693
0 -1 -1 0.0969
0 1 1 0.1462

_shelx_estimated_absorpt_T_min   0.813
_shelx_estimated_absorpt_T_max   0.919
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_xray_symbol    K-L~2,3~
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_source                   'rotating-anode X-ray tube'
_diffrn_source_type              'PhotonJet-R X-ray Source'
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Rigaku XtaLAB Synergy-R'
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_details      
;
 List of Runs (angles in degrees, time in seconds):
 --------------------------------------------------------------------------
  1  ω   -104.00 -79.00   0.50    0.05    --  -58.00 -49.00 133.01   50
  2  ω   -121.00 -94.00   0.50    0.05    --  -78.50 -59.00  67.98   54
  3  ω   -117.00 -91.00   0.50    0.05    --  -74.00 -54.00   6.91   52
  4  ω   -124.00 -98.00   0.50    0.05    --  -78.50 -48.00  28.92   52
  5  ω   -122.00 -97.00   0.50    0.05    --  -78.50 -57.00 -12.85   50
  6  ω    -99.00 -71.00   0.50    0.05    --  -54.00 -50.00-116.94   56
  7  ω   -116.00 -88.00   0.50    0.05    --  -70.00 -44.00-149.68   56
  8  ω   -121.00 -92.00   0.50    0.05    --  -74.00 -42.00-131.45   58
  9  ω   -124.00 -98.00   0.50    0.05    --  -78.50 -48.00-166.52   52
 10  ω   -124.00 -97.00   0.50    0.05    --  -78.50 -49.00-102.88   54
 11  ω   -121.00 -96.00   0.50    0.05    --  -74.00 -42.00 -64.15   50
 12  ω   -120.00 -93.00   0.50    0.05    --  -74.00 -35.00 -40.75   54
 13  ω   -126.00-101.00   0.50    0.05    --  -78.50 -40.00 -41.14   50
 14  ω   -125.00 -97.00   0.50    0.05    --  -78.50 -41.00 161.66   56
 15  ω   -108.00 -83.00   0.50    0.05    --  -62.00 -47.00 113.54   50
 16  ω     -6.00  20.00   0.50    0.05    --  -14.00  78.00  88.12   52
 17  ω    -90.00 -26.00   0.50    0.05    --  -69.75 120.00 125.00  128
 18  ω    -80.00 -17.00   0.50    0.05    --  -60.27 120.00 125.00  126
 19  ω    -95.00 -32.00   0.50    0.05    --  -75.18 120.00 125.00  126
 20  ω    -86.00 -60.00   0.50    0.05    --  -78.50 114.00 110.96   52
 21  ω    -78.00 -52.00   0.50    0.05    --  -78.50 110.00  66.26   52
 22  ω    -61.00 -35.00   0.50    0.05    --  -78.50 121.00  60.43   52
 23  ω    -99.00 -70.00   0.50    0.05    --  -78.50 121.00  60.43   58
 24  ω    -72.00 -35.00   0.50    0.05    --  -78.50 128.00 -99.57   74
 25  ω    -83.00 -32.00   0.50    0.05    --  -74.00 109.00 -98.44  102
 26  ω     55.00  83.00   0.50    0.05    --   38.00  51.00 -61.53   56
 27  ω     45.00  98.00   0.50    0.05    --   80.80-119.00  58.09  106
 28  ω     28.00  91.00   0.50    0.05    --   71.40-120.00  41.00  126
 29  ω     34.00  97.00   0.50    0.05    --   76.88-120.00  41.00  126
 30  ω     65.00  98.00   0.50    0.05    --   80.80-115.00  92.32   66
 31  ω     16.00  79.00   0.50    0.05    --   58.63-120.00  41.00  126
 32  ω     41.00  98.00   0.50    0.05    --   80.80-118.00-169.50  114
 33  ω     40.00  79.00   0.50    0.05    --   80.80-105.00-129.89   78
 34  ω     20.00  46.00   0.50    0.05    --    6.00  63.00-138.32   52
;
_diffrn_orient_matrix_type       
;
 CrysAlisPro convention (1999,Acta A55,543-557)
;
_diffrn_orient_matrix_UB_11      -0.0966419000
_diffrn_orient_matrix_UB_12      0.0102187000
_diffrn_orient_matrix_UB_13      0.0202112000
_diffrn_orient_matrix_UB_21      0.0029499000
_diffrn_orient_matrix_UB_22      0.0887540000
_diffrn_orient_matrix_UB_23      -0.0126833000
_diffrn_orient_matrix_UB_31      -0.0659843000
_diffrn_orient_matrix_UB_32      -0.0111736000
_diffrn_orient_matrix_UB_33      -0.0812817000
_diffrn_detector                 HPA
_diffrn_detector_type            'HyPix Arc150'
_diffrn_detector_area_resol_mean 10.0
_diffrn_reflns_number            42906
_diffrn_reflns_av_unetI/netI     0.0168
_diffrn_reflns_av_R_equivalents  0.0204
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         3.413
_diffrn_reflns_theta_max         73.103
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.960
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.960
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             8374
_reflns_number_gt                7819
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal class for the 
 calculation of statistics and refinement. Structure factors included 
 contributions from the .fab file. _reflns_Friedel_fraction is defined as the 
 number of unique Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and systematic 
 absences.
;

_computing_data_collection       
;
 CrysAlisPro system (CCD 43.128a 64-bit (release 20-06-2024))
;
_computing_cell_refinement       'CrysAlisPro 1.171.43.89a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.43.89a (Rigaku OD, 2023)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_molecular_graphics    'ShelXLe (Huebschle et all, 2011)'
_computing_publication_material  'SHELXL-2019/1 (Sheldrick, 2019)'

_refine_special_details          
;
 The unit cell contains solvent molecules which have been treated as a 
 diffuse contribution to the overall scattering without specific atom 
 positions by SQUEEZE/PLATON.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0550P)²+2.0385P] where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8374
_refine_ls_number_parameters     532
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0381
_refine_ls_wR_factor_ref         0.1032
_refine_ls_wR_factor_gt          0.1018
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.342
_refine_diff_density_min         -0.289
_refine_diff_density_rms         0.042
_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
P1 P 0.43570(2) 0.37624(2) 0.72514(2) 0.01323(8) Uani 1 1 d . . . . .
O1 O 0.28305(6) 0.40311(5) 0.82139(4) 0.01421(17) Uani 1 1 d . . . . .
C1 C 0.52991(9) 0.31719(7) 0.70585(7) 0.0164(2) Uani 1 1 d . . . . .
B1 B 0.21786(10) 0.40815(8) 0.87028(7) 0.0141(3) Uani 1 1 d . . . . .
C2 C 0.51822(10) 0.29491(8) 0.63427(7) 0.0205(3) Uani 1 1 d . . . . .
H2 H 0.459343 0.309901 0.594705 0.025 Uiso 1 1 calc R U . . .
B2 B 0.25632(11) 0.57202(8) 0.86869(8) 0.0184(3) Uani 1 1 d . . . . .
H2A H 0.260323 0.568292 0.811894 0.022 Uiso 1 1 calc R U . . .
C3 C 0.59353(11) 0.25050(8) 0.62117(8) 0.0264(3) Uani 1 1 d . . . . .
H3 H 0.585925 0.234647 0.572498 0.032 Uiso 1 1 calc R U . . .
B3 B 0.32108(12) 0.64483(9) 0.92922(9) 0.0230(3) Uani 1 1 d . . . . .
H3A H 0.368310 0.689666 0.913462 0.028 Uiso 1 1 calc R U . . .
C4 C 0.67927(11) 0.22940(8) 0.67871(9) 0.0290(3) Uani 1 1 d . . . . .
H4 H 0.731063 0.199995 0.669184 0.035 Uiso 1 1 calc R U . . .
B4 B 0.24906(12) 0.66854(9) 0.98705(9) 0.0259(3) Uani 1 1 d . . . . .
H4A H 0.248439 0.728902 1.009287 0.031 Uiso 1 1 calc R U . . .
C5 C 0.69069(11) 0.25060(9) 0.75022(9) 0.0293(3) Uani 1 1 d . . . . .
H5 H 0.749590 0.235096 0.789520 0.035 Uiso 1 1 calc R U . . .
B5 B 0.18521(12) 0.64638(9) 0.89267(9) 0.0230(3) Uani 1 1 d . . . . .
H5A H 0.141509 0.691248 0.852059 0.028 Uiso 1 1 calc R U . . .
C6 C 0.61586(10) 0.29458(8) 0.76440(8) 0.0229(3) Uani 1 1 d . . . . .
H6 H 0.623039 0.309111 0.813339 0.027 Uiso 1 1 calc R U . . .
B6 B 0.35768(11) 0.60618(9) 1.01961(8) 0.0227(3) Uani 1 1 d . . . . .
H6A H 0.429009 0.625681 1.063555 0.027 Uiso 1 1 calc R U . . .
C7 C 0.32598(9) 0.38924(7) 0.64482(6) 0.0149(2) Uani 1 1 d . . . . .
B7 B 0.24589(12) 0.58365(9) 1.03945(8) 0.0228(3) Uani 1 1 d . . . . .
H7 H 0.243130 0.588190 1.096542 0.027 Uiso 1 1 calc R U . . .
C8 C 0.33043(10) 0.43995(7) 0.58892(7) 0.0190(3) Uani 1 1 d . . . . .
H8 H 0.391463 0.467128 0.593418 0.023 Uiso 1 1 calc R U . . .
B8 B 0.31497(11) 0.50809(9) 1.01357(8) 0.0189(3) Uani 1 1 d . . . . .
H8A H 0.358277 0.462046 1.052931 0.023 Uiso 1 1 calc R U . . .
C9 C 0.24490(10) 0.44997(8) 0.52708(7) 0.0220(3) Uani 1 1 d . . . . .
H9 H 0.247469 0.483855 0.488824 0.026 Uiso 1 1 calc R U . . .
B9 B 0.18150(11) 0.50975(9) 0.97948(8) 0.0186(3) Uani 1 1 d . . . . .
H9A H 0.136119 0.464476 0.996557 0.022 Uiso 1 1 calc R U . . .
C10 C 0.15551(10) 0.41075(8) 0.52080(7) 0.0219(3) Uani 1 1 d . . . . .
H10 H 0.097078 0.418091 0.478365 0.026 Uiso 1 1 calc R U . . .
B10 B 0.13840(12) 0.60809(9) 0.96099(9) 0.0228(3) Uani 1 1 d . . . . .
H10A H 0.064095 0.627698 0.965032 0.027 Uiso 1 1 calc R U . . .
C11 C 0.15112(10) 0.36093(8) 0.57614(7) 0.0213(3) Uani 1 1 d . . . . .
H11 H 0.089579 0.334554 0.571724 0.026 Uiso 1 1 calc R U . . .
B11 B 0.17219(11) 0.25429(9) 0.93676(8) 0.0189(3) Uani 1 1 d . . . . .
H11A H 0.091161 0.262673 0.932951 0.023 Uiso 1 1 calc R U . . .
C12 C 0.23639(9) 0.34946(7) 0.63802(7) 0.0175(2) Uani 1 1 d . . . . .
H12 H 0.233679 0.314630 0.675571 0.021 Uiso 1 1 calc R U . . .
B12 B 0.20702(10) 0.24602(8) 0.85707(8) 0.0174(3) Uani 1 1 d . . . . .
H12A H 0.149793 0.249311 0.800264 0.021 Uiso 1 1 calc R U . . .
C13 C 0.40615(9) 0.32320(7) 0.79346(6) 0.0152(2) Uani 1 1 d . . . . .
H13 H 0.441614 0.275188 0.807228 0.018 Uiso 1 1 calc R U . . .
B13 B 0.21787(11) 0.16373(9) 0.91364(8) 0.0212(3) Uani 1 1 d . . . . .
H13A H 0.167190 0.111654 0.894858 0.025 Uiso 1 1 calc R U . . .
C14 C 0.34112(9) 0.34017(7) 0.82916(6) 0.0137(2) Uani 1 1 d . . . . .
B14 B 0.25914(11) 0.19703(9) 1.00672(8) 0.0214(3) Uani 1 1 d . . . . .
H14 H 0.235390 0.166335 1.049439 0.026 Uiso 1 1 calc R U . . .
C15 C 0.24454(9) 0.32567(7) 0.91625(6) 0.0146(2) Uani 1 1 d . . . . .
B15 B 0.34907(11) 0.15451(9) 0.97067(8) 0.0214(3) Uani 1 1 d . . . . .
H15 H 0.384743 0.096193 0.989504 0.026 Uiso 1 1 calc R U . . .
C16 C 0.32693(9) 0.28443(7) 0.88444(6) 0.0147(2) Uani 1 1 d . . . . .
B16 B 0.31670(11) 0.18525(8) 0.87761(8) 0.0189(3) Uani 1 1 d . . . . .
H16 H 0.331568 0.148487 0.834408 0.023 Uiso 1 1 calc R U . . .
C17 C 0.48889(9) 0.47135(7) 0.75416(6) 0.0158(2) Uani 1 1 d . . . . .
B17 B 0.27285(11) 0.30030(9) 1.00695(7) 0.0181(3) Uani 1 1 d . . . . .
H17 H 0.257571 0.338735 1.048930 0.022 Uiso 1 1 calc R U . . .
C18 C 0.58962(10) 0.48852(8) 0.76430(8) 0.0266(3) Uani 1 1 d . . . . .
H18 H 0.633170 0.449465 0.756537 0.032 Uiso 1 1 calc R U . . .
B18 B 0.37218(10) 0.32137(8) 0.97203(7) 0.0161(3) Uani 1 1 d . . . . .
H18A H 0.422653 0.373650 0.990230 0.019 Uiso 1 1 calc R U . . .
C19 C 0.62627(11) 0.56320(9) 0.78588(10) 0.0347(4) Uani 1 1 d . . . . .
H19 H 0.695303 0.575121 0.793116 0.042 Uiso 1 1 calc R U . . .
B19 B 0.38283(11) 0.23897(9) 1.02853(8) 0.0194(3) Uani 1 1 d . . . . .
H19A H 0.440442 0.236274 1.085219 0.023 Uiso 1 1 calc R U . . .
C20 C 0.56317(11) 0.62037(8) 0.79692(8) 0.0243(3) Uani 1 1 d . . . . .
H20 H 0.588782 0.671422 0.811502 0.029 Uiso 1 1 calc R U . . .
B20 B 0.41798(11) 0.23164(8) 0.94812(8) 0.0177(3) Uani 1 1 d . . . . .
H20A H 0.498691 0.225011 0.950534 0.021 Uiso 1 1 calc R U . . .
C21 C 0.46286(11) 0.60325(8) 0.78675(8) 0.0236(3) Uani 1 1 d . . . . .
H21 H 0.419577 0.642454 0.794640 0.028 Uiso 1 1 calc R U . . .
B21 B 0.36028(11) 0.54474(9) 0.94524(8) 0.0183(3) Uani 1 1 d . . . . .
H21A H 0.432516 0.522264 0.939687 0.022 Uiso 1 1 calc R U . . .
C22 C 0.42534(10) 0.52909(8) 0.76511(8) 0.0235(3) Uani 1 1 d . . . . .
H22 H 0.356161 0.517521 0.757697 0.028 Uiso 1 1 calc R U . . .
B22 B 0.08440(11) 0.49070(9) 0.74886(8) 0.0211(3) Uani 1 1 d . . . . .
H22A H 0.150251 0.512487 0.733793 0.025 Uiso 1 1 calc R U . . .
C23 C 0.24837(9) 0.49037(7) 0.92024(6) 0.0155(2) Uani 1 1 d . . . . .
B23 B -0.03578(12) 0.48067(11) 0.68261(8) 0.0285(3) Uani 1 1 d . . . . .
H23 H -0.050588 0.495796 0.623524 0.034 Uiso 1 1 calc R U . . .
C24 C 0.09575(9) 0.42111(7) 0.81688(6) 0.0158(2) Uani 1 1 d . . . . .
B24 B -0.12777(12) 0.49808(12) 0.72563(9) 0.0328(4) Uani 1 1 d . . . . .
H24 H -0.203250 0.525023 0.695020 0.039 Uiso 1 1 calc R U . . .
C25 C 0.06276(9) 0.51085(8) 0.83126(7) 0.0188(3) Uani 1 1 d . . . . .
B25 B -0.09688(11) 0.40059(11) 0.70807(8) 0.0271(3) Uani 1 1 d . . . . .
H25 H -0.152079 0.362912 0.665699 0.032 Uiso 1 1 calc R U . . .
C26 C 0.14974(9) 0.55029(8) 0.89175(7) 0.0177(3) Uani 1 1 d . . . . .
B26 B -0.01446(12) 0.55466(11) 0.75207(9) 0.0285(3) Uani 1 1 d . . . . .
H26 H -0.013467 0.618636 0.740106 0.034 Uiso 1 1 calc R U . . .
B27 B -0.06326(11) 0.51855(11) 0.82039(9) 0.0274(3) Uani 1 1 d . . . . .
H27 H -0.094351 0.559025 0.853075 0.033 Uiso 1 1 calc R U . . .
B28 B 0.00534(11) 0.43277(9) 0.85975(8) 0.0207(3) Uani 1 1 d . . . . .
H28 H 0.018895 0.415946 0.918297 0.025 Uiso 1 1 calc R U . . .
B29 B -0.11440(11) 0.42365(11) 0.79240(9) 0.0270(3) Uani 1 1 d . . . . .
H29 H -0.181338 0.401274 0.805767 0.032 Uiso 1 1 calc R U . . .
B30 B -0.01255(11) 0.36131(10) 0.79160(8) 0.0209(3) Uani 1 1 d . . . . .
H30 H -0.010515 0.297451 0.804737 0.025 Uiso 1 1 calc R U . . .
B31 B 0.03620(11) 0.39639(10) 0.72484(8) 0.0209(3) Uani 1 1 d . . . . .
H31 H 0.070381 0.355225 0.694651 0.025 Uiso 1 1 calc R U . . .


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
P1 C13 1.7633(12) . ?
P1 C7 1.7895(12) . ?
P1 C1 1.7974(12) . ?
P1 C17 1.7984(13) . ?
O1 C14 1.3265(14) . ?
O1 B1 1.5221(14) . ?
C1 C2 1.3904(18) . ?
C1 C6 1.3982(18) . ?
B1 C15 1.6421(18) . ?
B1 C23 1.6778(18) . ?
B1 C24 1.6848(17) . ?
C2 C3 1.3902(18) . ?
C2 H2 0.9500 . ?
B2 C26 1.7352(18) . ?
B2 B3 1.739(2) . ?
B2 C23 1.7415(18) . ?
B2 B21 1.751(2) . ?
B2 B5 1.771(2) . ?
B2 H2A 1.1200 . ?
C3 C4 1.379(2) . ?
C3 H3 0.9500 . ?
B3 B6 1.774(2) . ?
B3 B4 1.787(2) . ?
B3 B5 1.790(2) . ?
B3 B21 1.793(2) . ?
B3 H3A 1.1200 . ?
C4 C5 1.385(2) . ?
C4 H4 0.9500 . ?
B4 B5 1.779(2) . ?
B4 B7 1.780(2) . ?
B4 B10 1.787(2) . ?
B4 B6 1.788(2) . ?
B4 H4A 1.1200 . ?
C5 C6 1.3900(19) . ?
C5 H5 0.9500 . ?
B5 C26 1.716(2) . ?
B5 B10 1.786(2) . ?
B5 H5A 1.1200 . ?
C6 H6 0.9500 . ?
B6 B8 1.772(2) . ?
B6 B7 1.774(2) . ?
B6 B21 1.791(2) . ?
B6 H6A 1.1200 . ?
C7 C12 1.3928(17) . ?
C7 C8 1.4037(17) . ?
B7 B9 1.746(2) . ?
B7 B8 1.784(2) . ?
B7 B10 1.787(2) . ?
B7 H7 1.1200 . ?
C8 C9 1.3861(18) . ?
C8 H8 0.9500 . ?
B8 C23 1.7541(18) . ?
B8 B9 1.757(2) . ?
B8 B21 1.763(2) . ?
B8 H8A 1.1200 . ?
C9 C10 1.3879(19) . ?
C9 H9 0.9500 . ?
B9 C23 1.7386(18) . ?
B9 C26 1.7449(18) . ?
B9 B10 1.782(2) . ?
B9 H9A 1.1200 . ?
C10 C11 1.3856(18) . ?
C10 H10 0.9500 . ?
B10 C26 1.7144(19) . ?
B10 H10A 1.1200 . ?
C11 C12 1.3876(18) . ?
C11 H11 0.9500 . ?
B11 C15 1.7164(18) . ?
B11 B12 1.772(2) . ?
B11 B17 1.775(2) . ?
B11 B14 1.776(2) . ?
B11 B13 1.790(2) . ?
B11 H11A 1.1200 . ?
C12 H12 0.9500 . ?
B12 C16 1.7103(18) . ?
B12 C15 1.7422(18) . ?
B12 B13 1.758(2) . ?
B12 B16 1.783(2) . ?
B12 H12A 1.1200 . ?
C13 C14 1.3469(17) . ?
C13 H13 0.9500 . ?
B13 B16 1.785(2) . ?
B13 B14 1.787(2) . ?
B13 B15 1.800(2) . ?
B13 H13A 1.1200 . ?
C14 C16 1.4950(16) . ?
B14 B17 1.777(2) . ?
B14 B15 1.787(2) . ?
B14 B19 1.787(2) . ?
B14 H14 1.1200 . ?
C15 C16 1.6386(16) . ?
C15 B17 1.7173(17) . ?
C15 B18 1.7471(18) . ?
B15 B20 1.774(2) . ?
B15 B16 1.779(2) . ?
B15 B19 1.790(2) . ?
B15 H15 1.1200 . ?
C16 B20 1.7005(18) . ?
C16 B16 1.7045(18) . ?
C16 B18 1.7149(17) . ?
B16 B20 1.785(2) . ?
B16 H16 1.1200 . ?
C17 C18 1.3869(18) . ?
C17 C22 1.3924(18) . ?
B17 B18 1.7756(19) . ?
B17 B19 1.791(2) . ?
B17 H17 1.1200 . ?
C18 C19 1.387(2) . ?
C18 H18 0.9500 . ?
B18 B19 1.759(2) . ?
B18 B20 1.784(2) . ?
B18 H18A 1.1200 . ?
C19 C20 1.382(2) . ?
C19 H19 0.9500 . ?
B19 B20 1.787(2) . ?
B19 H19A 1.1200 . ?
C20 C21 1.3810(19) . ?
C20 H20 0.9500 . ?
B20 H20A 1.1200 . ?
C21 C22 1.3829(19) . ?
C21 H21 0.9500 . ?
B21 C23 1.7430(18) . ?
B21 H21A 1.1200 . ?
C22 H22 0.9500 . ?
B22 C24 1.7409(19) . ?
B22 B23 1.743(2) . ?
B22 B31 1.750(2) . ?
B22 C25 1.7536(19) . ?
B22 B26 1.781(2) . ?
B22 H22A 1.1200 . ?
C23 C26 1.6564(16) . ?
B23 B25 1.771(3) . ?
B23 B24 1.778(2) . ?
B23 B31 1.790(2) . ?
B23 B26 1.795(2) . ?
B23 H23 1.1200 . ?
C24 C25 1.6538(17) . ?
C24 B31 1.7422(18) . ?
C24 B28 1.7426(18) . ?
C24 B30 1.7551(19) . ?
B24 B29 1.778(3) . ?
B24 B26 1.778(3) . ?
B24 B27 1.781(2) . ?
B24 B25 1.785(3) . ?
B24 H24 1.1200 . ?
C25 C26 1.5295(17) . ?
C25 B27 1.7085(19) . ?
C25 B26 1.7183(19) . ?
C25 B28 1.742(2) . ?
B25 B29 1.773(2) . ?
B25 B30 1.778(2) . ?
B25 B31 1.780(2) . ?
B25 H25 1.1200 . ?
B26 B27 1.790(2) . ?
B26 H26 1.1200 . ?
B27 B28 1.778(2) . ?
B27 B29 1.783(2) . ?
B27 H27 1.1200 . ?
B28 B29 1.746(2) . ?
B28 B30 1.752(2) . ?
B28 H28 1.1200 . ?
B29 B30 1.784(2) . ?
B29 H29 1.1200 . ?
B30 B31 1.757(2) . ?
B30 H30 1.1200 . ?
B31 H31 1.1200 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C13 P1 C7 111.35(6) . . ?
C13 P1 C1 103.92(6) . . ?
C7 P1 C1 111.32(6) . . ?
C13 P1 C17 114.17(6) . . ?
C7 P1 C17 107.51(6) . . ?
C1 P1 C17 108.57(6) . . ?
C14 O1 B1 116.65(9) . . ?
C2 C1 C6 120.59(12) . . ?
C2 C1 P1 120.89(10) . . ?
C6 C1 P1 118.52(10) . . ?
O1 B1 C15 102.31(9) . . ?
O1 B1 C23 108.42(9) . . ?
C15 B1 C23 116.26(10) . . ?
O1 B1 C24 108.88(9) . . ?
C15 B1 C24 116.24(10) . . ?
C23 B1 C24 104.46(9) . . ?
C3 C2 C1 119.36(13) . . ?
C3 C2 H2 120.3 . . ?
C1 C2 H2 120.3 . . ?
C26 B2 B3 106.13(10) . . ?
C26 B2 C23 56.90(7) . . ?
B3 B2 C23 108.03(10) . . ?
C26 B2 B21 105.41(10) . . ?
B3 B2 B21 61.83(9) . . ?
C23 B2 B21 59.88(8) . . ?
C26 B2 B5 58.60(8) . . ?
B3 B2 B5 61.31(9) . . ?
C23 B2 B5 106.03(10) . . ?
B21 B2 B5 110.47(10) . . ?
C26 B2 H2A 124.9 . . ?
B3 B2 H2A 120.9 . . ?
C23 B2 H2A 123.3 . . ?
B21 B2 H2A 120.7 . . ?
B5 B2 H2A 121.1 . . ?
C4 C3 C2 120.13(13) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
B2 B3 B6 107.85(11) . . ?
B2 B3 B4 107.94(11) . . ?
B6 B3 B4 60.27(9) . . ?
B2 B3 B5 60.23(8) . . ?
B6 B3 B5 107.94(11) . . ?
B4 B3 B5 59.67(9) . . ?
B2 B3 B21 59.40(8) . . ?
B6 B3 B21 60.29(8) . . ?
B4 B3 B21 108.24(11) . . ?
B5 B3 B21 107.71(10) . . ?
B2 B3 H3A 121.9 . . ?
B6 B3 H3A 121.6 . . ?
B4 B3 H3A 121.6 . . ?
B5 B3 H3A 121.9 . . ?
B21 B3 H3A 121.8 . . ?
C3 C4 C5 120.73(12) . . ?
C3 C4 H4 119.6 . . ?
C5 C4 H4 119.6 . . ?
B5 B4 B7 108.00(11) . . ?
B5 B4 B10 60.09(9) . . ?
B7 B4 B10 60.12(9) . . ?
B5 B4 B3 60.24(9) . . ?
B7 B4 B3 107.39(11) . . ?
B10 B4 B3 108.09(11) . . ?
B5 B4 B6 107.78(10) . . ?
B7 B4 B6 59.65(9) . . ?
B10 B4 B6 107.80(11) . . ?
B3 B4 B6 59.51(9) . . ?
B5 B4 H4A 121.6 . . ?
B7 B4 H4A 122.0 . . ?
B10 B4 H4A 121.6 . . ?
B3 B4 H4A 121.9 . . ?
B6 B4 H4A 122.1 . . ?
C4 C5 C6 119.92(13) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C26 B5 B2 59.66(8) . . ?
C26 B5 B4 104.94(11) . . ?
B2 B5 B4 106.87(11) . . ?
C26 B5 B10 58.59(8) . . ?
B2 B5 B10 108.01(11) . . ?
B4 B5 B10 60.16(9) . . ?
C26 B5 B3 104.75(10) . . ?
B2 B5 B3 58.47(8) . . ?
B4 B5 B3 60.08(9) . . ?
B10 B5 B3 108.01(11) . . ?
C26 B5 H5A 124.2 . . ?
B2 B5 H5A 122.0 . . ?
B4 B5 H5A 122.5 . . ?
B10 B5 H5A 121.3 . . ?
B3 B5 H5A 122.8 . . ?
C5 C6 C1 119.26(13) . . ?
C5 C6 H6 120.4 . . ?
C1 C6 H6 120.4 . . ?
B8 B6 B3 108.05(10) . . ?
B8 B6 B7 60.41(8) . . ?
B3 B6 B7 108.21(11) . . ?
B8 B6 B4 108.34(10) . . ?
B3 B6 B4 60.22(9) . . ?
B7 B6 B4 59.96(9) . . ?
B8 B6 B21 59.29(8) . . ?
B3 B6 B21 60.38(8) . . ?
B7 B6 B21 107.76(10) . . ?
B4 B6 B21 108.28(10) . . ?
B8 B6 H6A 121.7 . . ?
B3 B6 H6A 121.4 . . ?
B7 B6 H6A 121.7 . . ?
B4 B6 H6A 121.5 . . ?
B21 B6 H6A 121.9 . . ?
C12 C7 C8 120.18(11) . . ?
C12 C7 P1 120.08(9) . . ?
C8 C7 P1 119.75(9) . . ?
B9 B7 B6 107.95(10) . . ?
B9 B7 B4 108.66(11) . . ?
B6 B7 B4 60.39(9) . . ?
B9 B7 B8 59.70(8) . . ?
B6 B7 B8 59.74(8) . . ?
B4 B7 B8 108.15(10) . . ?
B9 B7 B10 60.60(8) . . ?
B6 B7 B10 108.40(11) . . ?
B4 B7 B10 60.13(9) . . ?
B8 B7 B10 108.16(10) . . ?
B9 B7 H7 121.5 . . ?
B6 B7 H7 121.7 . . ?
B4 B7 H7 121.3 . . ?
B8 B7 H7 122.0 . . ?
B10 B7 H7 121.4 . . ?
C9 C8 C7 119.33(12) . . ?
C9 C8 H8 120.3 . . ?
C7 C8 H8 120.3 . . ?
C23 B8 B9 59.36(7) . . ?
C23 B8 B21 59.42(7) . . ?
B9 B8 B21 108.62(10) . . ?
C23 B8 B6 106.33(10) . . ?
B9 B8 B6 107.52(11) . . ?
B21 B8 B6 60.89(8) . . ?
C23 B8 B7 105.32(10) . . ?
B9 B8 B7 59.05(8) . . ?
B21 B8 B7 108.58(11) . . ?
B6 B8 B7 59.85(8) . . ?
C23 B8 H8A 123.6 . . ?
B9 B8 H8A 121.9 . . ?
B21 B8 H8A 120.7 . . ?
B6 B8 H8A 121.9 . . ?
B7 B8 H8A 122.6 . . ?
C8 C9 C10 120.32(12) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 H9 119.8 . . ?
C23 B9 C26 56.78(7) . . ?
C23 B9 B7 107.70(10) . . ?
C26 B9 B7 105.18(10) . . ?
C23 B9 B8 60.23(7) . . ?
C26 B9 B8 105.03(10) . . ?
B7 B9 B8 61.25(8) . . ?
C23 B9 B10 105.60(10) . . ?
C26 B9 B10 58.15(8) . . ?
B7 B9 B10 60.84(9) . . ?
B8 B9 B10 109.56(11) . . ?
C23 B9 H9A 123.2 . . ?
C26 B9 H9A 125.3 . . ?
B7 B9 H9A 121.5 . . ?
B8 B9 H9A 121.0 . . ?
B10 B9 H9A 121.7 . . ?
C11 C10 C9 120.28(12) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C26 B10 B9 59.83(8) . . ?
C26 B10 B5 58.68(8) . . ?
B9 B10 B5 108.11(10) . . ?
C26 B10 B7 104.71(10) . . ?
B9 B10 B7 58.56(8) . . ?
B5 B10 B7 107.44(11) . . ?
C26 B10 B4 104.69(10) . . ?
B9 B10 B4 106.74(10) . . ?
B5 B10 B4 59.75(9) . . ?
B7 B10 B4 59.76(9) . . ?
C26 B10 H10A 124.1 . . ?
B9 B10 H10A 121.9 . . ?
B5 B10 H10A 121.6 . . ?
B7 B10 H10A 123.0 . . ?
B4 B10 H10A 122.9 . . ?
C10 C11 C12 120.17(12) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C15 B11 B12 59.90(7) . . ?
C15 B11 B17 58.90(7) . . ?
B12 B11 B17 108.63(10) . . ?
C15 B11 B14 105.25(10) . . ?
B12 B11 B14 107.39(10) . . ?
B17 B11 B14 60.08(8) . . ?
C15 B11 B13 105.66(10) . . ?
B12 B11 B13 59.13(8) . . ?
B17 B11 B13 108.49(10) . . ?
B14 B11 B13 60.14(8) . . ?
C15 B11 H11A 123.8 . . ?
B12 B11 H11A 121.6 . . ?
B17 B11 H11A 121.1 . . ?
B14 B11 H11A 122.5 . . ?
B13 B11 H11A 122.3 . . ?
C11 C12 C7 119.71(11) . . ?
C11 C12 H12 120.1 . . ?
C7 C12 H12 120.1 . . ?
C16 B12 C15 56.66(7) . . ?
C16 B12 B13 104.27(10) . . ?
C15 B12 B13 105.95(10) . . ?
C16 B12 B11 103.30(9) . . ?
C15 B12 B11 58.47(7) . . ?
B13 B12 B11 60.94(8) . . ?
C16 B12 B16 58.36(7) . . ?
C15 B12 B16 105.35(9) . . ?
B13 B12 B16 60.52(8) . . ?
B11 B12 B16 108.80(10) . . ?
C16 B12 H12A 125.8 . . ?
C15 B12 H12A 124.1 . . ?
B13 B12 H12A 122.2 . . ?
B11 B12 H12A 122.2 . . ?
B16 B12 H12A 121.5 . . ?
C14 C13 P1 130.04(10) . . ?
C14 C13 H13 115.0 . . ?
P1 C13 H13 115.0 . . ?
B12 B13 B16 60.46(8) . . ?
B12 B13 B14 107.55(10) . . ?
B16 B13 B14 107.37(10) . . ?
B12 B13 B11 59.93(8) . . ?
B16 B13 B11 107.96(10) . . ?
B14 B13 B11 59.55(8) . . ?
B12 B13 B15 107.86(10) . . ?
B16 B13 B15 59.53(8) . . ?
B14 B13 B15 59.76(8) . . ?
B11 B13 B15 107.42(10) . . ?
B12 B13 H13A 121.6 . . ?
B16 B13 H13A 121.8 . . ?
B14 B13 H13A 122.2 . . ?
B11 B13 H13A 122.0 . . ?
B15 B13 H13A 122.1 . . ?
O1 C14 C13 127.67(11) . . ?
O1 C14 C16 111.99(10) . . ?
C13 C14 C16 120.33(11) . . ?
B11 B14 B17 59.93(8) . . ?
B11 B14 B13 60.31(8) . . ?
B17 B14 B13 108.51(10) . . ?
B11 B14 B15 108.60(10) . . ?
B17 B14 B15 108.44(10) . . ?
B13 B14 B15 60.48(8) . . ?
B11 B14 B19 108.48(10) . . ?
B17 B14 B19 60.34(8) . . ?
B13 B14 B19 108.81(10) . . ?
B15 B14 B19 60.13(8) . . ?
B11 B14 H14 121.5 . . ?
B17 B14 H14 121.5 . . ?
B13 B14 H14 121.2 . . ?
B15 B14 H14 121.4 . . ?
B19 B14 H14 121.3 . . ?
C16 C15 B1 103.11(9) . . ?
C16 C15 B11 108.97(9) . . ?
B1 C15 B11 133.87(10) . . ?
C16 C15 B17 109.03(9) . . ?
B1 C15 B17 134.53(10) . . ?
B11 C15 B17 62.24(8) . . ?
C16 C15 B12 60.69(7) . . ?
B1 C15 B12 110.76(9) . . ?
B11 C15 B12 61.63(8) . . ?
B17 C15 B12 112.75(10) . . ?
C16 C15 B18 60.76(7) . . ?
B1 C15 B18 111.57(9) . . ?
B11 C15 B18 112.76(9) . . ?
B17 C15 B18 61.66(7) . . ?
B12 C15 B18 112.95(9) . . ?
B20 B15 B16 60.32(8) . . ?
B20 B15 B14 107.82(10) . . ?
B16 B15 B14 107.59(10) . . ?
B20 B15 B19 60.17(8) . . ?
B16 B15 B19 108.42(10) . . ?
B14 B15 B19 59.94(8) . . ?
B20 B15 B13 108.10(10) . . ?
B16 B15 B13 59.82(8) . . ?
B14 B15 B13 59.76(8) . . ?
B19 B15 B13 108.09(10) . . ?
B20 B15 H15 121.6 . . ?
B16 B15 H15 121.7 . . ?
B14 B15 H15 122.1 . . ?
B19 B15 H15 121.5 . . ?
B13 B15 H15 121.8 . . ?
C14 C16 C15 105.91(9) . . ?
C14 C16 B20 127.45(10) . . ?
C15 C16 B20 114.00(9) . . ?
C14 C16 B16 127.44(10) . . ?
C15 C16 B16 113.99(9) . . ?
B20 C16 B16 63.24(8) . . ?
C14 C16 B12 112.20(9) . . ?
C15 C16 B12 62.65(8) . . ?
B20 C16 B12 115.82(10) . . ?
B16 C16 B12 62.97(8) . . ?
C14 C16 B18 112.12(10) . . ?
C15 C16 B18 62.75(7) . . ?
B20 C16 B18 62.97(8) . . ?
B16 C16 B18 115.89(9) . . ?
B12 C16 B18 116.26(9) . . ?
C16 B16 B15 103.30(10) . . ?
C16 B16 B12 58.67(7) . . ?
B15 B16 B12 107.61(10) . . ?
C16 B16 B13 103.36(10) . . ?
B15 B16 B13 60.65(8) . . ?
B12 B16 B13 59.02(8) . . ?
C16 B16 B20 58.27(7) . . ?
B15 B16 B20 59.68(8) . . ?
B12 B16 B20 108.14(10) . . ?
B13 B16 B20 108.26(10) . . ?
C16 B16 H16 125.8 . . ?
B15 B16 H16 122.7 . . ?
B12 B16 H16 121.6 . . ?
B13 B16 H16 122.6 . . ?
B20 B16 H16 121.3 . . ?
C18 C17 C22 119.91(12) . . ?
C18 C17 P1 121.94(10) . . ?
C22 C17 P1 118.13(9) . . ?
C15 B17 B11 58.85(7) . . ?
C15 B17 B18 60.00(7) . . ?
B11 B17 B18 108.66(10) . . ?
C15 B17 B14 105.15(10) . . ?
B11 B17 B14 59.99(8) . . ?
B18 B17 B14 107.37(10) . . ?
C15 B17 B19 105.59(9) . . ?
B11 B17 B19 108.34(10) . . ?
B18 B17 B19 59.09(8) . . ?
B14 B17 B19 60.10(8) . . ?
C15 B17 H17 123.8 . . ?
B11 B17 H17 121.2 . . ?
B18 B17 H17 121.5 . . ?
B14 B17 H17 122.6 . . ?
B19 B17 H17 122.3 . . ?
C17 C18 C19 119.47(13) . . ?
C17 C18 H18 120.3 . . ?
C19 C18 H18 120.3 . . ?
C16 B18 C15 56.49(7) . . ?
C16 B18 B19 104.06(10) . . ?
C15 B18 B19 105.72(10) . . ?
C16 B18 B17 103.05(9) . . ?
C15 B18 B17 58.34(7) . . ?
B19 B18 B17 60.90(8) . . ?
C16 B18 B20 58.12(7) . . ?
C15 B18 B20 104.96(9) . . ?
B19 B18 B20 60.56(8) . . ?
B17 B18 B20 108.65(10) . . ?
C16 B18 H18A 126.0 . . ?
C15 B18 H18A 124.3 . . ?
B19 B18 H18A 122.2 . . ?
B17 B18 H18A 122.3 . . ?
B20 B18 H18A 121.7 . . ?
C20 C19 C18 120.54(13) . . ?
C20 C19 H19 119.7 . . ?
C18 C19 H19 119.7 . . ?
B18 B19 B20 60.41(8) . . ?
B18 B19 B14 107.69(10) . . ?
B20 B19 B14 107.25(10) . . ?
B18 B19 B15 108.08(10) . . ?
B20 B19 B15 59.46(8) . . ?
B14 B19 B15 59.93(8) . . ?
B18 B19 B17 60.01(8) . . ?
B20 B19 B17 107.84(9) . . ?
B14 B19 B17 59.57(8) . . ?
B15 B19 B17 107.67(10) . . ?
B18 B19 H19A 121.5 . . ?
B20 B19 H19A 122.0 . . ?
B14 B19 H19A 122.2 . . ?
B15 B19 H19A 121.9 . . ?
B17 B19 H19A 121.9 . . ?
C21 C20 C19 119.95(13) . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C16 B20 B15 103.71(10) . . ?
C16 B20 B18 58.91(7) . . ?
B15 B20 B18 107.70(10) . . ?
C16 B20 B16 58.49(8) . . ?
B15 B20 B16 59.99(8) . . ?
B18 B20 B16 108.58(10) . . ?
C16 B20 B19 103.48(9) . . ?
B15 B20 B19 60.37(8) . . ?
B18 B20 B19 59.02(8) . . ?
B16 B20 B19 108.32(10) . . ?
C16 B20 H20A 125.5 . . ?
B15 B20 H20A 122.6 . . ?
B18 B20 H20A 121.5 . . ?
B16 B20 H20A 121.0 . . ?
B19 B20 H20A 122.8 . . ?
C20 C21 C22 120.07(12) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C23 B21 B2 59.80(8) . . ?
C23 B21 B8 60.04(7) . . ?
B2 B21 B8 108.76(10) . . ?
C23 B21 B6 105.98(9) . . ?
B2 B21 B6 106.56(10) . . ?
B8 B21 B6 59.81(8) . . ?
C23 B21 B3 105.58(10) . . ?
B2 B21 B3 58.76(8) . . ?
B8 B21 B3 107.62(10) . . ?
B6 B21 B3 59.33(9) . . ?
C23 B21 H21A 123.0 . . ?
B2 B21 H21A 121.9 . . ?
B8 B21 H21A 121.0 . . ?
B6 B21 H21A 122.9 . . ?
B3 B21 H21A 123.0 . . ?
C21 C22 C17 120.05(12) . . ?
C21 C22 H22 120.0 . . ?
C17 C22 H22 120.0 . . ?
C24 B22 B23 107.82(11) . . ?
C24 B22 B31 59.87(8) . . ?
B23 B22 B31 61.65(9) . . ?
C24 B22 C25 56.49(7) . . ?
B23 B22 C25 105.45(10) . . ?
B31 B22 C25 104.64(10) . . ?
C24 B22 B26 105.49(10) . . ?
B23 B22 B26 61.25(9) . . ?
B31 B22 B26 109.99(11) . . ?
C25 B22 B26 58.16(8) . . ?
C24 B22 H22A 123.5 . . ?
B23 B22 H22A 121.0 . . ?
B31 B22 H22A 121.0 . . ?
C25 B22 H22A 125.5 . . ?
B26 B22 H22A 121.4 . . ?
C26 C23 B1 107.87(9) . . ?
C26 C23 B9 61.80(7) . . ?
B1 C23 B9 116.77(10) . . ?
C26 C23 B2 61.36(7) . . ?
B1 C23 B2 113.36(9) . . ?
B9 C23 B2 112.14(9) . . ?
C26 C23 B21 109.31(9) . . ?
B1 C23 B21 129.55(10) . . ?
B9 C23 B21 110.41(9) . . ?
B2 C23 B21 60.32(8) . . ?
C26 C23 B8 109.11(9) . . ?
B1 C23 B8 132.84(10) . . ?
B9 C23 B8 60.41(8) . . ?
B2 C23 B8 109.59(10) . . ?
B21 C23 B8 60.54(8) . . ?
B22 B23 B25 107.96(11) . . ?
B22 B23 B24 108.10(11) . . ?
B25 B23 B24 60.38(10) . . ?
B22 B23 B31 59.37(9) . . ?
B25 B23 B31 59.98(9) . . ?
B24 B23 B31 107.83(12) . . ?
B22 B23 B26 60.43(9) . . ?
B25 B23 B26 108.14(11) . . ?
B24 B23 B26 59.68(10) . . ?
B31 B23 B26 107.57(10) . . ?
B22 B23 H23 121.7 . . ?
B25 B23 H23 121.5 . . ?
B24 B23 H23 121.7 . . ?
B31 B23 H23 122.2 . . ?
B26 B23 H23 121.8 . . ?
C25 C24 B1 107.58(9) . . ?
C25 C24 B22 62.14(8) . . ?
B1 C24 B22 111.52(9) . . ?
C25 C24 B31 109.46(9) . . ?
B1 C24 B31 128.95(10) . . ?
B22 C24 B31 60.33(8) . . ?
C25 C24 B28 61.64(8) . . ?
B1 C24 B28 118.19(9) . . ?
B22 C24 B28 112.69(10) . . ?
B31 C24 B28 109.91(9) . . ?
C25 C24 B30 108.93(9) . . ?
B1 C24 B30 133.98(10) . . ?
B22 C24 B30 109.83(9) . . ?
B31 C24 B30 60.33(8) . . ?
B28 C24 B30 60.13(8) . . ?
B29 B24 B23 107.74(12) . . ?
B29 B24 B26 108.49(11) . . ?
B23 B24 B26 60.64(10) . . ?
B29 B24 B27 60.14(10) . . ?
B23 B24 B27 108.61(11) . . ?
B26 B24 B27 60.37(9) . . ?
B29 B24 B25 59.71(10) . . ?
B23 B24 B25 59.61(10) . . ?
B26 B24 B25 108.29(11) . . ?
B27 B24 B25 107.97(12) . . ?
B29 B24 H24 121.8 . . ?
B23 B24 H24 121.6 . . ?
B26 B24 H24 121.1 . . ?
B27 B24 H24 121.4 . . ?
B25 B24 H24 122.0 . . ?
C26 C25 C24 110.07(9) . . ?
C26 C25 B27 125.50(11) . . ?
C24 C25 B27 112.71(11) . . ?
C26 C25 B26 125.86(12) . . ?
C24 C25 B26 112.48(10) . . ?
B27 C25 B26 62.97(9) . . ?
C26 C25 B28 115.43(10) . . ?
C24 C25 B28 61.69(8) . . ?
B27 C25 B28 62.02(9) . . ?
B26 C25 B28 113.47(11) . . ?
C26 C25 B22 116.34(10) . . ?
C24 C25 B22 61.37(8) . . ?
B27 C25 B22 113.08(10) . . ?
B26 C25 B22 61.73(8) . . ?
B28 C25 B22 112.12(10) . . ?
B23 B25 B29 108.26(12) . . ?
B23 B25 B30 108.10(11) . . ?
B29 B25 B30 60.32(9) . . ?
B23 B25 B31 60.54(9) . . ?
B29 B25 B31 107.66(10) . . ?
B30 B25 B31 59.20(8) . . ?
B23 B25 B24 60.02(10) . . ?
B29 B25 B24 59.95(10) . . ?
B30 B25 B24 108.04(11) . . ?
B31 B25 B24 107.99(12) . . ?
B23 B25 H25 121.4 . . ?
B29 B25 H25 121.7 . . ?
B30 B25 H25 121.8 . . ?
B31 B25 H25 122.0 . . ?
B24 B25 H25 121.7 . . ?
C25 C26 C23 109.79(10) . . ?
C25 C26 B10 126.25(10) . . ?
C23 C26 B10 112.62(10) . . ?
C25 C26 B5 125.67(11) . . ?
C23 C26 B5 112.60(10) . . ?
B10 C26 B5 62.74(9) . . ?
C25 C26 B2 115.38(10) . . ?
C23 C26 B2 61.74(7) . . ?
B10 C26 B2 113.07(10) . . ?
B5 C26 B2 61.75(8) . . ?
C25 C26 B9 116.26(10) . . ?
C23 C26 B9 61.42(7) . . ?
B10 C26 B9 62.02(8) . . ?
B5 C26 B9 113.16(10) . . ?
B2 C26 B9 112.14(9) . . ?
C25 B26 B24 104.40(12) . . ?
C25 B26 B22 60.11(8) . . ?
B24 B26 B22 106.42(12) . . ?
C25 B26 B27 58.25(8) . . ?
B24 B26 B27 59.89(10) . . ?
B22 B26 B27 107.96(11) . . ?
C25 B26 B23 104.69(11) . . ?
B24 B26 B23 59.68(10) . . ?
B22 B26 B23 58.32(9) . . ?
B27 B26 B23 107.47(13) . . ?
C25 B26 H26 124.2 . . ?
B24 B26 H26 123.0 . . ?
B22 B26 H26 122.0 . . ?
B27 B26 H26 121.6 . . ?
B23 B26 H26 123.1 . . ?
C25 B27 B28 59.91(8) . . ?
C25 B27 B24 104.69(11) . . ?
B28 B27 B24 106.85(12) . . ?
C25 B27 B29 104.97(11) . . ?
B28 B27 B29 58.72(9) . . ?
B24 B27 B29 59.83(10) . . ?
C25 B27 B26 58.78(8) . . ?
B28 B27 B26 108.38(11) . . ?
B24 B27 B26 59.73(10) . . ?
B29 B27 B26 107.74(11) . . ?
C25 B27 H27 124.1 . . ?
B28 B27 H27 121.7 . . ?
B24 B27 H27 122.9 . . ?
B29 B27 H27 122.8 . . ?
B26 B27 H27 121.4 . . ?
C25 B28 C24 56.67(7) . . ?
C25 B28 B29 105.16(11) . . ?
C24 B28 B29 107.62(10) . . ?
C25 B28 B30 105.15(10) . . ?
C24 B28 B30 60.29(8) . . ?
B29 B28 B30 61.33(9) . . ?
C25 B28 B27 58.07(8) . . ?
C24 B28 B27 105.34(10) . . ?
B29 B28 B27 60.79(9) . . ?
B30 B28 B27 109.60(11) . . ?
C25 B28 H28 125.3 . . ?
C24 B28 H28 123.3 . . ?
B29 B28 H28 121.5 . . ?
B30 B28 H28 120.8 . . ?
B27 B28 H28 121.8 . . ?
B28 B29 B25 108.00(10) . . ?
B28 B29 B24 108.41(12) . . ?
B25 B29 B24 60.35(10) . . ?
B28 B29 B27 60.48(9) . . ?
B25 B29 B27 108.39(12) . . ?
B24 B29 B27 60.03(10) . . ?
B28 B29 B30 59.51(8) . . ?
B25 B29 B30 59.97(8) . . ?
B24 B29 B30 108.07(11) . . ?
B27 B29 B30 107.92(10) . . ?
B28 B29 H29 121.6 . . ?
B25 B29 H29 121.5 . . ?
B24 B29 H29 121.5 . . ?
B27 B29 H29 121.5 . . ?
B30 B29 H29 122.0 . . ?
B28 B30 C24 59.58(8) . . ?
B28 B30 B31 108.77(11) . . ?
C24 B30 B31 59.47(8) . . ?
B28 B30 B25 107.51(11) . . ?
C24 B30 B25 106.09(11) . . ?
B31 B30 B25 60.46(8) . . ?
B28 B30 B29 59.16(8) . . ?
C24 B30 B29 105.40(11) . . ?
B31 B30 B29 108.18(11) . . ?
B25 B30 B29 59.71(9) . . ?
B28 B30 H30 121.6 . . ?
C24 B30 H30 123.5 . . ?
B31 B30 H30 120.9 . . ?
B25 B30 H30 122.2 . . ?
B29 B30 H30 122.7 . . ?
C24 B31 B22 59.80(8) . . ?
C24 B31 B30 60.20(8) . . ?
B22 B31 B30 109.31(10) . . ?
C24 B31 B25 106.56(10) . . ?
B22 B31 B25 107.24(11) . . ?
B30 B31 B25 60.34(8) . . ?
C24 B31 B23 105.70(11) . . ?
B22 B31 B23 58.98(9) . . ?
B30 B31 B23 108.17(11) . . ?
B25 B31 B23 59.48(9) . . ?
C24 B31 H31 123.0 . . ?
B22 B31 H31 121.6 . . ?
B30 B31 H31 120.6 . . ?
B25 B31 H31 122.4 . . ?
B23 B31 H31 122.9 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C13 P1 C1 C2 127.09(10) . . . . ?
C7 P1 C1 C2 7.13(12) . . . . ?
C17 P1 C1 C2 -111.02(11) . . . . ?
C13 P1 C1 C6 -53.42(11) . . . . ?
C7 P1 C1 C6 -173.38(10) . . . . ?
C17 P1 C1 C6 68.47(11) . . . . ?
C14 O1 B1 C15 -1.52(12) . . . . ?
C14 O1 B1 C23 121.84(10) . . . . ?
C14 O1 B1 C24 -125.09(10) . . . . ?
C6 C1 C2 C3 -0.72(19) . . . . ?
P1 C1 C2 C3 178.76(10) . . . . ?
C1 C2 C3 C4 -0.5(2) . . . . ?
C26 B2 B3 B6 61.82(12) . . . . ?
C23 B2 B3 B6 2.07(13) . . . . ?
B21 B2 B3 B6 -37.32(10) . . . . ?
B5 B2 B3 B6 100.87(11) . . . . ?
C26 B2 B3 B4 -1.86(14) . . . . ?
C23 B2 B3 B4 -61.62(13) . . . . ?
B21 B2 B3 B4 -101.00(12) . . . . ?
B5 B2 B3 B4 37.19(10) . . . . ?
C26 B2 B3 B5 -39.04(9) . . . . ?
C23 B2 B3 B5 -98.80(11) . . . . ?
B21 B2 B3 B5 -138.19(11) . . . . ?
C26 B2 B3 B21 99.15(10) . . . . ?
C23 B2 B3 B21 39.39(9) . . . . ?
B5 B2 B3 B21 138.19(11) . . . . ?
C2 C3 C4 C5 1.3(2) . . . . ?
B2 B3 B4 B5 -37.43(10) . . . . ?
B6 B3 B4 B5 -138.15(11) . . . . ?
B21 B3 B4 B5 -100.26(11) . . . . ?
B2 B3 B4 B7 63.75(13) . . . . ?
B6 B3 B4 B7 -36.97(10) . . . . ?
B5 B3 B4 B7 101.19(12) . . . . ?
B21 B3 B4 B7 0.92(14) . . . . ?
B2 B3 B4 B10 0.30(15) . . . . ?
B6 B3 B4 B10 -100.42(12) . . . . ?
B5 B3 B4 B10 37.73(10) . . . . ?
B21 B3 B4 B10 -62.53(14) . . . . ?
B2 B3 B4 B6 100.72(12) . . . . ?
B5 B3 B4 B6 138.15(11) . . . . ?
B21 B3 B4 B6 37.89(10) . . . . ?
C3 C4 C5 C6 -0.9(2) . . . . ?
B3 B2 B5 C26 -134.85(11) . . . . ?
C23 B2 B5 C26 -32.74(9) . . . . ?
B21 B2 B5 C26 -96.00(11) . . . . ?
C26 B2 B5 B4 97.74(11) . . . . ?
B3 B2 B5 B4 -37.11(10) . . . . ?
C23 B2 B5 B4 64.99(12) . . . . ?
B21 B2 B5 B4 1.74(14) . . . . ?
C26 B2 B5 B10 34.37(9) . . . . ?
B3 B2 B5 B10 -100.48(12) . . . . ?
C23 B2 B5 B10 1.63(13) . . . . ?
B21 B2 B5 B10 -61.63(13) . . . . ?
C26 B2 B5 B3 134.85(11) . . . . ?
C23 B2 B5 B3 102.11(11) . . . . ?
B21 B2 B5 B3 38.85(10) . . . . ?
B7 B4 B5 C26 -1.49(13) . . . . ?
B10 B4 B5 C26 -39.19(9) . . . . ?
B3 B4 B5 C26 98.66(11) . . . . ?
B6 B4 B5 C26 61.52(13) . . . . ?
B7 B4 B5 B2 -63.75(13) . . . . ?
B10 B4 B5 B2 -101.45(11) . . . . ?
B3 B4 B5 B2 36.40(10) . . . . ?
B6 B4 B5 B2 -0.74(14) . . . . ?
B7 B4 B5 B10 37.70(10) . . . . ?
B3 B4 B5 B10 137.85(11) . . . . ?
B6 B4 B5 B10 100.71(12) . . . . ?
B7 B4 B5 B3 -100.15(12) . . . . ?
B10 B4 B5 B3 -137.85(11) . . . . ?
B6 B4 B5 B3 -37.14(10) . . . . ?
B2 B3 B5 C26 39.25(9) . . . . ?
B6 B3 B5 C26 -61.47(13) . . . . ?
B4 B3 B5 C26 -98.98(11) . . . . ?
B21 B3 B5 C26 2.21(13) . . . . ?
B6 B3 B5 B2 -100.72(11) . . . . ?
B4 B3 B5 B2 -138.23(11) . . . . ?
B21 B3 B5 B2 -37.04(9) . . . . ?
B2 B3 B5 B4 138.23(11) . . . . ?
B6 B3 B5 B4 37.51(10) . . . . ?
B21 B3 B5 B4 101.18(12) . . . . ?
B2 B3 B5 B10 100.49(11) . . . . ?
B6 B3 B5 B10 -0.23(14) . . . . ?
B4 B3 B5 B10 -37.74(10) . . . . ?
B21 B3 B5 B10 63.44(13) . . . . ?
C4 C5 C6 C1 -0.3(2) . . . . ?
C2 C1 C6 C5 1.1(2) . . . . ?
P1 C1 C6 C5 -178.36(10) . . . . ?
B2 B3 B6 B8 0.36(14) . . . . ?
B4 B3 B6 B8 101.24(11) . . . . ?
B5 B3 B6 B8 63.99(13) . . . . ?
B21 B3 B6 B8 -36.57(10) . . . . ?
B2 B3 B6 B7 -63.57(13) . . . . ?
B4 B3 B6 B7 37.31(10) . . . . ?
B5 B3 B6 B7 0.06(14) . . . . ?
B21 B3 B6 B7 -100.50(11) . . . . ?
B2 B3 B6 B4 -100.88(11) . . . . ?
B5 B3 B6 B4 -37.25(10) . . . . ?
B21 B3 B6 B4 -137.81(11) . . . . ?
B2 B3 B6 B21 36.93(9) . . . . ?
B4 B3 B6 B21 137.81(11) . . . . ?
B5 B3 B6 B21 100.57(11) . . . . ?
B5 B4 B6 B8 -63.28(13) . . . . ?
B7 B4 B6 B8 37.57(10) . . . . ?
B10 B4 B6 B8 0.17(14) . . . . ?
B3 B4 B6 B8 -100.74(11) . . . . ?
B5 B4 B6 B3 37.46(10) . . . . ?
B7 B4 B6 B3 138.31(11) . . . . ?
B10 B4 B6 B3 100.92(12) . . . . ?
B5 B4 B6 B7 -100.85(12) . . . . ?
B10 B4 B6 B7 -37.40(10) . . . . ?
B3 B4 B6 B7 -138.31(11) . . . . ?
B5 B4 B6 B21 -0.48(14) . . . . ?
B7 B4 B6 B21 100.37(11) . . . . ?
B10 B4 B6 B21 62.97(13) . . . . ?
B3 B4 B6 B21 -37.94(10) . . . . ?
C13 P1 C7 C12 -9.38(12) . . . . ?
C1 P1 C7 C12 106.07(10) . . . . ?
C17 P1 C7 C12 -135.14(10) . . . . ?
C13 P1 C7 C8 170.29(10) . . . . ?
C1 P1 C7 C8 -74.25(11) . . . . ?
C17 P1 C7 C8 44.54(11) . . . . ?
B8 B6 B7 B9 -36.58(10) . . . . ?
B3 B6 B7 B9 64.27(14) . . . . ?
B4 B6 B7 B9 101.70(12) . . . . ?
B21 B6 B7 B9 0.44(14) . . . . ?
B8 B6 B7 B4 -138.28(11) . . . . ?
B3 B6 B7 B4 -37.42(10) . . . . ?
B21 B6 B7 B4 -101.26(12) . . . . ?
B3 B6 B7 B8 100.85(11) . . . . ?
B4 B6 B7 B8 138.28(11) . . . . ?
B21 B6 B7 B8 37.02(10) . . . . ?
B8 B6 B7 B10 -100.73(11) . . . . ?
B3 B6 B7 B10 0.13(14) . . . . ?
B4 B6 B7 B10 37.55(10) . . . . ?
B21 B6 B7 B10 -63.71(13) . . . . ?
B5 B4 B7 B9 -0.02(14) . . . . ?
B10 B4 B7 B9 37.67(10) . . . . ?
B3 B4 B7 B9 -63.59(13) . . . . ?
B6 B4 B7 B9 -100.50(11) . . . . ?
B5 B4 B7 B6 100.48(11) . . . . ?
B10 B4 B7 B6 138.17(11) . . . . ?
B3 B4 B7 B6 36.91(10) . . . . ?
B5 B4 B7 B8 63.26(13) . . . . ?
B10 B4 B7 B8 100.95(11) . . . . ?
B3 B4 B7 B8 -0.32(14) . . . . ?
B6 B4 B7 B8 -37.22(10) . . . . ?
B5 B4 B7 B10 -37.69(10) . . . . ?
B3 B4 B7 B10 -101.26(11) . . . . ?
B6 B4 B7 B10 -138.17(11) . . . . ?
C12 C7 C8 C9 0.03(19) . . . . ?
P1 C7 C8 C9 -179.65(10) . . . . ?
B3 B6 B8 C23 -2.60(13) . . . . ?
B7 B6 B8 C23 98.52(10) . . . . ?
B4 B6 B8 C23 61.15(12) . . . . ?
B21 B6 B8 C23 -39.65(9) . . . . ?
B3 B6 B8 B9 -64.93(12) . . . . ?
B7 B6 B8 B9 36.20(10) . . . . ?
B4 B6 B8 B9 -1.17(13) . . . . ?
B21 B6 B8 B9 -101.97(11) . . . . ?
B3 B6 B8 B21 37.05(10) . . . . ?
B7 B6 B8 B21 138.17(11) . . . . ?
B4 B6 B8 B21 100.80(11) . . . . ?
B3 B6 B8 B7 -101.13(11) . . . . ?
B4 B6 B8 B7 -37.37(10) . . . . ?
B21 B6 B8 B7 -138.17(11) . . . . ?
B9 B7 B8 C23 38.70(9) . . . . ?
B6 B7 B8 C23 -100.26(11) . . . . ?
B4 B7 B8 C23 -62.75(12) . . . . ?
B10 B7 B8 C23 0.88(13) . . . . ?
B6 B7 B8 B9 -138.95(11) . . . . ?
B4 B7 B8 B9 -101.44(11) . . . . ?
B10 B7 B8 B9 -37.81(10) . . . . ?
B9 B7 B8 B21 101.02(11) . . . . ?
B6 B7 B8 B21 -37.93(10) . . . . ?
B4 B7 B8 B21 -0.42(14) . . . . ?
B10 B7 B8 B21 63.21(13) . . . . ?
B9 B7 B8 B6 138.95(11) . . . . ?
B4 B7 B8 B6 37.51(10) . . . . ?
B10 B7 B8 B6 101.14(12) . . . . ?
C7 C8 C9 C10 0.5(2) . . . . ?
B6 B7 B9 C23 -3.09(14) . . . . ?
B4 B7 B9 C23 60.89(13) . . . . ?
B8 B7 B9 C23 -39.69(9) . . . . ?
B10 B7 B9 C23 98.35(11) . . . . ?
B6 B7 B9 C26 -62.48(13) . . . . ?
B4 B7 B9 C26 1.50(13) . . . . ?
B8 B7 B9 C26 -99.07(10) . . . . ?
B10 B7 B9 C26 38.96(9) . . . . ?
B6 B7 B9 B8 36.60(10) . . . . ?
B4 B7 B9 B8 100.57(11) . . . . ?
B10 B7 B9 B8 138.04(11) . . . . ?
B6 B7 B9 B10 -101.44(12) . . . . ?
B4 B7 B9 B10 -37.46(10) . . . . ?
B8 B7 B9 B10 -138.04(11) . . . . ?
B21 B8 B9 C23 34.55(9) . . . . ?
B6 B8 B9 C23 98.96(11) . . . . ?
B7 B8 B9 C23 135.51(11) . . . . ?
C23 B8 B9 C26 -36.19(9) . . . . ?
B21 B8 B9 C26 -1.64(13) . . . . ?
B6 B8 B9 C26 62.77(12) . . . . ?
B7 B8 B9 C26 99.32(11) . . . . ?
C23 B8 B9 B7 -135.51(11) . . . . ?
B21 B8 B9 B7 -100.96(11) . . . . ?
B6 B8 B9 B7 -36.55(10) . . . . ?
C23 B8 B9 B10 -97.21(11) . . . . ?
B21 B8 B9 B10 -62.66(13) . . . . ?
B6 B8 B9 B10 1.75(13) . . . . ?
B7 B8 B9 B10 38.29(10) . . . . ?
C8 C9 C10 C11 -0.3(2) . . . . ?
C23 B9 B10 C26 32.53(9) . . . . ?
B7 B9 B10 C26 134.40(10) . . . . ?
B8 B9 B10 C26 95.93(10) . . . . ?
C23 B9 B10 B5 -2.10(13) . . . . ?
C26 B9 B10 B5 -34.63(9) . . . . ?
B7 B9 B10 B5 99.77(11) . . . . ?
B8 B9 B10 B5 61.29(13) . . . . ?
C23 B9 B10 B7 -101.87(10) . . . . ?
C26 B9 B10 B7 -134.40(10) . . . . ?
B8 B9 B10 B7 -38.47(10) . . . . ?
C23 B9 B10 B4 -65.03(12) . . . . ?
C26 B9 B10 B4 -97.56(11) . . . . ?
B7 B9 B10 B4 36.84(10) . . . . ?
B8 B9 B10 B4 -1.63(13) . . . . ?
B2 B5 B10 C26 -34.81(9) . . . . ?
B4 B5 B10 C26 -134.32(11) . . . . ?
B3 B5 B10 C26 -96.61(11) . . . . ?
C26 B5 B10 B9 35.11(9) . . . . ?
B2 B5 B10 B9 0.30(14) . . . . ?
B4 B5 B10 B9 -99.21(11) . . . . ?
B3 B5 B10 B9 -61.50(13) . . . . ?
C26 B5 B10 B7 96.92(11) . . . . ?
B2 B5 B10 B7 62.10(13) . . . . ?
B4 B5 B10 B7 -37.40(10) . . . . ?
B3 B5 B10 B7 0.30(14) . . . . ?
C26 B5 B10 B4 134.32(11) . . . . ?
B2 B5 B10 B4 99.51(12) . . . . ?
B3 B5 B10 B4 37.71(10) . . . . ?
B9 B7 B10 C26 -39.69(9) . . . . ?
B6 B7 B10 C26 60.99(13) . . . . ?
B4 B7 B10 C26 98.66(11) . . . . ?
B8 B7 B10 C26 -2.27(14) . . . . ?
B6 B7 B10 B9 100.68(11) . . . . ?
B4 B7 B10 B9 138.35(11) . . . . ?
B8 B7 B10 B9 37.41(10) . . . . ?
B9 B7 B10 B5 -100.95(11) . . . . ?
B6 B7 B10 B5 -0.27(14) . . . . ?
B4 B7 B10 B5 37.40(10) . . . . ?
B8 B7 B10 B5 -63.53(13) . . . . ?
B9 B7 B10 B4 -138.35(11) . . . . ?
B6 B7 B10 B4 -37.67(10) . . . . ?
B8 B7 B10 B4 -100.93(11) . . . . ?
B5 B4 B10 C26 39.19(9) . . . . ?
B7 B4 B10 C26 -98.68(11) . . . . ?
B3 B4 B10 C26 1.39(14) . . . . ?
B6 B4 B10 C26 -61.50(13) . . . . ?
B5 B4 B10 B9 101.56(11) . . . . ?
B7 B4 B10 B9 -36.31(9) . . . . ?
B3 B4 B10 B9 63.76(13) . . . . ?
B6 B4 B10 B9 0.88(13) . . . . ?
B7 B4 B10 B5 -137.87(11) . . . . ?
B3 B4 B10 B5 -37.80(10) . . . . ?
B6 B4 B10 B5 -100.68(11) . . . . ?
B5 B4 B10 B7 137.87(11) . . . . ?
B3 B4 B10 B7 100.07(12) . . . . ?
B6 B4 B10 B7 37.19(10) . . . . ?
C9 C10 C11 C12 -0.5(2) . . . . ?
C10 C11 C12 C7 1.1(2) . . . . ?
C8 C7 C12 C11 -0.82(19) . . . . ?
P1 C7 C12 C11 178.86(10) . . . . ?
C15 B11 B12 C16 36.12(8) . . . . ?
B17 B11 B12 C16 1.75(13) . . . . ?
B14 B11 B12 C16 -61.76(12) . . . . ?
B13 B11 B12 C16 -99.11(10) . . . . ?
B17 B11 B12 C15 -34.37(9) . . . . ?
B14 B11 B12 C15 -97.88(10) . . . . ?
B13 B11 B12 C15 -135.23(10) . . . . ?
C15 B11 B12 B13 135.23(10) . . . . ?
B17 B11 B12 B13 100.86(11) . . . . ?
B14 B11 B12 B13 37.35(10) . . . . ?
C15 B11 B12 B16 96.85(10) . . . . ?
B17 B11 B12 B16 62.48(13) . . . . ?
B14 B11 B12 B16 -1.03(13) . . . . ?
B13 B11 B12 B16 -38.38(10) . . . . ?
C7 P1 C13 C14 -60.96(13) . . . . ?
C1 P1 C13 C14 179.11(12) . . . . ?
C17 P1 C13 C14 61.02(13) . . . . ?
C16 B12 B13 B16 -40.04(9) . . . . ?
C15 B12 B13 B16 -98.90(10) . . . . ?
B11 B12 B13 B16 -137.53(10) . . . . ?
C16 B12 B13 B14 60.36(12) . . . . ?
C15 B12 B13 B14 1.51(13) . . . . ?
B11 B12 B13 B14 -37.12(9) . . . . ?
B16 B12 B13 B14 100.41(11) . . . . ?
C16 B12 B13 B11 97.49(10) . . . . ?
C15 B12 B13 B11 38.63(9) . . . . ?
B16 B12 B13 B11 137.53(10) . . . . ?
C16 B12 B13 B15 -2.70(13) . . . . ?
C15 B12 B13 B15 -61.56(12) . . . . ?
B11 B12 B13 B15 -100.19(11) . . . . ?
B16 B12 B13 B15 37.35(10) . . . . ?
C15 B11 B13 B12 -39.26(9) . . . . ?
B17 B11 B13 B12 -101.10(10) . . . . ?
B14 B11 B13 B12 -138.12(10) . . . . ?
C15 B11 B13 B16 -1.12(13) . . . . ?
B12 B11 B13 B16 38.13(9) . . . . ?
B17 B11 B13 B16 -62.97(12) . . . . ?
B14 B11 B13 B16 -99.99(11) . . . . ?
C15 B11 B13 B14 98.87(10) . . . . ?
B12 B11 B13 B14 138.12(10) . . . . ?
B17 B11 B13 B14 37.02(9) . . . . ?
C15 B11 B13 B15 61.68(12) . . . . ?
B12 B11 B13 B15 100.94(11) . . . . ?
B17 B11 B13 B15 -0.16(13) . . . . ?
B14 B11 B13 B15 -37.18(9) . . . . ?
B1 O1 C14 C13 -178.72(12) . . . . ?
B1 O1 C14 C16 2.00(14) . . . . ?
P1 C13 C14 O1 -0.7(2) . . . . ?
P1 C13 C14 C16 178.54(9) . . . . ?
C15 B11 B14 B17 39.23(9) . . . . ?
B12 B11 B14 B17 101.89(10) . . . . ?
B13 B11 B14 B17 138.79(10) . . . . ?
C15 B11 B14 B13 -99.56(10) . . . . ?
B12 B11 B14 B13 -36.90(9) . . . . ?
B17 B11 B14 B13 -138.79(10) . . . . ?
C15 B11 B14 B15 -61.77(13) . . . . ?
B12 B11 B14 B15 0.89(14) . . . . ?
B17 B11 B14 B15 -101.00(11) . . . . ?
B13 B11 B14 B15 37.79(10) . . . . ?
C15 B11 B14 B19 2.02(13) . . . . ?
B12 B11 B14 B19 64.68(13) . . . . ?
B17 B11 B14 B19 -37.21(10) . . . . ?
B13 B11 B14 B19 101.58(11) . . . . ?
B12 B13 B14 B11 37.29(9) . . . . ?
B16 B13 B14 B11 101.00(11) . . . . ?
B15 B13 B14 B11 138.13(10) . . . . ?
B12 B13 B14 B17 0.33(13) . . . . ?
B16 B13 B14 B17 64.04(12) . . . . ?
B11 B13 B14 B17 -36.96(9) . . . . ?
B15 B13 B14 B17 101.17(11) . . . . ?
B12 B13 B14 B15 -100.84(11) . . . . ?
B16 B13 B14 B15 -37.13(10) . . . . ?
B11 B13 B14 B15 -138.13(10) . . . . ?
B12 B13 B14 B19 -63.73(13) . . . . ?
B16 B13 B14 B19 -0.02(14) . . . . ?
B11 B13 B14 B19 -101.03(11) . . . . ?
B15 B13 B14 B19 37.10(10) . . . . ?
O1 B1 C15 C16 0.47(11) . . . . ?
C23 B1 C15 C16 -117.45(10) . . . . ?
C24 B1 C15 C16 118.94(10) . . . . ?
O1 B1 C15 B11 -132.93(12) . . . . ?
C23 B1 C15 B11 109.15(14) . . . . ?
C24 B1 C15 B11 -14.46(18) . . . . ?
O1 B1 C15 B17 134.80(12) . . . . ?
C23 B1 C15 B17 16.89(18) . . . . ?
C24 B1 C15 B17 -106.73(14) . . . . ?
O1 B1 C15 B12 -62.84(11) . . . . ?
C23 B1 C15 B12 179.25(9) . . . . ?
C24 B1 C15 B12 55.63(13) . . . . ?
O1 B1 C15 B18 63.90(11) . . . . ?
C23 B1 C15 B18 -54.01(13) . . . . ?
C24 B1 C15 B18 -177.63(9) . . . . ?
B12 B11 C15 C16 -39.29(9) . . . . ?
B17 B11 C15 C16 102.05(10) . . . . ?
B14 B11 C15 C16 62.25(12) . . . . ?
B13 B11 C15 C16 -0.40(12) . . . . ?
B12 B11 C15 B1 92.27(14) . . . . ?
B17 B11 C15 B1 -126.40(14) . . . . ?
B14 B11 C15 B1 -166.20(12) . . . . ?
B13 B11 C15 B1 131.16(13) . . . . ?
B12 B11 C15 B17 -141.33(10) . . . . ?
B14 B11 C15 B17 -39.80(9) . . . . ?
B13 B11 C15 B17 -102.44(10) . . . . ?
B17 B11 C15 B12 141.33(10) . . . . ?
B14 B11 C15 B12 101.53(11) . . . . ?
B13 B11 C15 B12 38.89(9) . . . . ?
B12 B11 C15 B18 -104.72(10) . . . . ?
B17 B11 C15 B18 36.62(10) . . . . ?
B14 B11 C15 B18 -3.18(13) . . . . ?
B13 B11 C15 B18 -65.83(12) . . . . ?
B13 B12 C15 C16 96.82(10) . . . . ?
B11 B12 C15 C16 136.63(10) . . . . ?
B16 B12 C15 C16 33.71(8) . . . . ?
C16 B12 C15 B1 93.75(10) . . . . ?
B13 B12 C15 B1 -169.42(9) . . . . ?
B11 B12 C15 B1 -129.62(11) . . . . ?
B16 B12 C15 B1 127.46(10) . . . . ?
C16 B12 C15 B11 -136.63(10) . . . . ?
B13 B12 C15 B11 -39.81(9) . . . . ?
B16 B12 C15 B11 -102.92(10) . . . . ?
C16 B12 C15 B17 -99.79(10) . . . . ?
B13 B12 C15 B17 -2.97(13) . . . . ?
B11 B12 C15 B17 36.84(9) . . . . ?
B16 B12 C15 B17 -66.08(11) . . . . ?
C16 B12 C15 B18 -32.22(9) . . . . ?
B13 B12 C15 B18 64.60(12) . . . . ?
B11 B12 C15 B18 104.41(10) . . . . ?
B16 B12 C15 B18 1.49(12) . . . . ?
B11 B14 B15 B20 63.25(13) . . . . ?
B17 B14 B15 B20 -0.32(13) . . . . ?
B13 B14 B15 B20 100.97(11) . . . . ?
B19 B14 B15 B20 -37.84(9) . . . . ?
B11 B14 B15 B16 -0.41(14) . . . . ?
B17 B14 B15 B16 -63.98(13) . . . . ?
B13 B14 B15 B16 37.31(10) . . . . ?
B19 B14 B15 B16 -101.50(11) . . . . ?
B11 B14 B15 B19 101.09(11) . . . . ?
B17 B14 B15 B19 37.52(9) . . . . ?
B13 B14 B15 B19 138.81(10) . . . . ?
B11 B14 B15 B13 -37.72(10) . . . . ?
B17 B14 B15 B13 -101.29(11) . . . . ?
B19 B14 B15 B13 -138.81(10) . . . . ?
B12 B13 B15 B20 -0.19(14) . . . . ?
B16 B13 B15 B20 37.57(10) . . . . ?
B14 B13 B15 B20 -100.49(11) . . . . ?
B11 B13 B15 B20 -63.41(12) . . . . ?
B12 B13 B15 B16 -37.76(10) . . . . ?
B14 B13 B15 B16 -138.06(11) . . . . ?
B11 B13 B15 B16 -100.97(11) . . . . ?
B12 B13 B15 B14 100.30(11) . . . . ?
B16 B13 B15 B14 138.06(11) . . . . ?
B11 B13 B15 B14 37.09(9) . . . . ?
B12 B13 B15 B19 63.46(13) . . . . ?
B16 B13 B15 B19 101.21(11) . . . . ?
B14 B13 B15 B19 -36.84(9) . . . . ?
B11 B13 B15 B19 0.24(13) . . . . ?
O1 C14 C16 C15 -1.49(12) . . . . ?
C13 C14 C16 C15 179.17(10) . . . . ?
O1 C14 C16 B20 -140.19(11) . . . . ?
C13 C14 C16 B20 40.48(18) . . . . ?
O1 C14 C16 B16 137.16(11) . . . . ?
C13 C14 C16 B16 -42.18(17) . . . . ?
O1 C14 C16 B12 64.96(13) . . . . ?
C13 C14 C16 B12 -114.38(12) . . . . ?
O1 C14 C16 B18 -68.03(12) . . . . ?
C13 C14 C16 B18 112.63(12) . . . . ?
B1 C15 C16 C14 0.51(11) . . . . ?
B11 C15 C16 C14 146.87(9) . . . . ?
B17 C15 C16 C14 -146.85(10) . . . . ?
B12 C15 C16 C14 107.16(10) . . . . ?
B18 C15 C16 C14 -107.08(10) . . . . ?
B1 C15 C16 B20 145.51(10) . . . . ?
B11 C15 C16 B20 -68.13(12) . . . . ?
B17 C15 C16 B20 -1.85(13) . . . . ?
B12 C15 C16 B20 -107.84(11) . . . . ?
B18 C15 C16 B20 37.92(10) . . . . ?
B1 C15 C16 B16 -144.45(10) . . . . ?
B11 C15 C16 B16 1.92(13) . . . . ?
B17 C15 C16 B16 68.19(12) . . . . ?
B12 C15 C16 B16 -37.80(10) . . . . ?
B18 C15 C16 B16 107.97(11) . . . . ?
B1 C15 C16 B12 -106.65(10) . . . . ?
B11 C15 C16 B12 39.72(9) . . . . ?
B17 C15 C16 B12 105.99(10) . . . . ?
B18 C15 C16 B12 145.76(10) . . . . ?
B1 C15 C16 B18 107.59(10) . . . . ?
B11 C15 C16 B18 -106.05(10) . . . . ?
B17 C15 C16 B18 -39.77(9) . . . . ?
B12 C15 C16 B18 -145.76(10) . . . . ?
C15 B12 C16 C14 -97.02(10) . . . . ?
B13 B12 C16 C14 163.06(10) . . . . ?
B11 B12 C16 C14 -134.00(10) . . . . ?
B16 B12 C16 C14 121.93(11) . . . . ?
B13 B12 C16 C15 -99.91(10) . . . . ?
B11 B12 C16 C15 -36.97(9) . . . . ?
B16 B12 C16 C15 -141.05(10) . . . . ?
C15 B12 C16 B20 104.98(11) . . . . ?
B13 B12 C16 B20 5.07(13) . . . . ?
B11 B12 C16 B20 68.01(12) . . . . ?
B16 B12 C16 B20 -36.07(10) . . . . ?
C15 B12 C16 B16 141.05(10) . . . . ?
B13 B12 C16 B16 41.14(9) . . . . ?
B11 B12 C16 B16 104.08(10) . . . . ?
C15 B12 C16 B18 33.90(10) . . . . ?
B13 B12 C16 B18 -66.02(13) . . . . ?
B11 B12 C16 B18 -3.08(13) . . . . ?
B16 B12 C16 B18 -107.15(11) . . . . ?
C14 C16 B16 B15 159.02(11) . . . . ?
C15 C16 B16 B15 -65.04(12) . . . . ?
B20 C16 B16 B15 40.88(9) . . . . ?
B12 C16 B16 B15 -102.71(10) . . . . ?
B18 C16 B16 B15 5.02(13) . . . . ?
C14 C16 B16 B12 -98.26(13) . . . . ?
C15 C16 B16 B12 37.67(9) . . . . ?
B20 C16 B16 B12 143.59(10) . . . . ?
B18 C16 B16 B12 107.73(11) . . . . ?
C14 C16 B16 B13 -138.46(11) . . . . ?
C15 C16 B16 B13 -2.52(13) . . . . ?
B20 C16 B16 B13 103.40(10) . . . . ?
B12 C16 B16 B13 -40.19(9) . . . . ?
B18 C16 B16 B13 67.54(12) . . . . ?
C14 C16 B16 B20 118.15(13) . . . . ?
C15 C16 B16 B20 -105.92(10) . . . . ?
B12 C16 B16 B20 -143.59(10) . . . . ?
B18 C16 B16 B20 -35.86(10) . . . . ?
B20 B15 B16 C16 -40.15(9) . . . . ?
B14 B15 B16 C16 60.73(12) . . . . ?
B19 B15 B16 C16 -2.64(13) . . . . ?
B13 B15 B16 C16 98.01(10) . . . . ?
B20 B15 B16 B12 -101.11(11) . . . . ?
B14 B15 B16 B12 -0.23(13) . . . . ?
B19 B15 B16 B12 -63.60(12) . . . . ?
B13 B15 B16 B12 37.06(10) . . . . ?
B20 B15 B16 B13 -138.16(11) . . . . ?
B14 B15 B16 B13 -37.28(10) . . . . ?
B19 B15 B16 B13 -100.65(11) . . . . ?
B14 B15 B16 B20 100.88(11) . . . . ?
B19 B15 B16 B20 37.51(9) . . . . ?
B13 B15 B16 B20 138.16(11) . . . . ?
C15 B12 B16 C16 -33.00(8) . . . . ?
B13 B12 B16 C16 -132.91(10) . . . . ?
B11 B12 B16 C16 -94.35(10) . . . . ?
C16 B12 B16 B15 95.13(10) . . . . ?
C15 B12 B16 B15 62.13(12) . . . . ?
B13 B12 B16 B15 -37.78(10) . . . . ?
B11 B12 B16 B15 0.78(13) . . . . ?
C16 B12 B16 B13 132.91(10) . . . . ?
C15 B12 B16 B13 99.92(10) . . . . ?
B11 B12 B16 B13 38.57(10) . . . . ?
C16 B12 B16 B20 32.09(9) . . . . ?
C15 B12 B16 B20 -0.91(12) . . . . ?
B13 B12 B16 B20 -100.83(11) . . . . ?
B11 B12 B16 B20 -62.26(12) . . . . ?
B12 B13 B16 C16 40.02(9) . . . . ?
B14 B13 B16 C16 -60.69(12) . . . . ?
B11 B13 B16 C16 2.12(13) . . . . ?
B15 B13 B16 C16 -97.92(10) . . . . ?
B12 B13 B16 B15 137.94(11) . . . . ?
B14 B13 B16 B15 37.23(10) . . . . ?
B11 B13 B16 B15 100.04(11) . . . . ?
B14 B13 B16 B12 -100.71(11) . . . . ?
B11 B13 B16 B12 -37.90(9) . . . . ?
B15 B13 B16 B12 -137.94(11) . . . . ?
B12 B13 B16 B20 100.62(11) . . . . ?
B14 B13 B16 B20 -0.09(13) . . . . ?
B11 B13 B16 B20 62.72(12) . . . . ?
B15 B13 B16 B20 -37.32(10) . . . . ?
C13 P1 C17 C18 110.52(11) . . . . ?
C7 P1 C17 C18 -125.42(11) . . . . ?
C1 P1 C17 C18 -4.88(13) . . . . ?
C13 P1 C17 C22 -70.73(11) . . . . ?
C7 P1 C17 C22 53.32(11) . . . . ?
C1 P1 C17 C22 173.86(10) . . . . ?
C16 C15 B17 B11 -101.96(10) . . . . ?
B1 C15 B17 B11 125.51(14) . . . . ?
B12 C15 B17 B11 -36.59(10) . . . . ?
B18 C15 B17 B11 -141.32(10) . . . . ?
C16 C15 B17 B18 39.37(9) . . . . ?
B1 C15 B17 B18 -93.17(14) . . . . ?
B11 C15 B17 B18 141.32(10) . . . . ?
B12 C15 B17 B18 104.73(10) . . . . ?
C16 C15 B17 B14 -62.22(11) . . . . ?
B1 C15 B17 B14 165.25(12) . . . . ?
B11 C15 B17 B14 39.74(9) . . . . ?
B12 C15 B17 B14 3.14(12) . . . . ?
B18 C15 B17 B14 -101.59(10) . . . . ?
C16 C15 B17 B19 0.35(12) . . . . ?
B1 C15 B17 B19 -132.19(13) . . . . ?
B11 C15 B17 B19 102.30(11) . . . . ?
B12 C15 B17 B19 65.71(12) . . . . ?
B18 C15 B17 B19 -39.02(9) . . . . ?
B12 B11 B17 C15 34.78(9) . . . . ?
B14 B11 B17 C15 134.56(10) . . . . ?
B13 B11 B17 C15 97.51(10) . . . . ?
C15 B11 B17 B18 -34.84(9) . . . . ?
B12 B11 B17 B18 -0.06(14) . . . . ?
B14 B11 B17 B18 99.72(11) . . . . ?
B13 B11 B17 B18 62.68(12) . . . . ?
C15 B11 B17 B14 -134.56(10) . . . . ?
B12 B11 B17 B14 -99.78(11) . . . . ?
B13 B11 B17 B14 -37.05(9) . . . . ?
C15 B11 B17 B19 -97.49(10) . . . . ?
B12 B11 B17 B19 -62.71(12) . . . . ?
B14 B11 B17 B19 37.07(9) . . . . ?
B13 B11 B17 B19 0.02(13) . . . . ?
B11 B14 B17 C15 -39.18(9) . . . . ?
B13 B14 B17 C15 -2.05(13) . . . . ?
B15 B14 B17 C15 62.09(12) . . . . ?
B19 B14 B17 C15 99.52(10) . . . . ?
B13 B14 B17 B11 37.13(9) . . . . ?
B15 B14 B17 B11 101.27(11) . . . . ?
B19 B14 B17 B11 138.70(10) . . . . ?
B11 B14 B17 B18 -101.92(10) . . . . ?
B13 B14 B17 B18 -64.79(12) . . . . ?
B15 B14 B17 B18 -0.65(13) . . . . ?
B19 B14 B17 B18 36.78(9) . . . . ?
B11 B14 B17 B19 -138.70(10) . . . . ?
B13 B14 B17 B19 -101.57(11) . . . . ?
B15 B14 B17 B19 -37.43(9) . . . . ?
C22 C17 C18 C19 0.5(2) . . . . ?
P1 C17 C18 C19 179.21(12) . . . . ?
C14 C16 B18 C15 97.09(10) . . . . ?
B20 C16 B18 C15 -140.93(10) . . . . ?
B16 C16 B18 C15 -104.97(11) . . . . ?
B12 C16 B18 C15 -33.87(10) . . . . ?
C14 C16 B18 B19 -163.17(10) . . . . ?
C15 C16 B18 B19 99.73(10) . . . . ?
B20 C16 B18 B19 -41.20(9) . . . . ?
B16 C16 B18 B19 -5.24(13) . . . . ?
B12 C16 B18 B19 65.87(12) . . . . ?
C14 C16 B18 B17 133.99(10) . . . . ?
C15 C16 B18 B17 36.90(9) . . . . ?
B20 C16 B18 B17 -104.03(10) . . . . ?
B16 C16 B18 B17 -68.07(12) . . . . ?
B12 C16 B18 B17 3.04(13) . . . . ?
C14 C16 B18 B20 -121.98(11) . . . . ?
C15 C16 B18 B20 140.93(10) . . . . ?
B16 C16 B18 B20 35.96(10) . . . . ?
B12 C16 B18 B20 107.07(11) . . . . ?
B1 C15 B18 C16 -93.35(10) . . . . ?
B11 C15 B18 C16 99.74(10) . . . . ?
B17 C15 B18 C16 136.59(10) . . . . ?
B12 C15 B18 C16 32.19(9) . . . . ?
C16 C15 B18 B19 -96.68(10) . . . . ?
B1 C15 B18 B19 169.97(9) . . . . ?
B11 C15 B18 B19 3.06(13) . . . . ?
B17 C15 B18 B19 39.91(9) . . . . ?
B12 C15 B18 B19 -64.49(12) . . . . ?
C16 C15 B18 B17 -136.59(10) . . . . ?
B1 C15 B18 B17 130.06(11) . . . . ?
B11 C15 B18 B17 -36.85(10) . . . . ?
B12 C15 B18 B17 -104.40(11) . . . . ?
C16 C15 B18 B20 -33.64(8) . . . . ?
B1 C15 B18 B20 -126.98(10) . . . . ?
B11 C15 B18 B20 66.11(11) . . . . ?
B17 C15 B18 B20 102.96(10) . . . . ?
B12 C15 B18 B20 -1.45(12) . . . . ?
C15 B17 B18 C16 -36.02(8) . . . . ?
B11 B17 B18 C16 -1.66(12) . . . . ?
B14 B17 B18 C16 61.77(11) . . . . ?
B19 B17 B18 C16 99.00(10) . . . . ?
B11 B17 B18 C15 34.37(9) . . . . ?
B14 B17 B18 C15 97.79(10) . . . . ?
B19 B17 B18 C15 135.02(10) . . . . ?
C15 B17 B18 B19 -135.02(10) . . . . ?
B11 B17 B18 B19 -100.65(11) . . . . ?
B14 B17 B18 B19 -37.23(9) . . . . ?
C15 B17 B18 B20 -96.42(10) . . . . ?
B11 B17 B18 B20 -62.05(12) . . . . ?
B14 B17 B18 B20 1.37(12) . . . . ?
B19 B17 B18 B20 38.60(9) . . . . ?
C17 C18 C19 C20 -0.3(2) . . . . ?
C16 B18 B19 B20 39.96(9) . . . . ?
C15 B18 B19 B20 98.57(10) . . . . ?
B17 B18 B19 B20 137.26(10) . . . . ?
C16 B18 B19 B14 -60.23(12) . . . . ?
C15 B18 B19 B14 -1.61(13) . . . . ?
B17 B18 B19 B14 37.07(10) . . . . ?
B20 B18 B19 B14 -100.18(11) . . . . ?
C16 B18 B19 B15 3.08(12) . . . . ?
C15 B18 B19 B15 61.70(12) . . . . ?
B17 B18 B19 B15 100.39(11) . . . . ?
B20 B18 B19 B15 -36.87(9) . . . . ?
C16 B18 B19 B17 -97.30(10) . . . . ?
C15 B18 B19 B17 -38.69(9) . . . . ?
B20 B18 B19 B17 -137.26(10) . . . . ?
B11 B14 B19 B18 -0.24(14) . . . . ?
B17 B14 B19 B18 -37.27(9) . . . . ?
B13 B14 B19 B18 63.79(13) . . . . ?
B15 B14 B19 B18 101.05(11) . . . . ?
B11 B14 B19 B20 -63.91(13) . . . . ?
B17 B14 B19 B20 -100.94(10) . . . . ?
B13 B14 B19 B20 0.13(13) . . . . ?
B15 B14 B19 B20 37.38(9) . . . . ?
B11 B14 B19 B15 -101.29(11) . . . . ?
B17 B14 B19 B15 -138.32(10) . . . . ?
B13 B14 B19 B15 -37.26(10) . . . . ?
B11 B14 B19 B17 37.03(10) . . . . ?
B13 B14 B19 B17 101.06(11) . . . . ?
B15 B14 B19 B17 138.32(10) . . . . ?
B20 B15 B19 B18 37.29(9) . . . . ?
B16 B15 B19 B18 -0.29(13) . . . . ?
B14 B15 B19 B18 -100.39(10) . . . . ?
B13 B15 B19 B18 -63.63(12) . . . . ?
B16 B15 B19 B20 -37.58(9) . . . . ?
B14 B15 B19 B20 -137.68(10) . . . . ?
B13 B15 B19 B20 -100.92(11) . . . . ?
B20 B15 B19 B14 137.68(10) . . . . ?
B16 B15 B19 B14 100.10(11) . . . . ?
B13 B15 B19 B14 36.76(9) . . . . ?
B20 B15 B19 B17 100.69(10) . . . . ?
B16 B15 B19 B17 63.11(12) . . . . ?
B14 B15 B19 B17 -37.00(9) . . . . ?
B13 B15 B19 B17 -0.23(13) . . . . ?
C15 B17 B19 B18 39.46(9) . . . . ?
B11 B17 B19 B18 101.21(10) . . . . ?
B14 B17 B19 B18 138.23(10) . . . . ?
C15 B17 B19 B20 1.14(13) . . . . ?
B11 B17 B19 B20 62.89(12) . . . . ?
B18 B17 B19 B20 -38.32(9) . . . . ?
B14 B17 B19 B20 99.92(11) . . . . ?
C15 B17 B19 B14 -98.78(10) . . . . ?
B11 B17 B19 B14 -37.02(9) . . . . ?
B18 B17 B19 B14 -138.23(10) . . . . ?
C15 B17 B19 B15 -61.62(12) . . . . ?
B11 B17 B19 B15 0.13(12) . . . . ?
B18 B17 B19 B15 -101.08(10) . . . . ?
B14 B17 B19 B15 37.15(9) . . . . ?
C18 C19 C20 C21 0.3(2) . . . . ?
C14 C16 B20 B15 -159.24(11) . . . . ?
C15 C16 B20 B15 64.78(12) . . . . ?
B16 C16 B20 B15 -41.12(9) . . . . ?
B12 C16 B20 B15 -5.15(13) . . . . ?
B18 C16 B20 B15 102.61(10) . . . . ?
C14 C16 B20 B18 98.15(13) . . . . ?
C15 C16 B20 B18 -37.83(9) . . . . ?
B16 C16 B20 B18 -143.73(10) . . . . ?
B12 C16 B20 B18 -107.76(11) . . . . ?
C14 C16 B20 B16 -118.12(13) . . . . ?
C15 C16 B20 B16 105.90(11) . . . . ?
B12 C16 B20 B16 35.97(10) . . . . ?
B18 C16 B20 B16 143.73(10) . . . . ?
C14 C16 B20 B19 138.46(12) . . . . ?
C15 C16 B20 B19 2.47(13) . . . . ?
B16 C16 B20 B19 -103.42(10) . . . . ?
B12 C16 B20 B19 -67.46(12) . . . . ?
B18 C16 B20 B19 40.30(9) . . . . ?
B16 B15 B20 C16 40.35(9) . . . . ?
B14 B15 B20 C16 -60.15(12) . . . . ?
B19 B15 B20 C16 -97.89(10) . . . . ?
B13 B15 B20 C16 3.01(13) . . . . ?
B16 B15 B20 B18 101.66(10) . . . . ?
B14 B15 B20 B18 1.15(13) . . . . ?
B19 B15 B20 B18 -36.59(9) . . . . ?
B13 B15 B20 B18 64.31(12) . . . . ?
B14 B15 B20 B16 -100.50(11) . . . . ?
B19 B15 B20 B16 -138.24(10) . . . . ?
B13 B15 B20 B16 -37.34(10) . . . . ?
B16 B15 B20 B19 138.24(10) . . . . ?
B14 B15 B20 B19 37.74(9) . . . . ?
B13 B15 B20 B19 100.90(11) . . . . ?
C15 B18 B20 C16 32.95(8) . . . . ?
B19 B18 B20 C16 132.81(10) . . . . ?
B17 B18 B20 C16 94.06(10) . . . . ?
C16 B18 B20 B15 -95.63(10) . . . . ?
C15 B18 B20 B15 -62.68(11) . . . . ?
B19 B18 B20 B15 37.18(9) . . . . ?
B17 B18 B20 B15 -1.57(12) . . . . ?
C16 B18 B20 B16 -32.15(9) . . . . ?
C15 B18 B20 B16 0.80(12) . . . . ?
B19 B18 B20 B16 100.66(11) . . . . ?
B17 B18 B20 B16 61.91(12) . . . . ?
C16 B18 B20 B19 -132.81(10) . . . . ?
C15 B18 B20 B19 -99.86(10) . . . . ?
B17 B18 B20 B19 -38.75(9) . . . . ?
B15 B16 B20 C16 -132.46(10) . . . . ?
B12 B16 B20 C16 -32.24(9) . . . . ?
B13 B16 B20 C16 -94.71(10) . . . . ?
C16 B16 B20 B15 132.46(10) . . . . ?
B12 B16 B20 B15 100.21(11) . . . . ?
B13 B16 B20 B15 37.75(10) . . . . ?
C16 B16 B20 B18 32.31(9) . . . . ?
B15 B16 B20 B18 -100.15(11) . . . . ?
B12 B16 B20 B18 0.07(13) . . . . ?
B13 B16 B20 B18 -62.40(12) . . . . ?
C16 B16 B20 B19 94.88(10) . . . . ?
B15 B16 B20 B19 -37.58(10) . . . . ?
B12 B16 B20 B19 62.64(12) . . . . ?
B13 B16 B20 B19 0.17(13) . . . . ?
B18 B19 B20 C16 -40.24(9) . . . . ?
B14 B19 B20 C16 60.69(12) . . . . ?
B15 B19 B20 C16 98.28(10) . . . . ?
B17 B19 B20 C16 -2.11(13) . . . . ?
B18 B19 B20 B15 -138.53(10) . . . . ?
B14 B19 B20 B15 -37.59(10) . . . . ?
B17 B19 B20 B15 -100.39(11) . . . . ?
B14 B19 B20 B18 100.93(11) . . . . ?
B15 B19 B20 B18 138.53(10) . . . . ?
B17 B19 B20 B18 38.14(9) . . . . ?
B18 B19 B20 B16 -101.12(10) . . . . ?
B14 B19 B20 B16 -0.18(13) . . . . ?
B15 B19 B20 B16 37.41(9) . . . . ?
B17 B19 B20 B16 -62.98(12) . . . . ?
C19 C20 C21 C22 -0.4(2) . . . . ?
C26 B2 B21 C23 35.43(8) . . . . ?
B3 B2 B21 C23 135.77(10) . . . . ?
B5 B2 B21 C23 97.14(11) . . . . ?
C26 B2 B21 B8 -0.66(13) . . . . ?
B3 B2 B21 B8 99.67(11) . . . . ?
C23 B2 B21 B8 -36.10(9) . . . . ?
B5 B2 B21 B8 61.04(13) . . . . ?
C26 B2 B21 B6 -63.73(12) . . . . ?
B3 B2 B21 B6 36.60(10) . . . . ?
C23 B2 B21 B6 -99.16(10) . . . . ?
B5 B2 B21 B6 -2.02(14) . . . . ?
C26 B2 B21 B3 -100.33(11) . . . . ?
C23 B2 B21 B3 -135.77(10) . . . . ?
B5 B2 B21 B3 -38.63(10) . . . . ?
B9 B8 B21 C23 -34.52(9) . . . . ?
B6 B8 B21 C23 -134.66(10) . . . . ?
B7 B8 B21 C23 -97.19(10) . . . . ?
C23 B8 B21 B2 36.00(9) . . . . ?
B9 B8 B21 B2 1.47(14) . . . . ?
B6 B8 B21 B2 -98.67(11) . . . . ?
B7 B8 B21 B2 -61.19(13) . . . . ?
C23 B8 B21 B6 134.66(10) . . . . ?
B9 B8 B21 B6 100.14(11) . . . . ?
B7 B8 B21 B6 37.47(10) . . . . ?
C23 B8 B21 B3 98.17(10) . . . . ?
B9 B8 B21 B3 63.65(12) . . . . ?
B6 B8 B21 B3 -36.49(10) . . . . ?
B7 B8 B21 B3 0.99(13) . . . . ?
B8 B6 B21 C23 39.87(9) . . . . ?
B3 B6 B21 C23 -98.91(10) . . . . ?
B7 B6 B21 C23 2.36(13) . . . . ?
B4 B6 B21 C23 -61.04(13) . . . . ?
B8 B6 B21 B2 102.43(11) . . . . ?
B3 B6 B21 B2 -36.35(10) . . . . ?
B7 B6 B21 B2 64.92(13) . . . . ?
B4 B6 B21 B2 1.52(14) . . . . ?
B3 B6 B21 B8 -138.78(11) . . . . ?
B7 B6 B21 B8 -37.51(10) . . . . ?
B4 B6 B21 B8 -100.91(11) . . . . ?
B8 B6 B21 B3 138.78(11) . . . . ?
B7 B6 B21 B3 101.27(12) . . . . ?
B4 B6 B21 B3 37.87(10) . . . . ?
B2 B3 B21 C23 -38.75(9) . . . . ?
B6 B3 B21 C23 99.61(10) . . . . ?
B4 B3 B21 C23 61.73(12) . . . . ?
B5 B3 B21 C23 -1.34(13) . . . . ?
B6 B3 B21 B2 138.36(11) . . . . ?
B4 B3 B21 B2 100.48(11) . . . . ?
B5 B3 B21 B2 37.41(10) . . . . ?
B2 B3 B21 B8 -101.66(11) . . . . ?
B6 B3 B21 B8 36.70(10) . . . . ?
B4 B3 B21 B8 -1.18(14) . . . . ?
B5 B3 B21 B8 -64.25(13) . . . . ?
B2 B3 B21 B6 -138.36(11) . . . . ?
B4 B3 B21 B6 -37.88(10) . . . . ?
B5 B3 B21 B6 -100.95(11) . . . . ?
C20 C21 C22 C17 0.6(2) . . . . ?
C18 C17 C22 C21 -0.6(2) . . . . ?
P1 C17 C22 C21 -179.40(10) . . . . ?
O1 B1 C23 C26 112.02(10) . . . . ?
C15 B1 C23 C26 -133.47(10) . . . . ?
C24 B1 C23 C26 -3.95(11) . . . . ?
O1 B1 C23 B9 178.85(9) . . . . ?
C15 B1 C23 B9 -66.64(13) . . . . ?
C24 B1 C23 B9 62.88(12) . . . . ?
O1 B1 C23 B2 46.19(12) . . . . ?
C15 B1 C23 B2 160.69(9) . . . . ?
C24 B1 C23 B2 -69.79(11) . . . . ?
O1 B1 C23 B21 -23.76(16) . . . . ?
C15 B1 C23 B21 90.74(14) . . . . ?
C24 B1 C23 B21 -139.74(11) . . . . ?
O1 B1 C23 B8 -107.79(13) . . . . ?
C15 B1 C23 B8 6.71(17) . . . . ?
C24 B1 C23 B8 136.23(12) . . . . ?
B7 B9 C23 C26 -96.87(11) . . . . ?
B8 B9 C23 C26 -137.03(10) . . . . ?
B10 B9 C23 C26 -33.10(9) . . . . ?
C26 B9 C23 B1 -96.86(11) . . . . ?
B7 B9 C23 B1 166.27(10) . . . . ?
B8 B9 C23 B1 126.11(11) . . . . ?
B10 B9 C23 B1 -129.96(11) . . . . ?
C26 B9 C23 B2 36.35(9) . . . . ?
B7 B9 C23 B2 -60.52(12) . . . . ?
B8 B9 C23 B2 -100.68(11) . . . . ?
B10 B9 C23 B2 3.26(13) . . . . ?
C26 B9 C23 B21 101.59(10) . . . . ?
B7 B9 C23 B21 4.72(13) . . . . ?
B8 B9 C23 B21 -35.44(10) . . . . ?
B10 B9 C23 B21 68.49(12) . . . . ?
C26 B9 C23 B8 137.03(10) . . . . ?
B7 B9 C23 B8 40.16(10) . . . . ?
B10 B9 C23 B8 103.94(11) . . . . ?
B3 B2 C23 C26 97.86(10) . . . . ?
B21 B2 C23 C26 138.15(10) . . . . ?
B5 B2 C23 C26 33.44(9) . . . . ?
C26 B2 C23 B1 98.33(10) . . . . ?
B3 B2 C23 B1 -163.81(10) . . . . ?
B21 B2 C23 B1 -123.51(11) . . . . ?
B5 B2 C23 B1 131.77(10) . . . . ?
C26 B2 C23 B9 -36.53(9) . . . . ?
B3 B2 C23 B9 61.33(12) . . . . ?
B21 B2 C23 B9 101.62(10) . . . . ?
B5 B2 C23 B9 -3.09(13) . . . . ?
C26 B2 C23 B21 -138.15(10) . . . . ?
B3 B2 C23 B21 -40.30(9) . . . . ?
B5 B2 C23 B21 -104.71(11) . . . . ?
C26 B2 C23 B8 -101.63(10) . . . . ?
B3 B2 C23 B8 -3.78(12) . . . . ?
B21 B2 C23 B8 36.52(9) . . . . ?
B5 B2 C23 B8 -68.19(12) . . . . ?
B2 B21 C23 C26 -38.35(9) . . . . ?
B8 B21 C23 C26 101.57(10) . . . . ?
B6 B21 C23 C26 61.81(12) . . . . ?
B3 B21 C23 C26 -0.09(12) . . . . ?
B2 B21 C23 B1 96.97(13) . . . . ?
B8 B21 C23 B1 -123.11(13) . . . . ?
B6 B21 C23 B1 -162.87(11) . . . . ?
B3 B21 C23 B1 135.23(12) . . . . ?
B2 B21 C23 B9 -104.52(10) . . . . ?
B8 B21 C23 B9 35.39(10) . . . . ?
B6 B21 C23 B9 -4.36(13) . . . . ?
B3 B21 C23 B9 -66.26(12) . . . . ?
B8 B21 C23 B2 139.92(10) . . . . ?
B6 B21 C23 B2 100.16(11) . . . . ?
B3 B21 C23 B2 38.26(9) . . . . ?
B2 B21 C23 B8 -139.92(10) . . . . ?
B6 B21 C23 B8 -39.76(9) . . . . ?
B3 B21 C23 B8 -101.66(11) . . . . ?
B9 B8 C23 C26 39.48(9) . . . . ?
B21 B8 C23 C26 -101.90(10) . . . . ?
B6 B8 C23 C26 -61.54(12) . . . . ?
B7 B8 C23 C26 0.92(13) . . . . ?
B9 B8 C23 B1 -100.36(14) . . . . ?
B21 B8 C23 B1 118.26(14) . . . . ?
B6 B8 C23 B1 158.62(12) . . . . ?
B7 B8 C23 B1 -138.91(12) . . . . ?
B21 B8 C23 B9 -141.37(11) . . . . ?
B6 B8 C23 B9 -101.01(11) . . . . ?
B7 B8 C23 B9 -38.55(9) . . . . ?
B9 B8 C23 B2 104.95(10) . . . . ?
B21 B8 C23 B2 -36.43(9) . . . . ?
B6 B8 C23 B2 3.93(12) . . . . ?
B7 B8 C23 B2 66.39(12) . . . . ?
B9 B8 C23 B21 141.37(11) . . . . ?
B6 B8 C23 B21 40.36(9) . . . . ?
B7 B8 C23 B21 102.82(11) . . . . ?
C24 B22 B23 B25 -2.83(14) . . . . ?
B31 B22 B23 B25 36.58(10) . . . . ?
C25 B22 B23 B25 -61.99(13) . . . . ?
B26 B22 B23 B25 -101.09(12) . . . . ?
C24 B22 B23 B24 61.01(15) . . . . ?
B31 B22 B23 B24 100.42(13) . . . . ?
C25 B22 B23 B24 1.86(15) . . . . ?
B26 B22 B23 B24 -37.25(12) . . . . ?
C24 B22 B23 B31 -39.41(9) . . . . ?
C25 B22 B23 B31 -98.56(11) . . . . ?
B26 B22 B23 B31 -137.67(11) . . . . ?
C24 B22 B23 B26 98.26(11) . . . . ?
B31 B22 B23 B26 137.67(11) . . . . ?
C25 B22 B23 B26 39.11(10) . . . . ?
O1 B1 C24 C25 -110.74(10) . . . . ?
C15 B1 C24 C25 134.45(10) . . . . ?
C23 B1 C24 C25 4.92(11) . . . . ?
O1 B1 C24 B22 -44.44(13) . . . . ?
C15 B1 C24 B22 -159.25(10) . . . . ?
C23 B1 C24 B22 71.21(11) . . . . ?
O1 B1 C24 B31 24.12(17) . . . . ?
C15 B1 C24 B31 -90.69(14) . . . . ?
C23 B1 C24 B31 139.78(12) . . . . ?
O1 B1 C24 B28 -177.43(10) . . . . ?
C15 B1 C24 B28 67.75(14) . . . . ?
C23 B1 C24 B28 -61.78(13) . . . . ?
O1 B1 C24 B30 108.12(13) . . . . ?
C15 B1 C24 B30 -6.70(18) . . . . ?
C23 B1 C24 B30 -136.23(12) . . . . ?
B23 B22 C24 C25 -97.05(11) . . . . ?
B31 B22 C24 C25 -137.29(10) . . . . ?
B26 B22 C24 C25 -32.85(10) . . . . ?
B23 B22 C24 B1 163.81(10) . . . . ?
B31 B22 C24 B1 123.57(11) . . . . ?
C25 B22 C24 B1 -99.14(10) . . . . ?
B26 B22 C24 B1 -131.99(11) . . . . ?
B23 B22 C24 B31 40.24(10) . . . . ?
C25 B22 C24 B31 137.29(10) . . . . ?
B26 B22 C24 B31 104.44(11) . . . . ?
B23 B22 C24 B28 -60.52(13) . . . . ?
B31 B22 C24 B28 -100.75(11) . . . . ?
C25 B22 C24 B28 36.54(9) . . . . ?
B26 B22 C24 B28 3.68(14) . . . . ?
B23 B22 C24 B30 4.45(13) . . . . ?
B31 B22 C24 B30 -35.78(10) . . . . ?
C25 B22 C24 B30 101.51(10) . . . . ?
B26 B22 C24 B30 68.65(12) . . . . ?
B22 B23 B24 B29 -64.08(15) . . . . ?
B25 B23 B24 B29 36.71(11) . . . . ?
B31 B23 B24 B29 -1.33(15) . . . . ?
B26 B23 B24 B29 -101.66(12) . . . . ?
B22 B23 B24 B26 37.58(11) . . . . ?
B25 B23 B24 B26 138.37(11) . . . . ?
B31 B23 B24 B26 100.33(12) . . . . ?
B22 B23 B24 B27 -0.43(17) . . . . ?
B25 B23 B24 B27 100.36(13) . . . . ?
B31 B23 B24 B27 62.32(16) . . . . ?
B26 B23 B24 B27 -38.01(12) . . . . ?
B22 B23 B24 B25 -100.79(12) . . . . ?
B31 B23 B24 B25 -38.04(10) . . . . ?
B26 B23 B24 B25 -138.37(11) . . . . ?
B1 C24 C25 C26 -4.27(12) . . . . ?
B22 C24 C25 C26 -109.80(11) . . . . ?
B31 C24 C25 C26 -148.48(10) . . . . ?
B28 C24 C25 C26 108.82(11) . . . . ?
B30 C24 C25 C26 147.23(10) . . . . ?
B1 C24 C25 B27 -149.65(10) . . . . ?
B22 C24 C25 B27 104.81(11) . . . . ?
B31 C24 C25 B27 66.13(12) . . . . ?
B28 C24 C25 B27 -36.57(10) . . . . ?
B30 C24 C25 B27 1.84(13) . . . . ?
B1 C24 C25 B26 141.45(10) . . . . ?
B22 C24 C25 B26 35.91(10) . . . . ?
B31 C24 C25 B26 -2.77(14) . . . . ?
B28 C24 C25 B26 -105.47(11) . . . . ?
B30 C24 C25 B26 -67.06(12) . . . . ?
B1 C24 C25 B28 -113.08(10) . . . . ?
B22 C24 C25 B28 141.38(10) . . . . ?
B31 C24 C25 B28 102.70(10) . . . . ?
B30 C24 C25 B28 38.41(9) . . . . ?
B1 C24 C25 B22 105.54(10) . . . . ?
B31 C24 C25 B22 -38.68(9) . . . . ?
B28 C24 C25 B22 -141.38(10) . . . . ?
B30 C24 C25 B22 -102.97(10) . . . . ?
C24 B22 C25 C26 99.55(11) . . . . ?
B23 B22 C25 C26 -159.04(11) . . . . ?
B31 B22 C25 C26 136.88(11) . . . . ?
B26 B22 C25 C26 -118.43(13) . . . . ?
B23 B22 C25 C24 101.41(11) . . . . ?
B31 B22 C25 C24 37.33(9) . . . . ?
B26 B22 C25 C24 142.02(11) . . . . ?
C24 B22 C25 B27 -104.21(12) . . . . ?
B23 B22 C25 B27 -2.80(15) . . . . ?
B31 B22 C25 B27 -66.89(13) . . . . ?
B26 B22 C25 B27 37.81(12) . . . . ?
C24 B22 C25 B26 -142.02(11) . . . . ?
B23 B22 C25 B26 -40.61(11) . . . . ?
B31 B22 C25 B26 -104.70(12) . . . . ?
C24 B22 C25 B28 -36.38(9) . . . . ?
B23 B22 C25 B28 65.03(13) . . . . ?
B31 B22 C25 B28 0.94(13) . . . . ?
B26 B22 C25 B28 105.64(12) . . . . ?
B22 B23 B25 B29 64.09(14) . . . . ?
B24 B23 B25 B29 -36.95(10) . . . . ?
B31 B23 B25 B29 100.40(11) . . . . ?
B26 B23 B25 B29 0.17(14) . . . . ?
B22 B23 B25 B30 0.23(15) . . . . ?
B24 B23 B25 B30 -100.80(12) . . . . ?
B31 B23 B25 B30 36.55(10) . . . . ?
B26 B23 B25 B30 -63.68(13) . . . . ?
B22 B23 B25 B31 -36.31(10) . . . . ?
B24 B23 B25 B31 -137.35(11) . . . . ?
B26 B23 B25 B31 -100.23(11) . . . . ?
B22 B23 B25 B24 101.03(12) . . . . ?
B31 B23 B25 B24 137.35(11) . . . . ?
B26 B23 B25 B24 37.12(10) . . . . ?
B29 B24 B25 B23 -138.74(11) . . . . ?
B26 B24 B25 B23 -37.58(11) . . . . ?
B27 B24 B25 B23 -101.46(12) . . . . ?
B23 B24 B25 B29 138.74(11) . . . . ?
B26 B24 B25 B29 101.17(12) . . . . ?
B27 B24 B25 B29 37.28(11) . . . . ?
B29 B24 B25 B30 -37.82(10) . . . . ?
B23 B24 B25 B30 100.92(11) . . . . ?
B26 B24 B25 B30 63.34(14) . . . . ?
B27 B24 B25 B30 -0.54(15) . . . . ?
B29 B24 B25 B31 -100.41(11) . . . . ?
B23 B24 B25 B31 38.33(10) . . . . ?
B26 B24 B25 B31 0.76(15) . . . . ?
B27 B24 B25 B31 -63.13(14) . . . . ?
C24 C25 C26 C23 1.71(13) . . . . ?
B27 C25 C26 C23 141.65(12) . . . . ?
B26 C25 C26 C23 -138.32(12) . . . . ?
B28 C25 C26 C23 69.05(12) . . . . ?
B22 C25 C26 C23 -65.43(13) . . . . ?
C24 C25 C26 B10 -138.69(12) . . . . ?
B27 C25 C26 B10 1.3(2) . . . . ?
B26 C25 C26 B10 81.28(17) . . . . ?
B28 C25 C26 B10 -71.35(16) . . . . ?
B22 C25 C26 B10 154.17(12) . . . . ?
C24 C25 C26 B5 141.27(11) . . . . ?
B27 C25 C26 B5 -78.80(17) . . . . ?
B26 C25 C26 B5 1.23(18) . . . . ?
B28 C25 C26 B5 -151.40(11) . . . . ?
B22 C25 C26 B5 74.12(15) . . . . ?
C24 C25 C26 B2 68.99(13) . . . . ?
B27 C25 C26 B2 -151.07(12) . . . . ?
B26 C25 C26 B2 -71.04(15) . . . . ?
B28 C25 C26 B2 136.33(11) . . . . ?
B22 C25 C26 B2 1.84(15) . . . . ?
C24 C25 C26 B9 -65.36(12) . . . . ?
B27 C25 C26 B9 74.57(16) . . . . ?
B26 C25 C26 B9 154.60(11) . . . . ?
B28 C25 C26 B9 1.97(15) . . . . ?
B22 C25 C26 B9 -132.51(11) . . . . ?
B1 C23 C26 C25 1.51(12) . . . . ?
B9 C23 C26 C25 -109.84(11) . . . . ?
B2 C23 C26 C25 108.89(11) . . . . ?
B21 C23 C26 C25 146.78(10) . . . . ?
B8 C23 C26 C25 -148.69(10) . . . . ?
B1 C23 C26 B10 147.68(10) . . . . ?
B9 C23 C26 B10 36.32(10) . . . . ?
B2 C23 C26 B10 -104.95(11) . . . . ?
B21 C23 C26 B10 -67.06(12) . . . . ?
B8 C23 C26 B10 -2.53(13) . . . . ?
B1 C23 C26 B5 -143.68(10) . . . . ?
B9 C23 C26 B5 104.97(11) . . . . ?
B2 C23 C26 B5 -36.30(10) . . . . ?
B21 C23 C26 B5 1.59(13) . . . . ?
B8 C23 C26 B5 66.12(12) . . . . ?
B1 C23 C26 B2 -107.37(10) . . . . ?
B9 C23 C26 B2 141.27(10) . . . . ?
B21 C23 C26 B2 37.89(9) . . . . ?
B8 C23 C26 B2 102.42(10) . . . . ?
B1 C23 C26 B9 111.35(10) . . . . ?
B2 C23 C26 B9 -141.27(10) . . . . ?
B21 C23 C26 B9 -103.38(10) . . . . ?
B8 C23 C26 B9 -38.85(9) . . . . ?
B9 B10 C26 C25 103.39(13) . . . . ?
B5 B10 C26 C25 -115.83(14) . . . . ?
B7 B10 C26 C25 142.46(12) . . . . ?
B4 B10 C26 C25 -155.54(12) . . . . ?
B9 B10 C26 C23 -36.08(10) . . . . ?
B5 B10 C26 C23 104.69(11) . . . . ?
B7 B10 C26 C23 2.98(14) . . . . ?
B4 B10 C26 C23 64.98(13) . . . . ?
B9 B10 C26 B5 -140.78(10) . . . . ?
B7 B10 C26 B5 -101.71(11) . . . . ?
B4 B10 C26 B5 -39.71(10) . . . . ?
B9 B10 C26 B2 -103.75(11) . . . . ?
B5 B10 C26 B2 37.03(10) . . . . ?
B7 B10 C26 B2 -64.68(13) . . . . ?
B4 B10 C26 B2 -2.68(14) . . . . ?
B5 B10 C26 B9 140.78(10) . . . . ?
B7 B10 C26 B9 39.07(10) . . . . ?
B4 B10 C26 B9 101.07(11) . . . . ?
B2 B5 C26 C25 -102.31(13) . . . . ?
B4 B5 C26 C25 156.64(11) . . . . ?
B10 B5 C26 C25 116.68(13) . . . . ?
B3 B5 C26 C25 -140.98(12) . . . . ?
B2 B5 C26 C23 36.30(10) . . . . ?
B4 B5 C26 C23 -64.76(12) . . . . ?
B10 B5 C26 C23 -104.72(11) . . . . ?
B3 B5 C26 C23 -2.37(13) . . . . ?
B2 B5 C26 B10 141.02(11) . . . . ?
B4 B5 C26 B10 39.96(10) . . . . ?
B3 B5 C26 B10 102.35(11) . . . . ?
B4 B5 C26 B2 -101.06(11) . . . . ?
B10 B5 C26 B2 -141.02(11) . . . . ?
B3 B5 C26 B2 -38.67(9) . . . . ?
B2 B5 C26 B9 103.62(11) . . . . ?
B4 B5 C26 B9 2.56(13) . . . . ?
B10 B5 C26 B9 -37.40(10) . . . . ?
B3 B5 C26 B9 64.95(12) . . . . ?
B3 B2 C26 C25 158.89(11) . . . . ?
C23 B2 C26 C25 -99.81(11) . . . . ?
B21 B2 C26 C25 -136.58(11) . . . . ?
B5 B2 C26 C25 118.54(12) . . . . ?
B3 B2 C26 C23 -101.30(11) . . . . ?
B21 B2 C26 C23 -36.77(9) . . . . ?
B5 B2 C26 C23 -141.65(10) . . . . ?
B3 B2 C26 B10 2.91(14) . . . . ?
C23 B2 C26 B10 104.22(11) . . . . ?
B21 B2 C26 B10 67.45(13) . . . . ?
B5 B2 C26 B10 -37.43(10) . . . . ?
B3 B2 C26 B5 40.34(10) . . . . ?
C23 B2 C26 B5 141.65(10) . . . . ?
B21 B2 C26 B5 104.88(11) . . . . ?
B3 B2 C26 B9 -64.93(13) . . . . ?
C23 B2 C26 B9 36.38(9) . . . . ?
B21 B2 C26 B9 -0.39(13) . . . . ?
B5 B2 C26 B9 -105.27(11) . . . . ?
C23 B9 C26 C25 99.27(11) . . . . ?
B7 B9 C26 C25 -159.26(10) . . . . ?
B8 B9 C26 C25 137.05(11) . . . . ?
B10 B9 C26 C25 -118.98(12) . . . . ?
B7 B9 C26 C23 101.47(10) . . . . ?
B8 B9 C26 C23 37.78(9) . . . . ?
B10 B9 C26 C23 141.75(10) . . . . ?
C23 B9 C26 B10 -141.75(10) . . . . ?
B7 B9 C26 B10 -40.28(10) . . . . ?
B8 B9 C26 B10 -103.97(11) . . . . ?
C23 B9 C26 B5 -104.06(11) . . . . ?
B7 B9 C26 B5 -2.59(13) . . . . ?
B8 B9 C26 B5 -66.28(12) . . . . ?
B10 B9 C26 B5 37.69(10) . . . . ?
C23 B9 C26 B2 -36.51(9) . . . . ?
B7 B9 C26 B2 64.96(12) . . . . ?
B8 B9 C26 B2 1.27(13) . . . . ?
B10 B9 C26 B2 105.24(11) . . . . ?
C26 C25 B26 B24 -155.64(12) . . . . ?
C24 C25 B26 B24 65.12(13) . . . . ?
B27 C25 B26 B24 -39.83(11) . . . . ?
B28 C25 B26 B24 -2.55(14) . . . . ?
B22 C25 B26 B24 100.89(12) . . . . ?
C26 C25 B26 B22 103.47(13) . . . . ?
C24 C25 B26 B22 -35.77(10) . . . . ?
B27 C25 B26 B22 -140.72(12) . . . . ?
B28 C25 B26 B22 -103.44(11) . . . . ?
C26 C25 B26 B27 -115.82(14) . . . . ?
C24 C25 B26 B27 104.95(12) . . . . ?
B28 C25 B26 B27 37.27(11) . . . . ?
B22 C25 B26 B27 140.72(12) . . . . ?
C26 C25 B26 B23 142.49(12) . . . . ?
C24 C25 B26 B23 3.25(14) . . . . ?
B27 C25 B26 B23 -101.69(13) . . . . ?
B28 C25 B26 B23 -64.42(13) . . . . ?
B22 C25 B26 B23 39.02(10) . . . . ?
B29 B24 B26 C25 1.59(15) . . . . ?
B23 B24 B26 C25 -98.81(11) . . . . ?
B27 B24 B26 C25 39.01(10) . . . . ?
B25 B24 B26 C25 -61.69(14) . . . . ?
B29 B24 B26 B22 64.15(14) . . . . ?
B23 B24 B26 B22 -36.25(10) . . . . ?
B27 B24 B26 B22 101.58(12) . . . . ?
B25 B24 B26 B22 0.88(15) . . . . ?
B29 B24 B26 B27 -37.43(11) . . . . ?
B23 B24 B26 B27 -137.83(12) . . . . ?
B25 B24 B26 B27 -100.70(13) . . . . ?
B29 B24 B26 B23 100.40(13) . . . . ?
B27 B24 B26 B23 137.83(12) . . . . ?
B25 B24 B26 B23 37.12(11) . . . . ?
C24 B22 B26 C25 32.17(9) . . . . ?
B23 B22 B26 C25 134.30(12) . . . . ?
B31 B22 B26 C25 95.21(11) . . . . ?
C24 B22 B26 B24 -65.28(13) . . . . ?
B23 B22 B26 B24 36.85(11) . . . . ?
B31 B22 B26 B24 -2.25(14) . . . . ?
C25 B22 B26 B24 -97.45(12) . . . . ?
C24 B22 B26 B27 -2.30(14) . . . . ?
B23 B22 B26 B27 99.83(13) . . . . ?
B31 B22 B26 B27 60.74(14) . . . . ?
C25 B22 B26 B27 -34.47(10) . . . . ?
C24 B22 B26 B23 -102.13(12) . . . . ?
B31 B22 B26 B23 -39.10(11) . . . . ?
C25 B22 B26 B23 -134.30(12) . . . . ?
B22 B23 B26 C25 -39.90(10) . . . . ?
B25 B23 B26 C25 60.89(13) . . . . ?
B24 B23 B26 C25 98.31(12) . . . . ?
B31 B23 B26 C25 -2.47(15) . . . . ?
B22 B23 B26 B24 -138.21(12) . . . . ?
B25 B23 B26 B24 -37.42(11) . . . . ?
B31 B23 B26 B24 -100.78(13) . . . . ?
B25 B23 B26 B22 100.79(12) . . . . ?
B24 B23 B26 B22 138.21(12) . . . . ?
B31 B23 B26 B22 37.43(10) . . . . ?
B22 B23 B26 B27 -100.70(11) . . . . ?
B25 B23 B26 B27 0.09(14) . . . . ?
B24 B23 B26 B27 37.51(11) . . . . ?
B31 B23 B26 B27 -63.27(13) . . . . ?
C26 C25 B27 B28 -102.62(13) . . . . ?
C24 C25 B27 B28 36.44(10) . . . . ?
B26 C25 B27 B28 141.02(11) . . . . ?
B22 C25 B27 B28 103.71(11) . . . . ?
C26 C25 B27 B24 156.17(13) . . . . ?
C24 C25 B27 B24 -64.77(14) . . . . ?
B26 C25 B27 B24 39.81(12) . . . . ?
B28 C25 B27 B24 -101.21(13) . . . . ?
B22 C25 B27 B24 2.50(16) . . . . ?
C26 C25 B27 B29 -141.71(12) . . . . ?
C24 C25 B27 B29 -2.66(14) . . . . ?
B26 C25 B27 B29 101.93(12) . . . . ?
B28 C25 B27 B29 -39.10(10) . . . . ?
B22 C25 B27 B29 64.62(14) . . . . ?
C26 C25 B27 B26 116.36(14) . . . . ?
C24 C25 B27 B26 -104.59(11) . . . . ?
B28 C25 B27 B26 -141.02(11) . . . . ?
B22 C25 B27 B26 -37.31(11) . . . . ?
B29 B24 B27 C25 99.00(12) . . . . ?
B23 B24 B27 C25 -1.22(17) . . . . ?
B26 B24 B27 C25 -39.34(11) . . . . ?
B25 B24 B27 C25 61.91(15) . . . . ?
B29 B24 B27 B28 36.53(10) . . . . ?
B23 B24 B27 B28 -63.69(15) . . . . ?
B26 B24 B27 B28 -101.82(12) . . . . ?
B25 B24 B27 B28 -0.56(15) . . . . ?
B23 B24 B27 B29 -100.22(13) . . . . ?
B26 B24 B27 B29 -138.35(11) . . . . ?
B25 B24 B27 B29 -37.09(11) . . . . ?
B29 B24 B27 B26 138.35(11) . . . . ?
B23 B24 B27 B26 38.13(12) . . . . ?
B25 B24 B27 B26 101.25(13) . . . . ?
B24 B26 B27 C25 134.19(12) . . . . ?
B22 B26 B27 C25 35.24(10) . . . . ?
B23 B26 B27 C25 96.77(11) . . . . ?
C25 B26 B27 B28 -34.99(10) . . . . ?
B24 B26 B27 B28 99.19(13) . . . . ?
B22 B26 B27 B28 0.25(15) . . . . ?
B23 B26 B27 B28 61.78(13) . . . . ?
C25 B26 B27 B24 -134.19(12) . . . . ?
B22 B26 B27 B24 -98.94(13) . . . . ?
B23 B26 B27 B24 -37.41(11) . . . . ?
C25 B26 B27 B29 -97.08(11) . . . . ?
B24 B26 B27 B29 37.10(11) . . . . ?
B22 B26 B27 B29 -61.84(14) . . . . ?
B23 B26 B27 B29 -0.31(14) . . . . ?
C26 C25 B28 C24 -100.10(11) . . . . ?
B27 C25 B28 C24 141.51(10) . . . . ?
B26 C25 B28 C24 103.86(11) . . . . ?
B22 C25 B28 C24 36.25(9) . . . . ?
C26 C25 B28 B29 158.52(10) . . . . ?
C24 C25 B28 B29 -101.37(10) . . . . ?
B27 C25 B28 B29 40.14(10) . . . . ?
B26 C25 B28 B29 2.49(14) . . . . ?
B22 C25 B28 B29 -65.12(12) . . . . ?
C26 C25 B28 B30 -137.68(11) . . . . ?
C24 C25 B28 B30 -37.58(9) . . . . ?
B27 C25 B28 B30 103.94(11) . . . . ?
B26 C25 B28 B30 66.28(13) . . . . ?
B22 C25 B28 B30 -1.32(13) . . . . ?
C26 C25 B28 B27 118.39(12) . . . . ?
C24 C25 B28 B27 -141.51(10) . . . . ?
B26 C25 B28 B27 -37.65(11) . . . . ?
B22 C25 B28 B27 -105.26(11) . . . . ?
B1 C24 B28 C25 95.74(11) . . . . ?
B22 C24 B28 C25 -36.74(10) . . . . ?
B31 C24 B28 C25 -101.95(11) . . . . ?
B30 C24 B28 C25 -137.33(10) . . . . ?
C25 C24 B28 B29 96.87(12) . . . . ?
B1 C24 B28 B29 -167.39(11) . . . . ?
B22 C24 B28 B29 60.13(14) . . . . ?
B31 C24 B28 B29 -5.08(14) . . . . ?
B30 C24 B28 B29 -40.47(11) . . . . ?
C25 C24 B28 B30 137.33(10) . . . . ?
B1 C24 B28 B30 -126.92(12) . . . . ?
B22 C24 B28 B30 100.60(11) . . . . ?
B31 C24 B28 B30 35.39(10) . . . . ?
C25 C24 B28 B27 33.21(9) . . . . ?
B1 C24 B28 B27 128.95(11) . . . . ?
B22 C24 B28 B27 -3.53(13) . . . . ?
B31 C24 B28 B27 -68.74(13) . . . . ?
B30 C24 B28 B27 -104.13(11) . . . . ?
B24 B27 B28 C25 97.51(12) . . . . ?
B29 B27 B28 C25 134.54(11) . . . . ?
B26 B27 B28 C25 34.53(10) . . . . ?
C25 B27 B28 C24 -32.63(9) . . . . ?
B24 B27 B28 C24 64.88(13) . . . . ?
B29 B27 B28 C24 101.91(11) . . . . ?
B26 B27 B28 C24 1.90(14) . . . . ?
C25 B27 B28 B29 -134.54(11) . . . . ?
B24 B27 B28 B29 -37.02(11) . . . . ?
B26 B27 B28 B29 -100.00(12) . . . . ?
C25 B27 B28 B30 -96.03(11) . . . . ?
B24 B27 B28 B30 1.49(14) . . . . ?
B29 B27 B28 B30 38.51(10) . . . . ?
B26 B27 B28 B30 -61.49(14) . . . . ?
C25 B28 B29 B25 62.56(14) . . . . ?
C24 B28 B29 B25 3.30(15) . . . . ?
B30 B28 B29 B25 -36.67(11) . . . . ?
B27 B28 B29 B25 101.38(13) . . . . ?
C25 B28 B29 B24 -1.33(14) . . . . ?
C24 B28 B29 B24 -60.58(14) . . . . ?
B30 B28 B29 B24 -100.56(12) . . . . ?
B27 B28 B29 B24 37.49(11) . . . . ?
C25 B28 B29 B27 -38.82(10) . . . . ?
C24 B28 B29 B27 -98.07(11) . . . . ?
B30 B28 B29 B27 -138.05(11) . . . . ?
C25 B28 B29 B30 99.23(11) . . . . ?
C24 B28 B29 B30 39.98(10) . . . . ?
B27 B28 B29 B30 138.05(11) . . . . ?
B23 B25 B29 B28 -64.40(14) . . . . ?
B30 B25 B29 B28 36.47(11) . . . . ?
B31 B25 B29 B28 -0.40(16) . . . . ?
B24 B25 B29 B28 -101.37(13) . . . . ?
B23 B25 B29 B24 36.98(10) . . . . ?
B30 B25 B29 B24 137.85(12) . . . . ?
B31 B25 B29 B24 100.97(13) . . . . ?
B23 B25 B29 B27 -0.37(14) . . . . ?
B30 B25 B29 B27 100.50(11) . . . . ?
B31 B25 B29 B27 63.63(14) . . . . ?
B24 B25 B29 B27 -37.34(10) . . . . ?
B23 B25 B29 B30 -100.87(12) . . . . ?
B31 B25 B29 B30 -36.88(11) . . . . ?
B24 B25 B29 B30 -137.85(12) . . . . ?
B23 B24 B29 B28 64.01(14) . . . . ?
B26 B24 B29 B28 -0.16(15) . . . . ?
B27 B24 B29 B28 -37.69(10) . . . . ?
B25 B24 B29 B28 100.67(12) . . . . ?
B23 B24 B29 B25 -36.67(11) . . . . ?
B26 B24 B29 B25 -100.83(12) . . . . ?
B27 B24 B29 B25 -138.36(11) . . . . ?
B23 B24 B29 B27 101.69(12) . . . . ?
B26 B24 B29 B27 37.53(11) . . . . ?
B25 B24 B29 B27 138.36(11) . . . . ?
B23 B24 B29 B30 1.00(15) . . . . ?
B26 B24 B29 B30 -63.16(14) . . . . ?
B27 B24 B29 B30 -100.69(11) . . . . ?
B25 B24 B29 B30 37.67(10) . . . . ?
C25 B27 B29 B28 39.67(10) . . . . ?
B24 B27 B29 B28 138.20(11) . . . . ?
B26 B27 B29 B28 101.13(11) . . . . ?
C25 B27 B29 B25 -61.04(13) . . . . ?
B28 B27 B29 B25 -100.72(11) . . . . ?
B24 B27 B29 B25 37.48(10) . . . . ?
B26 B27 B29 B25 0.42(14) . . . . ?
C25 B27 B29 B24 -98.52(12) . . . . ?
B28 B27 B29 B24 -138.20(11) . . . . ?
B26 B27 B29 B24 -37.06(10) . . . . ?
C25 B27 B29 B30 2.42(14) . . . . ?
B28 B27 B29 B30 -37.26(10) . . . . ?
B24 B27 B29 B30 100.94(12) . . . . ?
B26 B27 B29 B30 63.88(13) . . . . ?
C25 B28 B30 C24 35.92(8) . . . . ?
B29 B28 B30 C24 135.17(11) . . . . ?
B27 B28 B30 C24 96.90(11) . . . . ?
C25 B28 B30 B31 1.16(13) . . . . ?
C24 B28 B30 B31 -34.76(9) . . . . ?
B29 B28 B30 B31 100.42(12) . . . . ?
B27 B28 B30 B31 62.14(13) . . . . ?
C25 B28 B30 B25 -62.81(12) . . . . ?
C24 B28 B30 B25 -98.73(11) . . . . ?
B29 B28 B30 B25 36.45(11) . . . . ?
B27 B28 B30 B25 -1.83(14) . . . . ?
C25 B28 B30 B29 -99.25(11) . . . . ?
C24 B28 B30 B29 -135.17(11) . . . . ?
B27 B28 B30 B29 -38.27(11) . . . . ?
C25 C24 B30 B28 -39.08(9) . . . . ?
B1 C24 B30 B28 101.70(14) . . . . ?
B22 C24 B30 B28 -105.41(11) . . . . ?
B31 C24 B30 B28 -141.20(11) . . . . ?
C25 C24 B30 B31 102.11(10) . . . . ?
B1 C24 B30 B31 -117.10(14) . . . . ?
B22 C24 B30 B31 35.78(10) . . . . ?
B28 C24 B30 B31 141.20(11) . . . . ?
C25 C24 B30 B25 62.09(12) . . . . ?
B1 C24 B30 B25 -157.12(12) . . . . ?
B22 C24 B30 B25 -4.24(13) . . . . ?
B31 C24 B30 B25 -40.02(10) . . . . ?
B28 C24 B30 B25 101.18(11) . . . . ?
C25 C24 B30 B29 -0.19(12) . . . . ?
B1 C24 B30 B29 140.59(13) . . . . ?
B22 C24 B30 B29 -66.52(12) . . . . ?
B31 C24 B30 B29 -102.31(11) . . . . ?
B28 C24 B30 B29 38.89(10) . . . . ?
B23 B25 B30 B28 64.93(13) . . . . ?
B29 B25 B30 B28 -36.21(10) . . . . ?
B31 B25 B30 B28 102.06(11) . . . . ?
B24 B25 B30 B28 1.45(14) . . . . ?
B23 B25 B30 C24 2.42(14) . . . . ?
B29 B25 B30 C24 -98.72(11) . . . . ?
B31 B25 B30 C24 39.55(10) . . . . ?
B24 B25 B30 C24 -61.06(13) . . . . ?
B23 B25 B30 B31 -37.13(11) . . . . ?
B29 B25 B30 B31 -138.27(12) . . . . ?
B24 B25 B30 B31 -100.61(13) . . . . ?
B23 B25 B30 B29 101.14(13) . . . . ?
B31 B25 B30 B29 138.27(12) . . . . ?
B24 B25 B30 B29 37.66(11) . . . . ?
B25 B29 B30 B28 139.00(12) . . . . ?
B24 B29 B30 B28 101.16(12) . . . . ?
B27 B29 B30 B28 37.69(10) . . . . ?
B28 B29 B30 C24 -39.09(9) . . . . ?
B25 B29 B30 C24 99.90(11) . . . . ?
B24 B29 B30 C24 62.06(13) . . . . ?
B27 B29 B30 C24 -1.40(14) . . . . ?
B28 B29 B30 B31 -101.44(12) . . . . ?
B25 B29 B30 B31 37.56(11) . . . . ?
B24 B29 B30 B31 -0.28(14) . . . . ?
B27 B29 B30 B31 -63.75(13) . . . . ?
B28 B29 B30 B25 -139.00(12) . . . . ?
B24 B29 B30 B25 -37.84(11) . . . . ?
B27 B29 B30 B25 -101.31(13) . . . . ?
C25 C24 B31 B22 39.49(10) . . . . ?
B1 C24 B31 B22 -94.73(13) . . . . ?
B28 C24 B31 B22 105.42(11) . . . . ?
B30 C24 B31 B22 140.72(11) . . . . ?
C25 C24 B31 B30 -101.23(10) . . . . ?
B1 C24 B31 B30 124.55(14) . . . . ?
B22 C24 B31 B30 -140.72(11) . . . . ?
B28 C24 B31 B30 -35.30(10) . . . . ?
C25 C24 B31 B25 -61.15(13) . . . . ?
B1 C24 B31 B25 164.63(12) . . . . ?
B22 C24 B31 B25 -100.65(12) . . . . ?
B28 C24 B31 B25 4.77(14) . . . . ?
B30 C24 B31 B25 40.08(11) . . . . ?
C25 C24 B31 B23 1.02(13) . . . . ?
B1 C24 B31 B23 -133.20(12) . . . . ?
B22 C24 B31 B23 -38.47(10) . . . . ?
B28 C24 B31 B23 66.95(13) . . . . ?
B30 C24 B31 B23 102.26(11) . . . . ?
B23 B22 B31 C24 -135.67(10) . . . . ?
C25 B22 B31 C24 -35.77(8) . . . . ?
B26 B22 B31 C24 -96.75(11) . . . . ?
C24 B22 B31 B30 35.60(9) . . . . ?
B23 B22 B31 B30 -100.07(11) . . . . ?
C25 B22 B31 B30 -0.17(13) . . . . ?
B26 B22 B31 B30 -61.15(13) . . . . ?
C24 B22 B31 B25 99.47(10) . . . . ?
B23 B22 B31 B25 -36.19(10) . . . . ?
C25 B22 B31 B25 63.70(12) . . . . ?
B26 B22 B31 B25 2.72(14) . . . . ?
C24 B22 B31 B23 135.67(10) . . . . ?
C25 B22 B31 B23 99.90(11) . . . . ?
B26 B22 B31 B23 38.92(10) . . . . ?
B28 B30 B31 C24 34.80(9) . . . . ?
B25 B30 B31 C24 134.75(11) . . . . ?
B29 B30 B31 C24 97.52(11) . . . . ?
B28 B30 B31 B22 -0.63(14) . . . . ?
C24 B30 B31 B22 -35.43(9) . . . . ?
B25 B30 B31 B22 99.32(12) . . . . ?
B29 B30 B31 B22 62.09(13) . . . . ?
B28 B30 B31 B25 -99.95(12) . . . . ?
C24 B30 B31 B25 -134.75(11) . . . . ?
B29 B30 B31 B25 -37.23(11) . . . . ?
B28 B30 B31 B23 -63.26(13) . . . . ?
C24 B30 B31 B23 -98.06(11) . . . . ?
B25 B30 B31 B23 36.68(11) . . . . ?
B29 B30 B31 B23 -0.54(14) . . . . ?
B23 B25 B31 C24 98.77(11) . . . . ?
B29 B25 B31 C24 -2.64(15) . . . . ?
B30 B25 B31 C24 -40.01(10) . . . . ?
B24 B25 B31 C24 60.67(14) . . . . ?
B23 B25 B31 B22 35.98(10) . . . . ?
B29 B25 B31 B22 -65.44(14) . . . . ?
B30 B25 B31 B22 -102.81(11) . . . . ?
B24 B25 B31 B22 -2.12(14) . . . . ?
B23 B25 B31 B30 138.78(11) . . . . ?
B29 B25 B31 B30 37.37(11) . . . . ?
B24 B25 B31 B30 100.68(12) . . . . ?
B29 B25 B31 B23 -101.41(13) . . . . ?
B30 B25 B31 B23 -138.78(11) . . . . ?
B24 B25 B31 B23 -38.10(11) . . . . ?
B22 B23 B31 C24 38.86(9) . . . . ?
B25 B23 B31 C24 -100.25(11) . . . . ?
B24 B23 B31 C24 -62.02(13) . . . . ?
B26 B23 B31 C24 0.95(14) . . . . ?
B25 B23 B31 B22 -139.10(11) . . . . ?
B24 B23 B31 B22 -100.88(12) . . . . ?
B26 B23 B31 B22 -37.91(11) . . . . ?
B22 B23 B31 B30 102.05(11) . . . . ?
B25 B23 B31 B30 -37.06(10) . . . . ?
B24 B23 B31 B30 1.16(15) . . . . ?
B26 B23 B31 B30 64.14(14) . . . . ?
B22 B23 B31 B25 139.10(11) . . . . ?
B24 B23 B31 B25 38.22(11) . . . . ?
B26 B23 B31 B25 101.20(12) . . . . ?




####################################################################### 
# 
# 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_3b
_database_code_depnum_ccdc_archive 'CCDC 2355583'
loop_
_audit_author_name
_audit_author_address
'Qing Ye'
;University of Wuerzburg
Germany
;
_audit_update_record             
;
2024-05-15 deposited with the CCDC.	2024-10-03 downloaded from the CCDC.
;
_audit_creation_date             2024-02-20
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_chemical_formula_moiety         'C26 H64 B31 O P, C7 H8'
_chemical_formula_sum            'C33 H72 B31 O P'
_chemical_formula_weight         850.277
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
B 0.00925 0.00394 2.05450 1.33260 1.09790 0.70680 23.21850 1.02100 60.34980
0.14030 -0.19320 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
C 0.01788 0.00908 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.21560 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.00304 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
O 0.04960 0.03234 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.25080 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
P 0.29730 0.43501 6.43450 4.17910 1.78000 1.49080 1.90670 27.15700 0.52600
68.16450 1.11490 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'

_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_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z

_symmetry_Int_Tables_number      2
_cell_length_a                   10.9967(1)
_cell_length_b                   15.5241(2)
_cell_length_c                   15.9285(3)
_cell_angle_alpha                69.719(1)
_cell_angle_beta                 81.164(1)
_cell_angle_gamma                78.446(1)
_cell_volume                     2488.44(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    30514
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      74.6620
_cell_measurement_theta_min      2.9450
_exptl_absorpt_coefficient_mu    0.678
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.814
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
 CrysAlisPro 1.171.42.102a (Rigaku Oxford Diffraction, 2023) Numerical 
 absorption correction based on gaussian integration over a multifaceted 
 crystal model Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_density_diffrn    1.135
_exptl_crystal_description       block
_exptl_crystal_F_000             896.568
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
1 0 0 0.0387
1 1 0 0.0499
-1 1 -1 0.0554
1 -1 1 0.0606
1 0 1 0.0627
0 1 -1 0.0415
0 1 0 0.0401
0 -1 -1 0.0438
0 1 1 0.0557
0 0 1 0.0512
0 0 -1 0.0361
1 -1 -1 0.0470
1 0 -1 0.0445
-1 -1 1 0.0701
1 1 -1 0.0409
1 -1 0 0.0503
-1 1 0 0.0639
0 -2 1 0.0533
-1 -1 -2 0.0410
1 1 2 0.0633
-1 -2 -2 0.0409
1 2 2 0.0607

_exptl_crystal_preparation       
;
 For data collection the crystal was immersed in a film of perfluoropolyether 
 oil, mounted on a polyimide loop and transferred to stream of cold nitrogen 
 (Oxford Cryostream 800).
;
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_diffrn_reflns_av_R_equivalents  0.0300
_diffrn_reflns_av_unetI/netI     0.0170
_diffrn_reflns_Laue_measured_fraction_full 0.9860
_diffrn_reflns_Laue_measured_fraction_max 0.9390
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            45284
_diffrn_reflns_point_group_measured_fraction_full 0.9860
_diffrn_reflns_point_group_measured_fraction_max 0.9390
_diffrn_reflns_theta_full        67.6840
_diffrn_reflns_theta_max         75.14
_diffrn_reflns_theta_min         2.97
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean 10.0
_diffrn_detector_type            'HyPix Arc150'
_diffrn_measured_fraction_theta_full 0.9860
_diffrn_measured_fraction_theta_max 0.9390
_diffrn_measurement_details      
;
 List of Runs (angles in degrees, time in seconds):
 --------------------------------------------------------------------------
  1  ω   -122.00 -89.00   0.50    0.30    --  -74.00 -42.00-164.18   66
  2  ω   -128.00 -94.00   0.50    0.30    --  -79.15 -41.00  61.91   68
  3  ω   -114.00 -81.00   0.50    0.30    --  -66.00 -44.00 150.92   66
  4  ω   -124.00 -55.00   0.50    0.30    --  -75.91 -15.00-150.00  138
  5  ω   -128.00 -93.00   0.50    0.30    --  -79.15 -37.00 146.46   70
  6  ω    -54.00 -28.00   0.50    0.30    --  -14.00 -58.00 -70.06   52
  7  ω    -97.00 -36.00   0.50    0.30    --  -79.15 114.00-114.90  122
  8  ω    -85.00 -17.00   0.50    0.30    --  -61.85 125.00 -30.00  136
  9  ω    -98.00 -35.00   0.50    0.30    --  -79.15 119.00 -69.04  126
 10  ω    -54.00 -28.00   0.50    0.30    --  -14.00 -57.00  -6.60   52
 11  ω   -100.00 -31.00   0.50    0.30    --  -75.91 125.00-150.00  138
 12  ω   -104.00 -74.00   0.50    0.30    --  -58.00 -51.00  15.04   60
 13  ω   -118.00 -88.00   0.50    0.30    --  -74.00 -60.00 144.64   60
 14  ω     28.00  54.00   0.50    0.30    --   14.00  61.00 -99.21   52
 15  ω     58.00  88.00   0.50    0.30    --   42.00  52.00 169.90   60
 16  ω   -126.00 -95.00   0.50    0.30    --  -79.15 -51.00  41.21   62
 17  ω   -115.00 -85.00   0.50    0.30    --  -70.00 -58.00  -1.50   60
 18  ω     50.00  80.00   0.50    0.30    --   34.00  52.00  76.91   60
 19  ω    -88.00 -58.00   0.50    0.30    --  -42.00 -51.00  89.73   60
 20  ω     29.00  97.00   0.50    0.30    --   73.64-125.00 -90.00  136
 21  ω     39.00 100.00   0.50    0.30    --   83.32-125.00  90.00  122
 22  ω   -119.00 -88.00   0.50    0.30    --  -74.00 -57.00 -94.21   62
 23  ω   -124.00 -55.00   0.50    0.30    --  -75.91 -15.00 -60.00  138
 24  ω   -122.00 -95.00   0.50    0.30    --  -79.15 -65.00 -48.69   54
 25  ω    -96.00 -65.00   0.50    0.30    --  -50.00 -52.00 173.22   62
 26  ω   -123.00 -93.00   0.50    0.30    --  -79.15 -62.00-156.98   60
 27  ω   -119.00 -89.00   0.50    0.30    --  -74.00 -56.00 -17.94   60
 28  ω     25.00  55.00   0.50    0.30    --   10.00  57.00 148.80   60
 29  ω     54.00  85.00   0.50    0.30    --   38.00  51.00 -99.74   62
 30  ω   -108.00 -77.00   0.50    0.30    --  -62.00 -52.00  51.38   62
 31  ω   -110.00 -78.00   0.50    0.30    --  -62.00 -46.00  73.75   64
 32  ω    -85.00 -17.00   0.50    0.30    --  -61.85 125.00  60.00  136
 33  ω   -123.00 -87.00   0.50    0.30    --  -74.00 -35.00 -75.75   72
 34  ω    -97.00 -36.00   0.50    0.30    --  -79.15 114.00 117.14  122
 35  ω   -105.00 -74.00   0.50    0.30    --  -58.00 -50.00-148.35   62
 36  ω    -97.00 -35.00   0.50    0.30    --  -79.15 116.00  76.17  124
 37  ω     36.00  97.00   0.50    0.30    --   79.15-115.00  40.22  122
 38  ω     58.00  89.00   0.50    0.30    --   42.00  51.00 -69.34   62
 39  ω     29.00  97.00   0.50    0.30    --   73.64-125.00   0.00  136
 40  ω   -105.00 -74.00   0.50    0.30    --  -58.00 -47.00 -61.50   62
 41  ω     43.00  89.00   0.50    0.30    --   83.32 -95.00 -90.00   92
 42  ω    -36.00 -10.00   0.50    0.30    --  -14.00 121.00 -96.12   52
 43  ω   -124.00 -55.00   0.50    0.30    --  -75.91 -15.00  60.00  138
 44  ω     43.00  89.00   0.50    0.30    --   83.32 -95.00-180.00   92
 45  ω    -97.00 -36.00   0.50    0.30    --  -79.15 114.00-166.49  122
 46  ω     19.00  66.00   0.50    0.30    --   60.18 -95.00   0.00   94
 47  ω     94.00 128.00   0.50    0.30    --   79.15  41.00  51.68   68
 48  ω     43.00  89.00   0.50    0.30    --   83.32 -95.00  90.00   92
 49  ω    -59.00 -19.00   0.50    0.30    --  -30.00 133.00 123.61   80
 50  ω    -97.00 -35.00   0.50    0.30    --  -79.15 116.00  41.98  124
 51  ω   -100.00 -31.00   0.50    0.30    --  -75.91 125.00 120.00  138
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Rigaku XtaLAB Synergy-R'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              13
_reflns_limit_h_min              -13
_reflns_limit_k_max              19
_reflns_limit_k_min              -17
_reflns_limit_l_max              19
_reflns_limit_l_min              0
_reflns_number_gt                9020
_reflns_number_total             9641
_reflns_threshold_expression     I>=2u(I)
_computing_cell_refinement       'CrysAlisPro 1.171.42.102a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.102a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.102a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.5 (Bourhis et al., 2015)'
_computing_structure_solution    "SHELXT 2018/2 (Sheldrick, 2018)'"
_refine_diff_density_max         0.8271
_refine_diff_density_min         -0.4383
_refine_diff_density_rms         0.0988
_refine_ls_d_res_high            0.7976
_refine_ls_d_res_low             14.8782
_refine_ls_goodness_of_fit_ref   1.0242
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    127
_refine_ls_number_parameters     596
_refine_ls_number_reflns         9641
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0722
_refine_ls_R_factor_gt           0.0703
_refine_ls_restrained_S_all      1.0242
_refine_ls_shift/su_max          -0.0005
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0000P)²+12.0003P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1808
_refine_ls_wR_factor_ref         0.1814
_olex2_refinement_description    
;
1.a Ternary CH refined with riding coordinates:
 C1(H1), C7(H7), C20(H20)
1.b Secondary CH2 refined with riding coordinates:
 C2(H2a,H2b), C33(H33a,H33b), C4(H4a,H4b), C5(H5a,H5b), C6(H6a,H6b), C8(H8a,
 H8b), C9(H9a,H9b), C10(H10a,H10b), C11(H11a,H11b), C12(H12a,H12b), C21(H21a,
 H21b), C22(H22a,H22b), C23(H23a,H23b), C24(H24a,H24b), C25(H25a,H25b)
1.c Aromatic/amide H refined with riding coordinates:
 C27(H27a), C28(H28a), C29(H29a), C30(H30a), C31(H31a)
1.d Idealised Me refined as rotating group:
 C32(H32a,H32b,H32c)
1.e Boron cage BH refined with riding coordinates:
 B2(H2), C3(H3), B4(H4), B5(H5), B6(H6), B7(H7a), B8(H8), B9(H9), B10(H10),
 B11(H11), B12(H12), B13(H13), B14(H14), B15(H15), B16(H16), B17(H17), B18(H18),
  B19(H19), B20(H20a), B21(H21), B22(H22), B23(H23), B24(H24), B25(H25),
 B26(H26), B27(H27), B28(H28), B29(H29), B30(H30), B31(H31), B32(H32)
;
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_refinement_flags_posn
P1 P 0.26378(7) 0.39623(5) 0.84278(5) 0.01367(17) Uani 1.000000 .
O1 O 0.33995(19) 0.66687(14) 0.75853(13) 0.0150(4) Uani 1.000000 .
C1 C 0.1447(3) 0.3717(2) 0.9379(2) 0.0171(6) Uani 1.000000 .
H1 H 0.1611(3) 0.4037(2) 0.9788(2) 0.0205(7) Uiso 1.000000 R
B1 B 0.4044(3) 0.7271(2) 0.6731(2) 0.0143(6) Uani 1.000000 .
C2 C 0.1524(3) 0.2681(2) 0.9943(2) 0.0263(7) Uani 1.000000 .
H2a H 0.1352(3) 0.2328(2) 0.9574(2) 0.0315(9) Uiso 1.000000 R
H2b H 0.2375(3) 0.2431(2) 1.0136(2) 0.0315(9) Uiso 1.000000 R
B2 B 0.6650(3) 0.6999(2) 0.6021(2) 0.0127(6) Uani 1.000000 .
H2 H 0.6386(3) 0.7225(2) 0.5316(2) 0.0153(7) Uiso 1.000000 R
C33 C 0.0575(3) 0.2564(3) 1.0769(2) 0.0284(8) Uani 1.000000 .
H33a H 0.0605(3) 0.1893(3) 1.1111(2) 0.0340(9) Uiso 1.000000 R
H33b H 0.0802(3) 0.2867(3) 1.1163(2) 0.0340(9) Uiso 1.000000 R
C3 C 0.6511(3) 0.7806(3) 0.6536(2) 0.0265(7) Uani 1.000000 .
H3 H 0.6160(3) 0.8561(3) 0.6207(2) 0.0318(9) Uiso 1.000000 R
C4 C -0.0740(3) 0.2983(3) 1.0513(2) 0.0262(7) Uani 1.000000 .
H4a H -0.1001(3) 0.2639(3) 1.0169(2) 0.0314(9) Uiso 1.000000 R
H4b H -0.1318(3) 0.2919(3) 1.1066(2) 0.0314(9) Uiso 1.000000 R
B4 B 0.7686(3) 0.7451(3) 0.7265(3) 0.0214(7) Uani 1.000000 .
H4 H 0.8124(3) 0.7956(3) 0.7432(3) 0.0257(9) Uiso 1.000000 R
C5 C -0.0817(3) 0.4009(3) 0.9948(2) 0.0260(7) Uani 1.000000 .
H5a H -0.0638(3) 0.4363(3) 1.0314(2) 0.0312(9) Uiso 1.000000 R
H5b H -0.1672(3) 0.4257(3) 0.9764(2) 0.0312(9) Uiso 1.000000 R
B5 B 0.7987(3) 0.7294(3) 0.6193(3) 0.0220(7) Uani 1.000000 .
H5 H 0.8624(3) 0.7697(3) 0.5644(3) 0.0264(9) Uiso 1.000000 R
C6 C 0.0113(3) 0.4138(2) 0.9112(2) 0.0199(6) Uani 1.000000 .
H6a H -0.0111(3) 0.3832(2) 0.8719(2) 0.0238(8) Uiso 1.000000 R
H6b H 0.0075(3) 0.4809(2) 0.8771(2) 0.0238(8) Uiso 1.000000 R
B6 B 0.8558(3) 0.6388(3) 0.7149(3) 0.0221(7) Uani 1.000000 .
H6 H 0.9577(3) 0.6191(3) 0.7243(3) 0.0265(9) Uiso 1.000000 R
C7 C 0.4124(3) 0.3266(2) 0.8801(2) 0.0177(6) Uani 1.000000 .
H7 H 0.4023(3) 0.2596(2) 0.9007(2) 0.0213(7) Uiso 1.000000 R
B7 B 0.7534(3) 0.5542(2) 0.7491(2) 0.0184(7) Uani 1.000000 .
H7a H 0.7881(3) 0.4783(2) 0.7807(2) 0.0221(8) Uiso 1.000000 R
C8 C 0.4480(3) 0.3470(2) 0.9603(2) 0.0219(7) Uani 1.000000 .
H8a H 0.4581(3) 0.4131(2) 0.9421(2) 0.0263(8) Uiso 1.000000 R
H8b H 0.3807(3) 0.3354(2) 1.0099(2) 0.0263(8) Uiso 1.000000 R
B8 B 0.7408(3) 0.6359(3) 0.8073(2) 0.0196(7) Uani 1.000000 .
H8 H 0.7670(3) 0.6139(3) 0.8778(2) 0.0235(9) Uiso 1.000000 R
C9 C 0.5697(3) 0.2848(3) 0.9927(2) 0.0262(7) Uani 1.000000 .
H9a H 0.5943(3) 0.3014(3) 1.0417(2) 0.0314(9) Uiso 1.000000 R
H9b H 0.5565(3) 0.2191(3) 1.0172(2) 0.0314(9) Uiso 1.000000 R
B9 B 0.7890(3) 0.6117(3) 0.6336(2) 0.0215(7) Uani 1.000000 .
H9 H 0.8461(3) 0.5743(3) 0.5884(2) 0.0258(9) Uiso 1.000000 R
C10 C 0.6745(3) 0.2953(3) 0.9167(2) 0.0279(8) Uani 1.000000 .
H10a H 0.7495(3) 0.2504(3) 0.9389(2) 0.0335(9) Uiso 1.000000 R
H10b H 0.6957(3) 0.3587(3) 0.8980(2) 0.0335(9) Uiso 1.000000 R
B10 B 0.3673(3) 0.9335(2) 0.5836(2) 0.0171(7) Uani 1.000000 .
H10 H 0.4500(3) 0.9335(2) 0.5328(2) 0.0205(8) Uiso 1.000000 R
C11 C 0.6381(3) 0.2786(3) 0.8360(3) 0.0315(8) Uani 1.000000 .
H11a H 0.7057(3) 0.2906(3) 0.7867(3) 0.0378(10) Uiso 1.000000 R
H11b H 0.6275(3) 0.2127(3) 0.8526(3) 0.0378(10) Uiso 1.000000 R
B11 B 0.3844(3) 0.9265(2) 0.6936(2) 0.0164(7) Uani 1.000000 .
H11 H 0.4780(3) 0.9214(2) 0.7160(2) 0.0196(8) Uiso 1.000000 R
C12 C 0.5169(3) 0.3414(2) 0.8031(2) 0.0240(7) Uani 1.000000 .
H12a H 0.5292(3) 0.4073(2) 0.7812(2) 0.0287(8) Uiso 1.000000 R
H12b H 0.4932(3) 0.3269(2) 0.7526(2) 0.0287(8) Uiso 1.000000 R
B12 B 0.2480(3) 0.9901(2) 0.7322(2) 0.0185(7) Uani 1.000000 .
H12 H 0.2509(3) 1.0279(2) 0.7801(2) 0.0222(8) Uiso 1.000000 R
C13 C 0.2781(3) 0.5114(2) 0.8101(2) 0.0162(6) Uani 1.000000 .
B13 B 0.1447(3) 1.0353(2) 0.6445(2) 0.0199(7) Uani 1.000000 .
H13 H 0.0801(3) 1.1030(2) 0.6342(2) 0.0239(9) Uiso 1.000000 R
C14 C 0.3128(3) 0.5860(2) 0.78092(19) 0.0135(6) Uani 1.000000 .
B14 B 0.3084(3) 1.0307(2) 0.6175(2) 0.0191(7) Uani 1.000000 .
H14 H 0.3513(3) 1.0957(2) 0.5892(2) 0.0229(8) Uiso 1.000000 R
C15 C 0.3364(3) 0.8351(2) 0.67335(19) 0.0129(6) Uani 1.000000 .
B15 B 0.1198(3) 0.9345(2) 0.7377(2) 0.0197(7) Uani 1.000000 .
H15 H 0.0383(3) 0.9360(2) 0.7891(2) 0.0236(9) Uiso 1.000000 R
C16 C 0.2402(3) 0.8791(2) 0.59349(19) 0.0143(6) Uani 1.000000 .
B16 B 0.1755(3) 0.8373(2) 0.7042(2) 0.0160(7) Uani 1.000000 .
H16 H 0.1303(3) 0.7733(2) 0.7336(2) 0.0192(8) Uiso 1.000000 R
C17 C 0.2556(3) 0.8136(2) 0.5383(2) 0.0148(6) Uani 1.000000 .
B17 B 0.2695(3) 0.8667(2) 0.7669(2) 0.0165(7) Uani 1.000000 .
H17 H 0.2884(3) 0.8219(2) 0.8372(2) 0.0199(8) Uiso 1.000000 R
C18 C 0.3576(3) 0.7179(2) 0.5807(2) 0.0146(6) Uani 1.000000 .
B18 B 0.2177(3) 0.9985(2) 0.5519(2) 0.0178(7) Uani 1.000000 .
H18 H 0.2008(3) 1.0403(2) 0.4805(2) 0.0214(8) Uiso 1.000000 R
C19 C 0.5547(3) 0.6979(2) 0.6876(2) 0.0155(6) Uani 1.000000 .
B19 B 0.1009(3) 0.9385(2) 0.6264(2) 0.0179(7) Uani 1.000000 .
H19 H 0.0085(3) 0.9410(2) 0.6036(2) 0.0215(8) Uiso 1.000000 R
C20 C 0.2336(3) 0.3724(2) 0.7441(2) 0.0160(6) Uani 1.000000 .
H20 H 0.3087(3) 0.3853(2) 0.7003(2) 0.0192(7) Uiso 1.000000 R
B20 B 0.1374(3) 0.7928(2) 0.4928(2) 0.0184(7) Uani 1.000000 .
H20a H 0.0394(3) 0.8307(2) 0.4940(2) 0.0221(8) Uiso 1.000000 R
C21 C 0.2262(3) 0.2692(2) 0.7634(2) 0.0245(7) Uani 1.000000 .
H21a H 0.3003(3) 0.2296(2) 0.7931(2) 0.0294(9) Uiso 1.000000 R
H21b H 0.1509(3) 0.2524(2) 0.8042(2) 0.0294(9) Uiso 1.000000 R
B21 B 0.2123(3) 0.7573(3) 0.4001(2) 0.0205(7) Uani 1.000000 .
H21 H 0.1628(3) 0.7713(3) 0.3392(2) 0.0245(9) Uiso 1.000000 R
C22 C 0.2209(4) 0.2527(2) 0.6749(2) 0.0275(8) Uani 1.000000 .
H22a H 0.2997(4) 0.2642(2) 0.6365(2) 0.0330(9) Uiso 1.000000 R
H22b H 0.2123(4) 0.1871(2) 0.6873(2) 0.0330(9) Uiso 1.000000 R
B22 B 0.3193(3) 0.6532(3) 0.4417(2) 0.0197(7) Uani 1.000000 .
H22 H 0.3403(3) 0.5985(3) 0.4082(2) 0.0236(9) Uiso 1.000000 R
C23 C 0.1117(3) 0.3164(2) 0.6247(2) 0.0245(7) Uani 1.000000 .
H23a H 0.1125(3) 0.3058(2) 0.5668(2) 0.0294(9) Uiso 1.000000 R
H23b H 0.0324(3) 0.3012(2) 0.6607(2) 0.0294(9) Uiso 1.000000 R
B23 B 0.3740(4) 0.7620(3) 0.3920(2) 0.0201(7) Uani 1.000000 .
H23 H 0.4316(4) 0.7793(3) 0.3257(2) 0.0242(9) Uiso 1.000000 R
C24 C 0.1190(3) 0.4185(2) 0.6071(2) 0.0209(7) Uani 1.000000 .
H24a H 0.1948(3) 0.4352(2) 0.5668(2) 0.0251(8) Uiso 1.000000 R
H24b H 0.0456(3) 0.4583(2) 0.5766(2) 0.0251(8) Uiso 1.000000 R
B24 B 0.1741(3) 0.6717(2) 0.5044(2) 0.0185(7) Uani 1.000000 .
H24 H 0.0995(3) 0.6290(2) 0.5124(2) 0.0223(8) Uiso 1.000000 R
C25 C 0.1227(3) 0.4366(2) 0.6951(2) 0.0184(6) Uani 1.000000 .
H25a H 0.0441(3) 0.4248(2) 0.7336(2) 0.0221(7) Uiso 1.000000 R
H25b H 0.1311(3) 0.5024(2) 0.6822(2) 0.0221(7) Uiso 1.000000 R
B25 B 0.1996(3) 0.7087(2) 0.5911(2) 0.0165(7) Uani 1.000000 .
H25 H 0.1418(3) 0.6903(2) 0.6573(2) 0.0198(8) Uiso 1.000000 R
C26 C 0.8481(4) 0.0616(3) 0.8966(3) 0.0365(9) Uani 1.000000 .
B26 B 0.3137(3) 0.6245(2) 0.5614(2) 0.0166(7) Uani 1.000000 .
H26 H 0.3326(3) 0.5512(2) 0.6076(2) 0.0199(8) Uiso 1.000000 R
C27 C 0.7979(4) 0.0369(3) 0.8346(3) 0.0364(9) Uani 1.000000 .
H27a H 0.8313(4) 0.0547(3) 0.7735(3) 0.0437(11) Uiso 1.000000 R
B27 B 0.4350(3) 0.6795(2) 0.4917(2) 0.0182(7) Uani 1.000000 .
H27 H 0.5331(3) 0.6415(2) 0.4922(2) 0.0219(8) Uiso 1.000000 R
C28 C 0.7002(4) -0.0130(3) 0.8608(4) 0.0482(11) Uani 1.000000 .
H28a H 0.6676(4) -0.0303(3) 0.8181(4) 0.0578(13) Uiso 1.000000 R
B28 B 0.4009(3) 0.7983(2) 0.4788(2) 0.0176(7) Uani 1.000000 .
H28 H 0.4773(3) 0.8394(2) 0.4706(2) 0.0211(8) Uiso 1.000000 R
C29 C 0.6495(5) -0.0380(3) 0.9497(4) 0.0559(13) Uani 1.000000 .
H29a H 0.5819(5) -0.0721(3) 0.9678(4) 0.0671(16) Uiso 1.000000 R
B29 B 0.2616(3) 0.8484(3) 0.4234(2) 0.0189(7) Uani 1.000000 .
H29 H 0.2450(3) 0.9228(3) 0.3793(2) 0.0227(8) Uiso 1.000000 R
C30 C 0.6971(5) -0.0135(3) 1.0115(3) 0.0525(12) Uani 1.000000 .
H30a H 0.6620(5) -0.0303(3) 1.0722(3) 0.0630(15) Uiso 1.000000 R
B30 B 0.6327(3) 0.5939(2) 0.6756(2) 0.0189(7) Uani 1.000000 .
H30 H 0.5861(3) 0.5455(2) 0.6579(2) 0.0226(8) Uiso 1.000000 R
C31 C 0.7967(4) 0.0358(3) 0.9852(3) 0.0440(10) Uani 1.000000 .
H31a H 0.8298(4) 0.0520(3) 1.0284(3) 0.0528(12) Uiso 1.000000 R
B31 B 0.6043(3) 0.6082(3) 0.7828(2) 0.0186(7) Uani 1.000000 .
H31 H 0.5396(3) 0.5681(3) 0.8369(2) 0.0224(8) Uiso 1.000000 R
C32 C 0.9535(4) 0.1182(3) 0.8669(3) 0.0458(11) Uani 1.000000 .
H32a H 1.0184(15) 0.0910(14) 0.8298(19) 0.0687(16) Uiso 1.000000 GR
H32b H 0.9216(7) 0.1823(7) 0.8319(19) 0.0687(16) Uiso 1.000000 GR
H32c H 0.989(2) 0.1180(19) 0.9199(3) 0.0687(16) Uiso 1.000000 GR
B32 B 0.6132(3) 0.7250(3) 0.7687(2) 0.0197(7) Uani 1.000000 .
H32 H 0.5539(3) 0.7623(3) 0.8132(2) 0.0237(9) Uiso 1.000000 R


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
P1 C1 1.829(3) . ?
P1 C7 1.827(3) . ?
P1 C13 1.713(3) . ?
P1 C20 1.825(3) . ?
O1 B1 1.522(4) . ?
O1 C14 1.265(4) . ?
C1 H1 1.0000 . ?
C1 C2 1.540(4) . ?
C1 C6 1.541(4) . ?
B1 C15 1.695(4) . ?
B1 C18 1.691(4) . ?
B1 C19 1.654(4) . ?
C2 H2a 0.9900 . ?
C2 H2b 0.9900 . ?
C2 C33 1.530(5) . ?
B2 H2 1.1200 . ?
B2 C3 1.691(5) . ?
B2 B5 1.711(5) . ?
B2 B9 1.724(5) . ?
B2 C19 1.675(4) . ?
B2 B30 1.725(5) . ?
C33 H33a 0.9900 . ?
C33 H33b 0.9900 . ?
C33 C4 1.517(5) . ?
C3 H3 1.1200 . ?
C3 B4 1.747(5) . ?
C3 B5 1.754(5) . ?
C3 C19 1.717(4) . ?
C3 B32 1.758(5) . ?
C4 H4a 0.9900 . ?
C4 H4b 0.9900 . ?
C4 C5 1.526(5) . ?
B4 H4 1.1200 . ?
B4 B5 1.779(5) . ?
B4 B6 1.788(5) . ?
B4 B8 1.788(5) . ?
B4 B32 1.784(5) . ?
C5 H5a 0.9900 . ?
C5 H5b 0.9900 . ?
C5 C6 1.530(4) . ?
B5 H5 1.1200 . ?
B5 B6 1.774(5) . ?
B5 B9 1.784(5) . ?
C6 H6a 0.9900 . ?
C6 H6b 0.9900 . ?
B6 H6 1.1200 . ?
B6 B7 1.787(5) . ?
B6 B8 1.781(5) . ?
B6 B9 1.785(5) . ?
C7 H7 1.0000 . ?
C7 C8 1.538(4) . ?
C7 C12 1.535(4) . ?
B7 H7a 1.1200 . ?
B7 B8 1.786(5) . ?
B7 B9 1.765(5) . ?
B7 B30 1.778(5) . ?
B7 B31 1.781(5) . ?
C8 H8a 0.9900 . ?
C8 H8b 0.9900 . ?
C8 C9 1.529(4) . ?
B8 H8 1.1200 . ?
B8 B31 1.773(5) . ?
B8 B32 1.777(5) . ?
C9 H9a 0.9900 . ?
C9 H9b 0.9900 . ?
C9 C10 1.526(5) . ?
B9 H9 1.1200 . ?
B9 B30 1.785(5) . ?
C10 H10a 0.9900 . ?
C10 H10b 0.9900 . ?
C10 C11 1.521(5) . ?
B10 H10 1.1200 . ?
B10 B11 1.754(5) . ?
B10 B14 1.748(5) . ?
B10 C15 1.743(4) . ?
B10 C16 1.734(4) . ?
B10 B18 1.793(5) . ?
C11 H11a 0.9900 . ?
C11 H11b 0.9900 . ?
C11 C12 1.530(4) . ?
B11 H11 1.1200 . ?
B11 B12 1.775(5) . ?
B11 B14 1.788(5) . ?
B11 C15 1.750(4) . ?
B11 B17 1.757(5) . ?
C12 H12a 0.9900 . ?
C12 H12b 0.9900 . ?
B12 H12 1.1200 . ?
B12 B13 1.795(5) . ?
B12 B14 1.781(5) . ?
B12 B15 1.770(5) . ?
B12 B17 1.776(5) . ?
C13 C14 1.206(4) . ?
B13 H13 1.1200 . ?
B13 B14 1.778(5) . ?
B13 B15 1.778(5) . ?
B13 B18 1.783(5) . ?
B13 B19 1.790(5) . ?
B14 H14 1.1200 . ?
B14 B18 1.794(5) . ?
C15 C16 1.651(4) . ?
C15 B16 1.760(4) . ?
C15 B17 1.740(4) . ?
B15 H15 1.1200 . ?
B15 B16 1.739(5) . ?
B15 B17 1.799(5) . ?
B15 B19 1.794(5) . ?
C16 B16 1.745(4) . ?
C16 C17 1.529(4) . ?
C16 B18 1.718(4) . ?
C16 B19 1.731(4) . ?
B16 H16 1.1200 . ?
B16 B17 1.760(5) . ?
B16 B19 1.767(5) . ?
C17 C18 1.671(4) . ?
C17 B20 1.715(4) . ?
C17 B25 1.742(4) . ?
C17 B28 1.746(4) . ?
C17 B29 1.714(4) . ?
B17 H17 1.1200 . ?
C18 B25 1.750(4) . ?
C18 B26 1.750(4) . ?
C18 B27 1.761(4) . ?
C18 B28 1.736(4) . ?
B18 H18 1.1200 . ?
B18 B19 1.780(5) . ?
C19 B30 1.729(5) . ?
C19 B31 1.738(4) . ?
C19 B32 1.731(5) . ?
B19 H19 1.1200 . ?
C20 H20 1.0000 . ?
C20 C21 1.540(4) . ?
C20 C25 1.535(4) . ?
B20 H20a 1.1200 . ?
B20 B21 1.780(5) . ?
B20 B24 1.792(5) . ?
B20 B25 1.783(5) . ?
B20 B29 1.783(5) . ?
C21 H21a 0.9900 . ?
C21 H21b 0.9900 . ?
C21 C22 1.529(5) . ?
B21 H21 1.1200 . ?
B21 B22 1.781(5) . ?
B21 B23 1.778(5) . ?
B21 B24 1.783(5) . ?
B21 B29 1.778(5) . ?
C22 H22a 0.9900 . ?
C22 H22b 0.9900 . ?
C22 C23 1.526(5) . ?
B22 H22 1.1200 . ?
B22 B23 1.781(5) . ?
B22 B24 1.777(5) . ?
B22 B26 1.795(5) . ?
B22 B27 1.779(5) . ?
C23 H23a 0.9900 . ?
C23 H23b 0.9900 . ?
C23 C24 1.528(5) . ?
B23 H23 1.1200 . ?
B23 B27 1.785(5) . ?
B23 B28 1.746(5) . ?
B23 B29 1.786(5) . ?
C24 H24a 0.9900 . ?
C24 H24b 0.9900 . ?
C24 C25 1.529(4) . ?
B24 H24 1.1200 . ?
B24 B25 1.746(5) . ?
B24 B26 1.798(5) . ?
C25 H25a 0.9900 . ?
C25 H25b 0.9900 . ?
B25 H25 1.1200 . ?
B25 B26 1.759(5) . ?
C26 C27 1.394(6) . ?
C26 C31 1.388(6) . ?
C26 C32 1.514(6) . ?
B26 H26 1.1200 . ?
B26 B27 1.756(5) . ?
C27 H27a 0.9500 . ?
C27 C28 1.378(6) . ?
B27 H27 1.1200 . ?
B27 B28 1.751(5) . ?
C28 H28a 0.9500 . ?
C28 C29 1.390(7) . ?
B28 H28 1.1200 . ?
B28 B29 1.786(5) . ?
C29 H29a 0.9500 . ?
C29 C30 1.372(8) . ?
B29 H29 1.1200 . ?
C30 H30a 0.9500 . ?
C30 C31 1.391(7) . ?
B30 H30 1.1200 . ?
B30 B31 1.770(5) . ?
C31 H31a 0.9500 . ?
B31 H31 1.1200 . ?
B31 B32 1.769(5) . ?
C32 H32a 0.9800 . ?
C32 H32b 0.9800 . ?
C32 H32c 0.9800 . ?
B32 H32 1.1200 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C7 P1 C1 108.40(14) . . ?
C13 P1 C1 108.75(14) . . ?
C13 P1 C7 108.36(15) . . ?
C20 P1 C1 115.40(14) . . ?
C20 P1 C7 108.19(14) . . ?
C20 P1 C13 107.56(14) . . ?
C14 O1 B1 132.3(2) . . ?
H1 C1 P1 105.98(10) . . ?
C2 C1 P1 114.2(2) . . ?
C2 C1 H1 105.98(18) . . ?
C6 C1 P1 113.2(2) . . ?
C6 C1 H1 105.98(17) . . ?
C6 C1 C2 110.8(3) . . ?
C15 B1 O1 101.1(2) . . ?
C18 B1 O1 111.1(2) . . ?
C18 B1 C15 104.1(2) . . ?
C19 B1 O1 104.9(2) . . ?
C19 B1 C15 116.8(2) . . ?
C19 B1 C18 117.7(2) . . ?
H2a C2 C1 109.69(18) . . ?
H2b C2 C1 109.69(17) . . ?
H2b C2 H2a 108.2 . . ?
C33 C2 C1 109.9(3) . . ?
C33 C2 H2a 109.7(2) . . ?
C33 C2 H2b 109.69(18) . . ?
C3 B2 H2 119.01(17) . . ?
B5 B2 H2 118.32(17) . . ?
B5 B2 C3 62.1(2) . . ?
B9 B2 H2 118.75(16) . . ?
B9 B2 C3 113.0(3) . . ?
B9 B2 B5 62.6(2) . . ?
C19 B2 H2 120.22(15) . . ?
C19 B2 C3 61.33(19) . . ?
C19 B2 B5 112.0(2) . . ?
C19 B2 B9 111.6(2) . . ?
B30 B2 H2 118.62(16) . . ?
B30 B2 C3 112.5(3) . . ?
B30 B2 B5 113.9(3) . . ?
B30 B2 B9 62.3(2) . . ?
B30 B2 C19 61.10(19) . . ?
H33a C33 C2 109.22(19) . . ?
H33b C33 C2 109.22(19) . . ?
H33b C33 H33a 107.9 . . ?
C4 C33 C2 112.0(3) . . ?
C4 C33 H33a 109.22(18) . . ?
C4 C33 H33b 109.2(2) . . ?
H3 C3 B2 123.14(17) . . ?
B4 C3 B2 107.5(3) . . ?
B4 C3 H3 120.96(17) . . ?
B5 C3 B2 59.5(2) . . ?
B5 C3 H3 120.75(17) . . ?
B5 C3 B4 61.1(2) . . ?
C19 C3 B2 58.88(18) . . ?
C19 C3 H3 122.17(16) . . ?
C19 C3 B4 108.5(3) . . ?
C19 C3 B5 108.0(2) . . ?
B32 C3 B2 106.9(3) . . ?
B32 C3 H3 121.07(17) . . ?
B32 C3 B4 61.2(2) . . ?
B32 C3 B5 110.0(3) . . ?
B32 C3 C19 59.74(19) . . ?
H4a C4 C33 109.4(2) . . ?
H4b C4 C33 109.44(18) . . ?
H4b C4 H4a 108.0 . . ?
C5 C4 C33 111.0(3) . . ?
C5 C4 H4a 109.44(18) . . ?
C5 C4 H4b 109.44(18) . . ?
H4 B4 C3 122.53(17) . . ?
B5 B4 C3 59.6(2) . . ?
B5 B4 H4 121.97(17) . . ?
B6 B4 C3 106.9(3) . . ?
B6 B4 H4 122.19(17) . . ?
B6 B4 B5 59.7(2) . . ?
B8 B4 C3 106.7(3) . . ?
B8 B4 H4 122.34(17) . . ?
B8 B4 B5 107.3(3) . . ?
B8 B4 B6 59.7(2) . . ?
B32 B4 C3 59.7(2) . . ?
B32 B4 H4 121.85(17) . . ?
B32 B4 B5 107.7(3) . . ?
B32 B4 B6 107.5(3) . . ?
B32 B4 B8 59.6(2) . . ?
H5a C5 C4 109.46(18) . . ?
H5b C5 C4 109.46(18) . . ?
H5b C5 H5a 108.0 . . ?
C6 C5 C4 110.9(3) . . ?
C6 C5 H5a 109.46(18) . . ?
C6 C5 H5b 109.46(18) . . ?
C3 B5 B2 58.42(19) . . ?
B4 B5 B2 105.2(2) . . ?
B4 B5 C3 59.3(2) . . ?
H5 B5 B2 124.15(17) . . ?
H5 B5 C3 122.54(17) . . ?
H5 B5 B4 122.08(17) . . ?
B6 B5 B2 105.6(3) . . ?
B6 B5 C3 107.2(3) . . ?
B6 B5 B4 60.4(2) . . ?
B6 B5 H5 122.09(17) . . ?
B9 B5 B2 59.1(2) . . ?
B9 B5 C3 107.2(3) . . ?
B9 B5 B4 108.5(3) . . ?
B9 B5 H5 121.42(17) . . ?
B9 B5 B6 60.2(2) . . ?
C5 C6 C1 110.5(3) . . ?
H6a C6 C1 109.55(17) . . ?
H6a C6 C5 109.55(18) . . ?
H6b C6 C1 109.55(16) . . ?
H6b C6 C5 109.55(19) . . ?
H6b C6 H6a 108.1 . . ?
B5 B6 B4 59.9(2) . . ?
H6 B6 B4 121.52(17) . . ?
H6 B6 B5 121.85(17) . . ?
B7 B6 B4 108.1(3) . . ?
B7 B6 B5 107.5(3) . . ?
B7 B6 H6 122.03(16) . . ?
B8 B6 B4 60.1(2) . . ?
B8 B6 B5 107.8(3) . . ?
B8 B6 H6 121.81(17) . . ?
B8 B6 B7 60.1(2) . . ?
B9 B6 B4 108.0(3) . . ?
B9 B6 B5 60.2(2) . . ?
B9 B6 H6 122.03(17) . . ?
B9 B6 B7 59.2(2) . . ?
B9 B6 B8 107.5(3) . . ?
H7 C7 P1 107.70(10) . . ?
C8 C7 P1 111.3(2) . . ?
C8 C7 H7 107.70(17) . . ?
C12 C7 P1 111.5(2) . . ?
C12 C7 H7 107.70(18) . . ?
C12 C7 C8 110.7(3) . . ?
H7a B7 B6 121.67(16) . . ?
B8 B7 B6 59.8(2) . . ?
B8 B7 H7a 122.10(16) . . ?
B9 B7 B6 60.3(2) . . ?
B9 B7 H7a 121.23(17) . . ?
B9 B7 B8 108.1(3) . . ?
B30 B7 B6 108.3(3) . . ?
B30 B7 H7a 121.72(16) . . ?
B30 B7 B8 107.5(2) . . ?
B30 B7 B9 60.5(2) . . ?
B31 B7 B6 107.6(3) . . ?
B31 B7 H7a 122.05(16) . . ?
B31 B7 B8 59.6(2) . . ?
B31 B7 B9 108.2(2) . . ?
B31 B7 B30 59.6(2) . . ?
H8a C8 C7 109.63(17) . . ?
H8b C8 C7 109.63(17) . . ?
H8b C8 H8a 108.1 . . ?
C9 C8 C7 110.1(3) . . ?
C9 C8 H8a 109.63(19) . . ?
C9 C8 H8b 109.63(18) . . ?
B6 B8 B4 60.1(2) . . ?
B7 B8 B4 108.1(3) . . ?
B7 B8 B6 60.1(2) . . ?
H8 B8 B4 121.62(17) . . ?
H8 B8 B6 121.48(17) . . ?
H8 B8 B7 121.72(16) . . ?
B31 B8 B4 108.0(2) . . ?
B31 B8 B6 108.2(3) . . ?
B31 B8 B7 60.0(2) . . ?
B31 B8 H8 121.73(16) . . ?
B32 B8 B4 60.1(2) . . ?
B32 B8 B6 108.2(3) . . ?
B32 B8 B7 107.8(2) . . ?
B32 B8 H8 121.82(16) . . ?
B32 B8 B31 59.8(2) . . ?
H9a C9 C8 109.30(18) . . ?
H9b C9 C8 109.30(19) . . ?
H9b C9 H9a 108.0 . . ?
C10 C9 C8 111.6(3) . . ?
C10 C9 H9a 109.30(19) . . ?
C10 C9 H9b 109.3(2) . . ?
B5 B9 B2 58.34(19) . . ?
B6 B9 B2 104.6(3) . . ?
B6 B9 B5 59.6(2) . . ?
B7 B9 B2 105.3(2) . . ?
B7 B9 B5 108.0(3) . . ?
B7 B9 B6 60.5(2) . . ?
H9 B9 B2 124.66(16) . . ?
H9 B9 B5 121.95(17) . . ?
H9 B9 B6 122.36(17) . . ?
H9 B9 B7 121.89(17) . . ?
B30 B9 B2 58.85(19) . . ?
B30 B9 B5 107.5(2) . . ?
B30 B9 B6 108.1(3) . . ?
B30 B9 B7 60.1(2) . . ?
B30 B9 H9 121.54(17) . . ?
H10a C10 C9 109.25(19) . . ?
H10b C10 C9 109.2(2) . . ?
H10b C10 H10a 107.9 . . ?
C11 C10 C9 111.8(3) . . ?
C11 C10 H10a 109.25(19) . . ?
C11 C10 H10b 109.2(2) . . ?
B11 B10 H10 121.02(16) . . ?
B14 B10 H10 121.33(16) . . ?
B14 B10 B11 61.4(2) . . ?
C15 B10 H10 123.35(15) . . ?
C15 B10 B11 60.04(18) . . ?
C15 B10 B14 107.7(2) . . ?
C16 B10 H10 125.25(15) . . ?
C16 B10 B11 105.0(2) . . ?
C16 B10 B14 105.4(2) . . ?
C16 B10 C15 56.71(17) . . ?
B18 B10 H10 121.67(16) . . ?
B18 B10 B11 109.6(2) . . ?
B18 B10 B14 60.8(2) . . ?
B18 B10 C15 105.5(2) . . ?
B18 B10 C16 58.28(18) . . ?
H11a C11 C10 109.3(2) . . ?
H11b C11 C10 109.3(2) . . ?
H11b C11 H11a 108.0 . . ?
C12 C11 C10 111.5(3) . . ?
C12 C11 H11a 109.3(2) . . ?
C12 C11 H11b 109.3(2) . . ?
H11 B11 B10 121.62(16) . . ?
B12 B11 B10 107.7(2) . . ?
B12 B11 H11 122.01(16) . . ?
B14 B11 B10 59.1(2) . . ?
B14 B11 H11 122.56(16) . . ?
B14 B11 B12 60.0(2) . . ?
C15 B11 B10 59.64(18) . . ?
C15 B11 H11 123.40(15) . . ?
C15 B11 B12 106.3(2) . . ?
C15 B11 B14 105.6(2) . . ?
B17 B11 B10 108.7(2) . . ?
B17 B11 H11 120.96(16) . . ?
B17 B11 B12 60.39(19) . . ?
B17 B11 B14 108.3(2) . . ?
B17 B11 C15 59.50(18) . . ?
C11 C12 C7 109.9(3) . . ?
H12a C12 C7 109.69(18) . . ?
H12a C12 C11 109.7(2) . . ?
H12b C12 C7 109.69(17) . . ?
H12b C12 C11 109.69(19) . . ?
H12b C12 H12a 108.2 . . ?
H12 B12 B11 121.68(16) . . ?
B13 B12 B11 108.1(2) . . ?
B13 B12 H12 121.80(16) . . ?
B14 B12 B11 60.4(2) . . ?
B14 B12 H12 121.96(16) . . ?
B14 B12 B13 59.6(2) . . ?
B15 B12 B11 108.4(2) . . ?
B15 B12 H12 121.38(17) . . ?
B15 B12 B13 59.8(2) . . ?
B15 B12 B14 107.8(3) . . ?
B17 B12 B11 59.33(19) . . ?
B17 B12 H12 121.62(16) . . ?
B17 B12 B13 108.3(2) . . ?
B17 B12 B14 107.7(2) . . ?
B17 B12 B15 60.9(2) . . ?
C14 C13 P1 166.5(3) . . ?
H13 B13 B12 122.04(16) . . ?
B14 B13 B12 59.8(2) . . ?
B14 B13 H13 121.68(16) . . ?
B15 B13 B12 59.4(2) . . ?
B15 B13 H13 121.90(16) . . ?
B15 B13 B14 107.6(3) . . ?
B18 B13 B12 108.1(2) . . ?
B18 B13 H13 121.50(16) . . ?
B18 B13 B14 60.5(2) . . ?
B18 B13 B15 108.1(2) . . ?
B19 B13 B12 107.8(2) . . ?
B19 B13 H13 121.67(16) . . ?
B19 B13 B14 108.1(2) . . ?
B19 B13 B15 60.4(2) . . ?
B19 B13 B18 59.8(2) . . ?
C13 C14 O1 172.6(3) . . ?
B11 B14 B10 59.48(19) . . ?
B12 B14 B10 107.7(2) . . ?
B12 B14 B11 59.62(19) . . ?
B13 B14 B10 108.7(2) . . ?
B13 B14 B11 108.2(2) . . ?
B13 B14 B12 60.6(2) . . ?
H14 B14 B10 121.52(16) . . ?
H14 B14 B11 122.06(16) . . ?
H14 B14 B12 121.80(16) . . ?
H14 B14 B13 121.26(16) . . ?
B18 B14 B10 60.8(2) . . ?
B18 B14 B11 108.1(2) . . ?
B18 B14 B12 108.2(2) . . ?
B18 B14 B13 59.9(2) . . ?
B18 B14 H14 121.44(16) . . ?
B10 C15 B1 121.0(2) . . ?
B11 C15 B1 135.1(2) . . ?
B11 C15 B10 60.32(18) . . ?
C16 C15 B1 108.3(2) . . ?
C16 C15 B10 61.37(18) . . ?
C16 C15 B11 108.9(2) . . ?
B16 C15 B1 109.8(2) . . ?
B16 C15 B10 111.7(2) . . ?
B16 C15 B11 109.6(2) . . ?
B16 C15 C16 61.45(18) . . ?
B17 C15 B1 126.5(2) . . ?
B17 C15 B10 110.1(2) . . ?
B17 C15 B11 60.47(18) . . ?
B17 C15 C16 109.3(2) . . ?
B17 C15 B16 60.39(18) . . ?
B13 B15 B12 60.8(2) . . ?
H15 B15 B12 121.33(17) . . ?
H15 B15 B13 121.30(16) . . ?
B16 B15 B12 108.0(3) . . ?
B16 B15 B13 108.2(3) . . ?
B16 B15 H15 121.81(16) . . ?
B17 B15 B12 59.7(2) . . ?
B17 B15 B13 108.1(2) . . ?
B17 B15 H15 122.19(16) . . ?
B17 B15 B16 59.65(19) . . ?
B19 B15 B12 108.7(3) . . ?
B19 B15 B13 60.1(2) . . ?
B19 B15 H15 121.61(16) . . ?
B19 B15 B16 60.0(2) . . ?
B19 B15 B17 107.6(2) . . ?
C15 C16 B10 61.92(18) . . ?
B16 C16 B10 112.9(2) . . ?
B16 C16 C15 62.35(18) . . ?
C17 C16 B10 115.3(2) . . ?
C17 C16 C15 109.3(2) . . ?
C17 C16 B16 116.0(2) . . ?
B18 C16 B10 62.61(19) . . ?
B18 C16 C15 113.3(2) . . ?
B18 C16 B16 112.3(2) . . ?
B18 C16 C17 126.0(2) . . ?
B19 C16 B10 113.4(2) . . ?
B19 C16 C15 112.8(2) . . ?
B19 C16 B16 61.12(19) . . ?
B19 C16 C17 126.1(2) . . ?
B19 C16 B18 62.16(19) . . ?
B15 B16 C15 107.6(2) . . ?
C16 B16 C15 56.21(16) . . ?
C16 B16 B15 106.0(2) . . ?
H16 B16 C15 123.79(15) . . ?
H16 B16 B15 120.79(16) . . ?
H16 B16 C16 125.37(15) . . ?
B17 B16 C15 59.26(18) . . ?
B17 B16 B15 61.9(2) . . ?
B17 B16 C16 104.2(2) . . ?
B17 B16 H16 121.21(16) . . ?
B19 B16 C15 106.0(2) . . ?
B19 B16 B15 61.5(2) . . ?
B19 B16 C16 59.04(18) . . ?
B19 B16 H16 120.65(16) . . ?
B19 B16 B17 110.5(2) . . ?
C18 C17 C16 110.8(2) . . ?
B20 C17 C16 125.2(2) . . ?
B20 C17 C18 112.9(2) . . ?
B25 C17 C16 116.5(2) . . ?
B25 C17 C18 61.65(18) . . ?
B25 C17 B20 62.08(19) . . ?
B28 C17 C16 116.2(2) . . ?
B28 C17 C18 61.03(18) . . ?
B28 C17 B20 113.1(2) . . ?
B28 C17 B25 111.6(2) . . ?
B29 C17 C16 124.9(2) . . ?
B29 C17 C18 112.6(2) . . ?
B29 C17 B20 62.7(2) . . ?
B29 C17 B25 113.1(2) . . ?
B29 C17 B28 62.15(19) . . ?
B12 B17 B11 60.28(19) . . ?
C15 B17 B11 60.03(18) . . ?
C15 B17 B12 106.6(2) . . ?
B15 B17 B11 107.8(2) . . ?
B15 B17 B12 59.4(2) . . ?
B15 B17 C15 105.9(2) . . ?
B16 B17 B11 109.2(2) . . ?
B16 B17 B12 106.8(2) . . ?
B16 B17 C15 60.35(18) . . ?
B16 B17 B15 58.49(19) . . ?
H17 B17 B11 120.76(16) . . ?
H17 B17 B12 122.51(16) . . ?
H17 B17 C15 122.63(15) . . ?
H17 B17 B15 123.09(16) . . ?
H17 B17 B16 121.75(16) . . ?
C17 C18 B1 106.9(2) . . ?
B25 C18 B1 113.5(2) . . ?
B25 C18 C17 61.18(18) . . ?
B26 C18 B1 131.4(2) . . ?
B26 C18 C17 108.7(2) . . ?
B26 C18 B25 60.32(19) . . ?
B27 C18 B1 133.9(2) . . ?
B27 C18 C17 108.5(2) . . ?
B27 C18 B25 109.1(2) . . ?
B27 C18 B26 60.03(19) . . ?
B28 C18 B1 116.0(2) . . ?
B28 C18 C17 61.63(18) . . ?
B28 C18 B25 111.8(2) . . ?
B28 C18 B26 109.6(2) . . ?
B28 C18 B27 60.09(19) . . ?
B13 B18 B10 106.5(2) . . ?
B14 B18 B10 58.33(19) . . ?
B14 B18 B13 59.6(2) . . ?
C16 B18 B10 59.12(18) . . ?
C16 B18 B13 105.1(2) . . ?
C16 B18 B14 104.1(2) . . ?
H18 B18 B10 122.26(16) . . ?
H18 B18 B13 122.66(16) . . ?
H18 B18 B14 123.27(16) . . ?
H18 B18 C16 124.29(15) . . ?
B19 B18 B10 108.3(2) . . ?
B19 B18 B13 60.3(2) . . ?
B19 B18 B14 107.8(2) . . ?
B19 B18 C16 59.27(18) . . ?
B19 B18 H18 120.91(16) . . ?
B2 C19 B1 122.5(2) . . ?
C3 C19 B1 121.0(2) . . ?
C3 C19 B2 59.79(18) . . ?
B30 C19 B1 118.7(2) . . ?
B30 C19 B2 60.86(19) . . ?
B30 C19 C3 111.0(2) . . ?
B31 C19 B1 119.8(2) . . ?
B31 C19 B2 108.8(2) . . ?
B31 C19 C3 110.6(2) . . ?
B31 C19 B30 61.4(2) . . ?
B32 C19 B1 120.1(2) . . ?
B32 C19 B2 108.9(2) . . ?
B32 C19 C3 61.3(2) . . ?
B32 C19 B30 111.7(2) . . ?
B32 C19 B31 61.3(2) . . ?
B15 B19 B13 59.5(2) . . ?
C16 B19 B13 104.2(2) . . ?
C16 B19 B15 104.3(2) . . ?
B16 B19 B13 106.5(2) . . ?
B16 B19 B15 58.46(19) . . ?
B16 B19 C16 59.83(18) . . ?
B18 B19 B13 59.9(2) . . ?
B18 B19 B15 107.5(2) . . ?
B18 B19 C16 58.57(18) . . ?
B18 B19 B16 108.4(2) . . ?
H19 B19 B13 123.12(16) . . ?
H19 B19 B15 123.23(16) . . ?
H19 B19 C16 124.45(15) . . ?
H19 B19 B16 121.81(16) . . ?
H19 B19 B18 121.32(16) . . ?
H20 C20 P1 105.55(10) . . ?
C21 C20 P1 112.7(2) . . ?
C21 C20 H20 105.55(18) . . ?
C25 C20 P1 114.9(2) . . ?
C25 C20 H20 105.55(16) . . ?
C25 C20 C21 111.7(3) . . ?
H20a B20 C17 124.16(16) . . ?
B21 B20 C17 104.7(2) . . ?
B21 B20 H20a 122.85(16) . . ?
B24 B20 C17 104.8(2) . . ?
B24 B20 H20a 122.87(16) . . ?
B24 B20 B21 59.9(2) . . ?
B25 B20 C17 59.72(18) . . ?
B25 B20 H20a 122.07(16) . . ?
B25 B20 B21 106.6(3) . . ?
B25 B20 B24 58.47(19) . . ?
B29 B20 C17 58.64(18) . . ?
B29 B20 H20a 121.47(17) . . ?
B29 B20 B21 59.9(2) . . ?
B29 B20 B24 107.7(3) . . ?
B29 B20 B25 108.0(2) . . ?
H21a C21 C20 109.84(17) . . ?
H21b C21 C20 109.84(18) . . ?
H21b C21 H21a 108.3 . . ?
C22 C21 C20 109.2(3) . . ?
C22 C21 H21a 109.84(19) . . ?
C22 C21 H21b 109.8(2) . . ?
H21 B21 B20 121.32(16) . . ?
B22 B21 B20 108.5(2) . . ?
B22 B21 H21 121.56(16) . . ?
B23 B21 B20 108.4(2) . . ?
B23 B21 H21 121.62(16) . . ?
B23 B21 B22 60.1(2) . . ?
B24 B21 B20 60.4(2) . . ?
B24 B21 H21 121.74(16) . . ?
B24 B21 B22 59.8(2) . . ?
B24 B21 B23 107.9(3) . . ?
B29 B21 B20 60.1(2) . . ?
B29 B21 H21 121.39(16) . . ?
B29 B21 B22 108.5(3) . . ?
B29 B21 B23 60.3(2) . . ?
B29 B21 B24 108.3(2) . . ?
H22a C22 C21 109.4(2) . . ?
H22b C22 C21 109.36(18) . . ?
H22b C22 H22a 108.0 . . ?
C23 C22 C21 111.3(3) . . ?
C23 C22 H22a 109.4(2) . . ?
C23 C22 H22b 109.36(18) . . ?
H22 B22 B21 121.63(16) . . ?
B23 B22 B21 59.9(2) . . ?
B23 B22 H22 121.85(16) . . ?
B24 B22 B21 60.1(2) . . ?
B24 B22 H22 121.50(16) . . ?
B24 B22 B23 108.0(3) . . ?
B26 B22 B21 108.0(2) . . ?
B26 B22 H22 122.12(16) . . ?
B26 B22 B23 107.3(2) . . ?
B26 B22 B24 60.5(2) . . ?
B27 B22 B21 107.8(2) . . ?
B27 B22 H22 122.19(16) . . ?
B27 B22 B23 60.2(2) . . ?
B27 B22 B24 107.6(2) . . ?
B27 B22 B26 58.86(19) . . ?
H23a C23 C22 109.44(18) . . ?
H23b C23 C22 109.4(2) . . ?
H23b C23 H23a 108.0 . . ?
C24 C23 C22 111.0(3) . . ?
C24 C23 H23a 109.44(17) . . ?
C24 C23 H23b 109.44(18) . . ?
B22 B23 B21 60.1(2) . . ?
H23 B23 B21 121.74(16) . . ?
H23 B23 B22 121.78(16) . . ?
B27 B23 B21 107.7(2) . . ?
B27 B23 B22 59.9(2) . . ?
B27 B23 H23 122.08(16) . . ?
B28 B23 B21 108.3(3) . . ?
B28 B23 B22 107.8(2) . . ?
B28 B23 H23 121.62(16) . . ?
B28 B23 B27 59.5(2) . . ?
B29 B23 B21 59.9(2) . . ?
B29 B23 B22 108.1(3) . . ?
B29 B23 H23 121.40(16) . . ?
B29 B23 B27 108.0(2) . . ?
B29 B23 B28 60.7(2) . . ?
H24a C24 C23 109.47(18) . . ?
H24b C24 C23 109.47(18) . . ?
H24b C24 H24a 108.1 . . ?
C25 C24 C23 110.8(3) . . ?
C25 C24 H24a 109.47(17) . . ?
C25 C24 H24b 109.47(17) . . ?
B21 B24 B20 59.7(2) . . ?
B22 B24 B20 108.2(2) . . ?
B22 B24 B21 60.1(2) . . ?
H24 B24 B20 121.63(16) . . ?
H24 B24 B21 121.84(16) . . ?
H24 B24 B22 121.44(16) . . ?
B25 B24 B20 60.50(19) . . ?
B25 B24 B21 108.1(2) . . ?
B25 B24 B22 108.2(2) . . ?
B25 B24 H24 121.62(16) . . ?
B26 B24 B20 107.8(2) . . ?
B26 B24 B21 107.8(2) . . ?
B26 B24 B22 60.3(2) . . ?
B26 B24 H24 121.96(16) . . ?
B26 B24 B25 59.48(19) . . ?
C24 C25 C20 109.5(3) . . ?
H25a C25 C20 109.78(17) . . ?
H25a C25 C24 109.78(17) . . ?
H25b C25 C20 109.78(16) . . ?
H25b C25 C24 109.78(17) . . ?
H25b C25 H25a 108.2 . . ?
C18 B25 C17 57.17(17) . . ?
B20 B25 C17 58.20(18) . . ?
B20 B25 C18 106.0(2) . . ?
B24 B25 C17 105.6(2) . . ?
B24 B25 C18 108.0(2) . . ?
B24 B25 B20 61.0(2) . . ?
H25 B25 C17 125.14(15) . . ?
H25 B25 C18 123.09(15) . . ?
H25 B25 B20 121.42(16) . . ?
H25 B25 B24 121.08(16) . . ?
B26 B25 C17 105.2(2) . . ?
B26 B25 C18 59.86(18) . . ?
B26 B25 B20 110.0(3) . . ?
B26 B25 B24 61.7(2) . . ?
B26 B25 H25 120.86(16) . . ?
C31 C26 C27 118.6(4) . . ?
C32 C26 C27 120.5(4) . . ?
C32 C26 C31 120.9(4) . . ?
B22 B26 C18 106.6(2) . . ?
B24 B26 C18 105.7(2) . . ?
B24 B26 B22 59.3(2) . . ?
B25 B26 C18 59.82(18) . . ?
B25 B26 B22 106.8(2) . . ?
B25 B26 B24 58.78(19) . . ?
H26 B26 C18 122.74(15) . . ?
H26 B26 B22 122.55(16) . . ?
H26 B26 B24 123.10(16) . . ?
H26 B26 B25 121.87(16) . . ?
B27 B26 C18 60.27(18) . . ?
B27 B26 B22 60.1(2) . . ?
B27 B26 B24 107.7(2) . . ?
B27 B26 B25 108.9(2) . . ?
B27 B26 H26 120.84(17) . . ?
H27a C27 C26 119.6(3) . . ?
C28 C27 C26 120.8(4) . . ?
C28 C27 H27a 119.6(3) . . ?
B22 B27 C18 106.9(2) . . ?
B23 B27 C18 105.7(2) . . ?
B23 B27 B22 60.0(2) . . ?
B26 B27 C18 59.69(18) . . ?
B26 B27 B22 61.0(2) . . ?
B26 B27 B23 108.9(3) . . ?
H27 B27 C18 123.31(15) . . ?
H27 B27 B22 121.69(16) . . ?
H27 B27 B23 122.38(16) . . ?
H27 B27 B26 120.57(17) . . ?
B28 B27 C18 59.26(18) . . ?
B28 B27 B22 107.6(3) . . ?
B28 B27 B23 59.2(2) . . ?
B28 B27 B26 108.6(2) . . ?
B28 B27 H27 121.95(16) . . ?
H28a C28 C27 120.1(3) . . ?
C29 C28 C27 119.8(5) . . ?
C29 C28 H28a 120.1(3) . . ?
C18 B28 C17 57.34(17) . . ?
B23 B28 C17 105.4(2) . . ?
B23 B28 C18 108.5(2) . . ?
B27 B28 C17 105.6(2) . . ?
B27 B28 C18 60.65(19) . . ?
B27 B28 B23 61.4(2) . . ?
H28 B28 C17 125.09(15) . . ?
H28 B28 C18 122.50(15) . . ?
H28 B28 B23 121.23(16) . . ?
H28 B28 B27 120.78(16) . . ?
B29 B28 C17 58.04(18) . . ?
B29 B28 C18 106.1(2) . . ?
B29 B28 B23 60.7(2) . . ?
B29 B28 B27 109.6(3) . . ?
B29 B28 H28 121.78(16) . . ?
H29a C29 C28 120.0(3) . . ?
C30 C29 C28 120.1(5) . . ?
C30 C29 H29a 120.0(3) . . ?
B20 B29 C17 58.68(18) . . ?
B21 B29 C17 104.8(2) . . ?
B21 B29 B20 60.0(2) . . ?
B23 B29 C17 105.1(2) . . ?
B23 B29 B20 107.9(3) . . ?
B23 B29 B21 59.8(2) . . ?
B28 B29 C17 59.81(19) . . ?
B28 B29 B20 108.0(2) . . ?
B28 B29 B21 106.5(3) . . ?
B28 B29 B23 58.5(2) . . ?
H29 B29 C17 124.00(16) . . ?
H29 B29 B20 121.36(17) . . ?
H29 B29 B21 122.89(16) . . ?
H29 B29 B23 122.72(16) . . ?
H29 B29 B28 122.10(16) . . ?
H30a C30 C29 120.0(3) . . ?
C31 C30 C29 120.0(5) . . ?
C31 C30 H30a 120.0(3) . . ?
B7 B30 B2 104.7(2) . . ?
B9 B30 B2 58.80(19) . . ?
B9 B30 B7 59.4(2) . . ?
C19 B30 B2 58.04(18) . . ?
C19 B30 B7 106.6(2) . . ?
C19 B30 B9 106.3(2) . . ?
H30 B30 B2 124.42(16) . . ?
H30 B30 B7 122.78(16) . . ?
H30 B30 B9 122.13(17) . . ?
H30 B30 C19 122.86(15) . . ?
B31 B30 B2 105.2(2) . . ?
B31 B30 B7 60.3(2) . . ?
B31 B30 B9 107.8(3) . . ?
B31 B30 C19 59.56(19) . . ?
B31 B30 H30 121.98(17) . . ?
C30 C31 C26 120.7(5) . . ?
H31a C31 C26 119.7(3) . . ?
H31a C31 C30 119.7(3) . . ?
B8 B31 B7 60.3(2) . . ?
C19 B31 B7 106.0(2) . . ?
C19 B31 B8 106.2(2) . . ?
B30 B31 B7 60.1(2) . . ?
B30 B31 B8 108.4(2) . . ?
B30 B31 C19 59.05(19) . . ?
H31 B31 B7 121.87(16) . . ?
H31 B31 B8 121.77(16) . . ?
H31 B31 C19 123.69(15) . . ?
H31 B31 B30 121.50(17) . . ?
B32 B31 B7 108.4(3) . . ?
B32 B31 B8 60.2(2) . . ?
B32 B31 C19 59.15(19) . . ?
B32 B31 B30 108.1(2) . . ?
B32 B31 H31 121.43(17) . . ?
H32a C32 C26 109.5 . . ?
H32b C32 C26 109.5 . . ?
H32b C32 H32a 109.5 . . ?
H32c C32 C26 109.5 . . ?
H32c C32 H32a 109.5 . . ?
H32c C32 H32b 109.5 . . ?
B4 B32 C3 59.1(2) . . ?
B8 B32 C3 106.8(3) . . ?
B8 B32 B4 60.3(2) . . ?
C19 B32 C3 58.96(18) . . ?
C19 B32 B4 106.2(2) . . ?
C19 B32 B8 106.3(2) . . ?
B31 B32 C3 107.3(2) . . ?
B31 B32 B4 108.4(3) . . ?
B31 B32 B8 60.0(2) . . ?
B31 B32 C19 59.52(19) . . ?
H32 B32 C3 122.69(17) . . ?
H32 B32 B4 121.98(17) . . ?
H32 B32 B8 122.24(16) . . ?
H32 B32 C19 123.19(15) . . ?
H32 B32 B31 121.47(17) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P1 C1 C2 C33 174.5(2) . . . . ?
P1 C1 C6 C5 -173.2(2) . . . . ?
P1 C7 C8 C9 177.6(2) . . . . ?
P1 C7 C12 C11 -177.3(2) . . . . ?
P1 C20 C21 C22 -171.4(2) . . . . ?
P1 C20 C25 C24 172.0(2) . . . . ?
O1 B1 C15 B10 -174.80(19) . . . . ?
O1 B1 C15 B11 107.6(2) . . . . ?
O1 B1 C15 C16 -107.8(2) . . . . ?
O1 B1 C15 B16 -42.3(2) . . . . ?
O1 B1 C15 B17 24.9(3) . . . . ?
O1 B1 C18 C17 102.4(2) . . . . ?
O1 B1 C18 B25 37.1(3) . . . . ?
O1 B1 C18 B26 -33.3(3) . . . . ?
O1 B1 C18 B27 -118.9(2) . . . . ?
O1 B1 C18 B28 168.6(2) . . . . ?
O1 B1 C19 B2 148.1(2) . . . . ?
O1 B1 C19 C3 -140.1(2) . . . . ?
O1 B1 C19 B30 76.1(3) . . . . ?
O1 B1 C19 B31 4.5(3) . . . . ?
O1 B1 C19 B32 -67.6(3) . . . . ?
C1 C2 C33 C4 56.3(3) . . . . ?
C1 C6 C5 C4 -56.6(3) . . . . ?
B1 C15 C16 B10 -115.9(3) . . . . ?
B1 C15 C16 B16 103.1(3) . . . . ?
B1 C15 C16 C17 -6.9(2) . . . . ?
B1 C15 C16 B18 -153.0(2) . . . . ?
B1 C15 C16 B19 138.7(2) . . . . ?
B1 C18 C17 C16 1.7(2) . . . . ?
B1 C18 C17 B20 -144.4(2) . . . . ?
B1 C18 C17 B25 -108.0(3) . . . . ?
B1 C18 C17 B28 110.9(3) . . . . ?
B1 C18 C17 B29 147.0(2) . . . . ?
B1 C19 B2 C3 109.6(4) . . . . ?
B1 C19 B2 B5 146.7(3) . . . . ?
B1 C19 B2 B9 -145.2(3) . . . . ?
B1 C19 B2 B30 -107.3(4) . . . . ?
C2 C33 C4 C5 -56.5(3) . . . . ?
C33 C4 C5 C6 56.2(3) . . . . ?
C7 C8 C9 C10 55.4(3) . . . . ?
C7 C12 C11 C10 -56.5(3) . . . . ?
C8 C9 C10 C11 -54.3(3) . . . . ?
C9 C10 C11 C12 54.8(3) . . . . ?
B10 C15 C16 B16 -141.0(2) . . . . ?
B10 C15 C16 C17 109.1(2) . . . . ?
B10 C15 C16 B18 -37.1(2) . . . . ?
B10 C15 C16 B19 -105.3(2) . . . . ?
B10 C16 C15 B11 38.5(2) . . . . ?
B10 C16 C15 B16 141.0(2) . . . . ?
B10 C16 C15 B17 102.9(2) . . . . ?
B10 C16 C17 C18 70.5(3) . . . . ?
B10 C16 C17 B20 -148.5(2) . . . . ?
B10 C16 C17 B25 138.3(2) . . . . ?
B10 C16 C17 B28 3.5(3) . . . . ?
B10 C16 C17 B29 -69.6(3) . . . . ?
B11 C15 C16 B16 -102.5(3) . . . . ?
B11 C15 C16 C17 147.5(2) . . . . ?
B11 C15 C16 B18 1.4(2) . . . . ?
B11 C15 C16 B19 -66.8(2) . . . . ?
C15 C16 C17 C18 3.2(2) . . . . ?
C15 C16 C17 B20 144.2(2) . . . . ?
C15 C16 C17 B25 71.0(2) . . . . ?
C15 C16 C17 B28 -63.8(2) . . . . ?
C15 C16 C17 B29 -136.9(2) . . . . ?
C16 C17 C18 B25 109.7(3) . . . . ?
C16 C17 C18 B26 148.1(2) . . . . ?
C16 C17 C18 B27 -148.2(2) . . . . ?
C16 C17 C18 B28 -109.2(3) . . . . ?
C20 C21 C22 C23 -56.5(3) . . . . ?
C20 C25 C24 C23 57.0(3) . . . . ?
C21 C22 C23 C24 57.0(3) . . . . ?
C22 C23 C24 C25 -57.0(3) . . . . ?
C26 C27 C28 C29 1.0(5) . . . . ?
C26 C31 C30 C29 0.6(5) . . . . ?
C27 C28 C29 C30 -0.4(5) . . . . ?
C28 C29 C30 C31 -0.4(5) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3a
_database_code_depnum_ccdc_archive 'CCDC 2355582'
loop_
_audit_author_name
_audit_author_address
'Qing Ye'
;University of Wuerzburg
Germany
;
_audit_update_record             
;
2024-05-15 deposited with the CCDC.	2024-10-03 downloaded from the CCDC.
;
_audit_creation_date             2024-02-20
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2019/1
_chemical_formula_moiety         'C26 H46 B31 O P'
_chemical_formula_sum            'C26 H46 B31 O P'
_chemical_formula_weight         740.71
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   12.196(3)
_cell_length_b                   12.565(3)
_cell_length_c                   15.872(4)
_cell_angle_alpha                91.154(8)
_cell_angle_beta                 106.328(9)
_cell_angle_gamma                117.784(7)
_cell_volume                     2032.1(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9324
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      2.49
_cell_special_details            
;
 Uncertainties of the unit cell parameters were calculated as standard 
 deviations of 32 cells obtained from a subset of all reflections. These sets 
 of reflections were selected using the Monte Carlo method.
;
_shelx_estimated_absorpt_T_max   0.989
_shelx_estimated_absorpt_T_min   0.968
_exptl_absorpt_coefficient_mu    0.096
_exptl_absorpt_correction_T_max  0.7412
_exptl_absorpt_correction_T_min  0.7112
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2016/2 (Bruker AXS)'
_exptl_absorpt_special_details   
;
 Incident beam scaling, empirical absorption correction using spherical 
 harmonics, and outlier rejection was employed as implemented in SADABS. 
 Additional spherical absorption correction with mu*r value set to 0.2 was 
 applied.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.211
_exptl_crystal_description       block
_exptl_crystal_F_000             760
_exptl_crystal_preparation       
;
 For data collection the crystal was immersed in a film of perfluoropolyether 
 oil, mounted on a polyimide loop and transferred to stream of cold nitrogen 
 (Oxford Cryostream 800).
;
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.236
_exptl_crystal_size_min          0.116
_diffrn_reflns_av_R_equivalents  0.0623
_diffrn_reflns_av_unetI/netI     0.0340
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            68538
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.731
_diffrn_reflns_theta_min         1.862
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 CPA
_diffrn_detector_area_resol_mean 7.5
_diffrn_detector_type            'Photon II'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8-Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_orient_matrix_type       
;
 Sparks R.A., Computational Crystallography p1-18 (Clarendon Press, 1982)
;
_diffrn_orient_matrix_UB_11      0,0183336
_diffrn_orient_matrix_UB_12      0,0768884
_diffrn_orient_matrix_UB_13      -0,0246888
_diffrn_orient_matrix_UB_21      -0,0587488
_diffrn_orient_matrix_UB_22      0,0114845
_diffrn_orient_matrix_UB_23      0,0277748
_diffrn_orient_matrix_UB_31      0,0764193
_diffrn_orient_matrix_UB_32      0,0481028
_diffrn_orient_matrix_UB_33      0,0554132
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_xray_symbol    K-L~2,3~
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'Incoatec ImS 2.0'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7654
_reflns_number_total             8626
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal class for the 
 calculation of statistics and refinement. _reflns_Friedel_fraction is 
 defined as the number of unique Friedel pairs measured divided by the number 
 that would be possible theoretically, ignoring centric projections and 
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Saint+ ver. 8.40B (Bruker AXS)'
_computing_data_collection       'BIS 6.2.14 / APEX4 ver. 2021.10 (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 8.40B (Bruker AXS)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_structure_solution    "SHELXT 2018/2 (Sheldrick, 2018)'"
_refine_diff_density_max         0.816
_refine_diff_density_min         -0.257
_refine_diff_density_rms         0.059
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     535
_refine_ls_number_reflns         8626
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0562
_refine_ls_R_factor_gt           0.0498
_refine_ls_restrained_S_all      1.075
_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)+(0.0592P)²+1.3660P] where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1258
_refine_ls_wR_factor_ref         0.1300
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Aromatic/amide H refined with riding coordinates:
 C00B(H00B), C00D(H00D), C00E(H00E), C00F(H00F), C00G(H00G), C00H(H00H),
 C00I(H00I), C00J(H00J), C00K(H00K), C00L(H00L), C00M(H00M), C00N(H00N),
 C00P(H00P), C00Q(H00Q), C00R(H00R)
1.b Boron cage BH refined with riding coordinates:
 B00U(H00U), B00V(H00V), B00W(H00W), B00X(H00X), B00Y(H00Y), B00Z(H00Z),
 B010(H010), B011(H011), B012(H012), B013(H013), B014(H014), B015(H015),
 B016(H016), B017(H017), B018(H018), B019(H019), B01A(H01A), B01B(H01B),
 B01C(H01C), B01D(H01D), B01E(H01E), B01F(H01F), B01G(H01G), B01H(H01H),
 B01I(H01I), B01J(H01J), B01K(H01K), B01L(H01L), B01M(H01M), B01N(H01N)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
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
P001 P 0.53609(4) 0.12231(4) 0.75046(3) 0.01514(11) Uani 1 1 d . . . . .
B1 B 0.88100(17) 0.56255(16) 0.71245(12) 0.0158(3) Uani 1 1 d . . . . .
O002 O 0.78258(11) 0.42966(10) 0.66664(7) 0.0169(2) Uani 1 1 d . . . . .
C2 C 1.11296(17) 0.64681(16) 0.86955(11) 0.0212(3) Uani 1 1 d . . . . .
H2 H 1.091(2) 0.7088(19) 0.8932(13) 0.025 Uiso 1 1 d . U . . .
C003 C 0.71032(15) 0.34061(14) 0.69683(10) 0.0169(3) Uani 1 1 d . . . . .
C004 C 0.44740(15) 0.00077(14) 0.65560(10) 0.0174(3) Uani 1 1 d . . . . .
C005 C 0.63270(16) 0.08763(14) 0.84175(10) 0.0172(3) Uani 1 1 d . . . . .
C006 C 0.42433(15) 0.14769(14) 0.78995(10) 0.0168(3) Uani 1 1 d . . . . .
C007 C 0.81258(15) 0.61464(14) 0.76963(10) 0.0169(3) Uani 1 1 d . . . . .
C008 C 0.76665(16) 0.70251(15) 0.70945(11) 0.0195(3) Uani 1 1 d . . . . .
C009 C 0.63752(16) 0.24961(15) 0.71824(11) 0.0199(3) Uani 1 1 d . . . . .
C00A C 1.01660(15) 0.56124(14) 0.76904(10) 0.0166(3) Uani 1 1 d . . . . .
C00B C 0.43270(17) -0.11532(15) 0.66321(12) 0.0227(3) Uani 1 1 d . . . . .
H00B H 0.470911 -0.131065 0.719048 0.027 Uiso 1 1 calc R U . . .
C00C C 0.80487(16) 0.71173(15) 0.62472(11) 0.0194(3) Uani 1 1 d . . . . .
C00D C 0.76674(17) 0.13504(16) 0.85732(12) 0.0233(4) Uani 1 1 d . . . . .
H00D H 0.807420 0.184530 0.818900 0.028 Uiso 1 1 calc R U . . .
C00E C 0.57291(17) 0.01423(16) 0.89788(11) 0.0221(3) Uani 1 1 d . . . . .
H00E H 0.481576 -0.018366 0.887106 0.026 Uiso 1 1 calc R U . . .
C00F C 0.28951(17) 0.08438(16) 0.74561(11) 0.0222(3) Uani 1 1 d . . . . .
H00F H 0.253643 0.023847 0.694072 0.027 Uiso 1 1 calc R U . . .
C00G C 0.36175(18) -0.20770(16) 0.58851(13) 0.0268(4) Uani 1 1 d . . . . .
H00G H 0.351694 -0.286765 0.593327 0.032 Uiso 1 1 calc R U . . .
C00H C 0.39200(18) 0.02424(17) 0.57312(12) 0.0261(4) Uani 1 1 d . . . . .
H00H H 0.402867 0.103456 0.567725 0.031 Uiso 1 1 calc R U . . .
C00I C 0.39346(18) 0.26039(16) 0.89737(12) 0.0263(4) Uani 1 1 d . . . . .
H00I H 0.428581 0.320284 0.949179 0.032 Uiso 1 1 calc R U . . .
C00J C 0.30575(18) -0.18503(17) 0.50724(12) 0.0274(4) Uani 1 1 d . . . . .
H00J H 0.256591 -0.248811 0.456618 0.033 Uiso 1 1 calc R U . . .
C00K C 0.47633(17) 0.23547(15) 0.86698(11) 0.0223(3) Uani 1 1 d . . . . .
H00K H 0.568055 0.277611 0.898119 0.027 Uiso 1 1 calc R U . . .
C00L C 0.25949(18) 0.19835(16) 0.85257(12) 0.0260(4) Uani 1 1 d . . . . .
H00L H 0.203060 0.216137 0.873470 0.031 Uiso 1 1 calc R U . . .
C00M C 0.64804(19) -0.01085(17) 0.96976(12) 0.0258(4) Uani 1 1 d . . . . .
H00M H 0.608037 -0.060843 1.008221 0.031 Uiso 1 1 calc R U . . .
C00N C 0.20780(18) 0.11042(17) 0.77731(13) 0.0270(4) Uani 1 1 d . . . . .
H00N H 0.115808 0.067584 0.747127 0.032 Uiso 1 1 calc R U . . .
C00O C 0.88447(15) 0.63529(14) 0.62455(10) 0.0170(3) Uani 1 1 d . . . . .
C00P C 0.3211(2) -0.06916(18) 0.49931(12) 0.0310(4) Uani 1 1 d . . . . .
H00P H 0.282947 -0.053956 0.443212 0.037 Uiso 1 1 calc R U . . .
C00Q C 0.84006(18) 0.10921(17) 0.92949(13) 0.0279(4) Uani 1 1 d . . . . .
H00Q H 0.931408 0.141397 0.940616 0.033 Uiso 1 1 calc R U . . .
C00R C 0.78093(19) 0.03703(16) 0.98514(12) 0.0274(4) Uani 1 1 d . . . . .
H00R H 0.831996 0.020076 1.034472 0.033 Uiso 1 1 calc R U . . .
B00U B 0.97187(19) 0.79403(17) 0.64246(13) 0.0207(4) Uani 1 1 d . . . . .
H00U H 1.048369 0.850989 0.707498 0.025 Uiso 1 1 calc R U . . .
B00V B 0.69961(18) 0.53857(19) 0.82466(13) 0.0215(4) Uani 1 1 d . . . . .
H00V H 0.676146 0.445713 0.841111 0.026 Uiso 1 1 calc R U . . .
B00W B 0.85078(19) 0.66663(18) 0.88320(12) 0.0205(4) Uani 1 1 d . . . . .
H00W H 0.925327 0.657432 0.938029 0.025 Uiso 1 1 calc R U . . .
B00X B 1.01755(19) 0.42312(17) 0.76698(13) 0.0194(4) Uani 1 1 d . . . . .
H00X H 0.932218 0.334536 0.726090 0.023 Uiso 1 1 calc R U . . .
B00Y B 1.01290(18) 0.49285(17) 0.86273(12) 0.0190(4) Uani 1 1 d . . . . .
H00Y H 0.924974 0.452450 0.885418 0.023 Uiso 1 1 calc R U . . .
B00Z B 1.11242(18) 0.53882(17) 0.71652(13) 0.0195(4) Uani 1 1 d . . . . .
H00Z H 1.089279 0.527000 0.642355 0.023 Uiso 1 1 calc R U . . .
B010 B 0.72673(18) 0.57663(17) 0.54670(12) 0.0207(4) Uani 1 1 d . . . . .
H010 H 0.639777 0.489312 0.547723 0.025 Uiso 1 1 calc R U . . .
B011 B 0.64503(18) 0.55948(17) 0.71456(13) 0.0199(4) Uani 1 1 d . . . . .
H011 H 0.583930 0.480017 0.657890 0.024 Uiso 1 1 calc R U . . .
B012 B 0.85339(19) 0.57551(18) 0.51525(13) 0.0220(4) Uani 1 1 d . . . . .
H012 H 0.851751 0.488182 0.496670 0.026 Uiso 1 1 calc R U . . .
B013 B 0.89640(19) 0.77050(17) 0.81083(12) 0.0205(4) Uani 1 1 d . . . . .
H013 H 1.002177 0.830867 0.817996 0.025 Uiso 1 1 calc R U . . .
B014 B 1.17678(19) 0.57260(18) 0.93924(13) 0.0225(4) Uani 1 1 d . . . . .
H014 H 1.197187 0.584532 1.013147 0.027 Uiso 1 1 calc R U . . .
B015 B 1.11832(18) 0.42920(17) 0.87383(13) 0.0198(4) Uani 1 1 d . . . . .
H015 H 1.100392 0.345510 0.904377 0.024 Uiso 1 1 calc R U . . .
B016 B 1.28079(19) 0.55110(19) 0.88969(13) 0.0234(4) Uani 1 1 d . . . . .
H016 H 1.370233 0.547963 0.930452 0.028 Uiso 1 1 calc R U . . .
B017 B 1.17179(18) 0.68237(18) 0.78194(13) 0.0207(4) Uani 1 1 d . . . . .
H017 H 1.188427 0.766340 0.752028 0.025 Uiso 1 1 calc R U . . .
B018 B 0.8619(2) 0.84014(18) 0.57768(14) 0.0264(4) Uani 1 1 d . . . . .
H018 H 0.864225 0.926593 0.599835 0.032 Uiso 1 1 calc R U . . .
B019 B 1.18070(19) 0.45784(18) 0.78251(13) 0.0217(4) Uani 1 1 d . . . . .
H019 H 1.204458 0.392991 0.752640 0.026 Uiso 1 1 calc R U . . .
B01A B 1.27614(19) 0.61910(19) 0.79129(14) 0.0242(4) Uani 1 1 d . . . . .
H01A H 1.362440 0.660776 0.766946 0.029 Uiso 1 1 calc R U . . .
B01B B 1.00232(19) 0.70912(17) 0.57229(13) 0.0218(4) Uani 1 1 d . . . . .
H01B H 1.097862 0.708969 0.590315 0.026 Uiso 1 1 calc R U . . .
B01C B 0.7784(2) 0.82053(19) 0.77451(14) 0.0261(4) Uani 1 1 d . . . . .
H01C H 0.805703 0.913373 0.756796 0.031 Uiso 1 1 calc R U . . .
B01D B 0.7106(2) 0.70550(19) 0.51887(13) 0.0262(4) Uani 1 1 d . . . . .
H01D H 0.614386 0.703990 0.502816 0.031 Uiso 1 1 calc R U . . .
B01E B 0.62336(19) 0.68951(19) 0.71557(14) 0.0247(4) Uani 1 1 d . . . . .
H01E H 0.548970 0.696815 0.659303 0.030 Uiso 1 1 calc R U . . .
B01F B 0.7445(2) 0.62152(19) 0.44628(13) 0.0257(4) Uani 1 1 d . . . . .
H01F H 0.670480 0.564820 0.380436 0.031 Uiso 1 1 calc R U . . .
B01G B 0.9871(2) 0.83863(18) 0.54114(13) 0.0255(4) Uani 1 1 d . . . . .
H01G H 1.072845 0.925484 0.538046 0.031 Uiso 1 1 calc R U . . .
B01H B 0.9150(2) 0.70433(19) 0.46087(13) 0.0262(4) Uani 1 1 d . . . . .
H01H H 0.953072 0.702322 0.404704 0.031 Uiso 1 1 calc R U . . .
B01I B 0.8285(2) 0.79724(19) 0.88683(13) 0.0251(4) Uani 1 1 d . . . . .
H01I H 0.888168 0.875567 0.944357 0.030 Uiso 1 1 calc R U . . .
B01J B 0.5787(2) 0.5860(2) 0.79151(13) 0.0256(4) Uani 1 1 d . . . . .
H01J H 0.473911 0.524879 0.786375 0.031 Uiso 1 1 calc R U . . .
B01K B 0.7050(2) 0.6528(2) 0.89630(14) 0.0257(4) Uani 1 1 d . . . . .
H01K H 0.682910 0.635785 0.960159 0.031 Uiso 1 1 calc R U . . .
B01L B 1.27417(19) 0.68945(18) 0.88896(14) 0.0243(4) Uani 1 1 d . . . . .
H01L H 1.358841 0.778313 0.929952 0.029 Uiso 1 1 calc R U . . .
B01M B 0.6599(2) 0.7478(2) 0.82897(14) 0.0288(5) Uani 1 1 d . . . . .
H01M H 0.608626 0.793680 0.848225 0.035 Uiso 1 1 calc R U . . .
B01N B 0.8268(2) 0.7843(2) 0.46382(14) 0.0293(5) Uani 1 1 d . . . . .
H01N H 0.806470 0.834869 0.409640 0.035 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
P001 C004 1.7946(17) . ?
P001 C005 1.7949(16) . ?
P001 C006 1.7972(17) . ?
P001 C009 1.7012(17) . ?
B1 O002 1.533(2) . ?
B1 C007 1.691(2) . ?
B1 C00A 1.653(2) . ?
B1 C00O 1.683(2) . ?
O002 C003 1.2640(19) . ?
C2 C00A 1.667(2) . ?
C2 B00Y 1.720(3) . ?
C2 B014 1.713(3) . ?
C2 B017 1.713(3) . ?
C2 B01L 1.708(3) . ?
C003 C009 1.204(2) . ?
C004 C00B 1.396(2) . ?
C004 C00H 1.400(2) . ?
C005 C00D 1.396(2) . ?
C005 C00E 1.396(2) . ?
C006 C00F 1.393(2) . ?
C006 C00K 1.404(2) . ?
C007 C008 1.662(2) . ?
C007 B00V 1.748(3) . ?
C007 B00W 1.758(2) . ?
C007 B011 1.752(2) . ?
C007 B013 1.736(2) . ?
C008 C00C 1.532(2) . ?
C008 B011 1.739(3) . ?
C008 B013 1.754(2) . ?
C008 B01C 1.716(3) . ?
C008 B01E 1.709(3) . ?
C00A B00X 1.741(2) . ?
C00A B00Y 1.733(2) . ?
C00A B00Z 1.728(2) . ?
C00A B017 1.739(2) . ?
C00B C00G 1.390(2) . ?
C00C C00O 1.654(2) . ?
C00C B00U 1.732(3) . ?
C00C B010 1.751(2) . ?
C00C B018 1.714(3) . ?
C00C B01D 1.725(2) . ?
C00D C00Q 1.388(2) . ?
C00E C00M 1.392(2) . ?
C00F C00N 1.390(2) . ?
C00G C00J 1.383(3) . ?
C00H C00P 1.388(3) . ?
C00I C00K 1.384(2) . ?
C00I C00L 1.386(3) . ?
C00J C00P 1.392(3) . ?
C00L C00N 1.385(3) . ?
C00M C00R 1.382(3) . ?
C00O B00U 1.738(2) . ?
C00O B010 1.754(2) . ?
C00O B012 1.741(2) . ?
C00O B01B 1.753(2) . ?
C00Q C00R 1.380(3) . ?
B00U B018 1.779(3) . ?
B00U B01B 1.752(3) . ?
B00U B01G 1.744(3) . ?
B00V B00W 1.750(3) . ?
B00V B011 1.759(3) . ?
B00V B01J 1.789(3) . ?
B00V B01K 1.778(3) . ?
B00W B013 1.754(3) . ?
B00W B01I 1.787(3) . ?
B00W B01K 1.776(3) . ?
B00X B00Y 1.767(3) . ?
B00X B00Z 1.759(3) . ?
B00X B015 1.768(3) . ?
B00X B019 1.767(3) . ?
B00Y B014 1.787(3) . ?
B00Y B015 1.778(3) . ?
B00Z B017 1.772(3) . ?
B00Z B019 1.780(3) . ?
B00Z B01A 1.776(3) . ?
B010 B012 1.758(3) . ?
B010 B01D 1.770(3) . ?
B010 B01F 1.738(3) . ?
B011 B01E 1.773(3) . ?
B011 B01J 1.746(3) . ?
B012 B01B 1.763(3) . ?
B012 B01F 1.795(3) . ?
B012 B01H 1.793(3) . ?
B013 B01C 1.787(3) . ?
B013 B01I 1.749(3) . ?
B014 B015 1.773(3) . ?
B014 B016 1.781(3) . ?
B014 B01L 1.777(3) . ?
B015 B016 1.792(3) . ?
B015 B019 1.787(3) . ?
B016 B019 1.782(3) . ?
B016 B01A 1.795(3) . ?
B016 B01L 1.777(3) . ?
B017 B01A 1.765(3) . ?
B017 B01L 1.775(3) . ?
B018 B01D 1.787(3) . ?
B018 B01G 1.787(3) . ?
B018 B01N 1.782(3) . ?
B019 B01A 1.783(3) . ?
B01A B01L 1.781(3) . ?
B01B B01G 1.786(3) . ?
B01B B01H 1.773(3) . ?
B01C B01E 1.789(3) . ?
B01C B01I 1.792(3) . ?
B01C B01M 1.781(3) . ?
B01D B01F 1.799(3) . ?
B01D B01N 1.782(3) . ?
B01E B01J 1.792(3) . ?
B01E B01M 1.779(3) . ?
B01F B01H 1.778(3) . ?
B01F B01N 1.781(3) . ?
B01G B01H 1.773(3) . ?
B01G B01N 1.779(3) . ?
B01H B01N 1.789(3) . ?
B01I B01K 1.781(3) . ?
B01I B01M 1.783(3) . ?
B01J B01K 1.772(3) . ?
B01J B01M 1.792(3) . ?
B01K B01M 1.789(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C004 P001 C005 111.88(8) . . ?
C004 P001 C006 110.38(8) . . ?
C005 P001 C006 107.04(8) . . ?
C009 P001 C004 107.59(8) . . ?
C009 P001 C005 108.98(8) . . ?
C009 P001 C006 110.99(8) . . ?
O002 B1 C007 109.34(12) . . ?
O002 B1 C00A 105.13(12) . . ?
O002 B1 C00O 101.49(12) . . ?
C00A B1 C007 117.94(13) . . ?
C00A B1 C00O 117.42(13) . . ?
C00O B1 C007 104.18(12) . . ?
C003 O002 B1 130.07(13) . . ?
C00A C2 B00Y 61.52(10) . . ?
C00A C2 B014 112.41(13) . . ?
C00A C2 B017 61.90(10) . . ?
C00A C2 B01L 112.54(13) . . ?
B014 C2 B00Y 62.73(11) . . ?
B017 C2 B00Y 113.95(13) . . ?
B017 C2 B014 114.17(13) . . ?
B01L C2 B00Y 114.37(13) . . ?
B01L C2 B014 62.59(11) . . ?
B01L C2 B017 62.49(11) . . ?
C009 C003 O002 174.19(17) . . ?
C00B C004 P001 121.16(13) . . ?
C00B C004 C00H 120.21(15) . . ?
C00H C004 P001 118.62(13) . . ?
C00D C005 P001 120.38(13) . . ?
C00D C005 C00E 120.25(15) . . ?
C00E C005 P001 119.37(13) . . ?
C00F C006 P001 121.83(13) . . ?
C00F C006 C00K 119.89(15) . . ?
C00K C006 P001 118.27(12) . . ?
B1 C007 B00V 130.70(13) . . ?
B1 C007 B00W 133.74(13) . . ?
B1 C007 B011 112.89(12) . . ?
B1 C007 B013 116.72(13) . . ?
C008 C007 B1 107.28(12) . . ?
C008 C007 B00V 108.63(12) . . ?
C008 C007 B00W 108.95(12) . . ?
C008 C007 B011 61.17(10) . . ?
C008 C007 B013 62.09(10) . . ?
B00V C007 B00W 59.88(10) . . ?
B00V C007 B011 60.31(10) . . ?
B011 C007 B00W 109.36(12) . . ?
B013 C007 B00V 109.54(13) . . ?
B013 C007 B00W 60.25(11) . . ?
B013 C007 B011 112.24(12) . . ?
C007 C008 B011 61.97(10) . . ?
C007 C008 B013 61.02(10) . . ?
C007 C008 B01C 112.50(13) . . ?
C007 C008 B01E 112.86(13) . . ?
C00C C008 C007 110.38(13) . . ?
C00C C008 B011 115.76(13) . . ?
C00C C008 B013 116.32(14) . . ?
C00C C008 B01C 125.43(14) . . ?
C00C C008 B01E 125.28(14) . . ?
B011 C008 B013 112.03(13) . . ?
B01C C008 B011 113.42(14) . . ?
B01C C008 B013 61.97(11) . . ?
B01E C008 B011 61.88(11) . . ?
B01E C008 B013 113.22(13) . . ?
B01E C008 B01C 62.99(11) . . ?
C003 C009 P001 178.96(17) . . ?
B1 C00A C2 122.51(13) . . ?
B1 C00A B00X 119.11(13) . . ?
B1 C00A B00Y 116.38(13) . . ?
B1 C00A B00Z 121.97(13) . . ?
B1 C00A B017 122.15(13) . . ?
C2 C00A B00X 108.01(12) . . ?
C2 C00A B00Y 60.74(10) . . ?
C2 C00A B00Z 108.46(12) . . ?
C2 C00A B017 60.34(10) . . ?
B00Y C00A B00X 61.13(10) . . ?
B00Y C00A B017 112.00(13) . . ?
B00Z C00A B00X 60.94(10) . . ?
B00Z C00A B00Y 111.41(12) . . ?
B00Z C00A B017 61.47(11) . . ?
B017 C00A B00X 110.87(12) . . ?
C00G C00B C004 119.54(16) . . ?
C008 C00C C00O 109.42(12) . . ?
C008 C00C B00U 114.88(13) . . ?
C008 C00C B010 116.65(13) . . ?
C008 C00C B018 125.71(14) . . ?
C008 C00C B01D 126.75(14) . . ?
C00O C00C B00U 61.71(10) . . ?
C00O C00C B010 61.92(10) . . ?
C00O C00C B018 112.86(14) . . ?
C00O C00C B01D 112.46(13) . . ?
B00U C00C B010 112.37(13) . . ?
B018 C00C B00U 62.17(11) . . ?
B018 C00C B010 112.59(13) . . ?
B018 C00C B01D 62.63(11) . . ?
B01D C00C B00U 113.23(14) . . ?
B01D C00C B010 61.21(11) . . ?
C00Q C00D C005 119.37(16) . . ?
C00M C00E C005 119.51(16) . . ?
C00N C00F C006 119.51(16) . . ?
C00J C00G C00B 120.31(17) . . ?
C00P C00H C004 119.48(17) . . ?
C00K C00I C00L 120.29(17) . . ?
C00G C00J C00P 120.27(16) . . ?
C00I C00K C006 119.75(16) . . ?
C00N C00L C00I 120.03(17) . . ?
C00R C00M C00E 119.95(17) . . ?
C00L C00N C00F 120.51(17) . . ?
B1 C00O B00U 119.57(13) . . ?
B1 C00O B010 111.15(12) . . ?
B1 C00O B012 127.35(13) . . ?
B1 C00O B01B 134.03(13) . . ?
C00C C00O B1 108.29(12) . . ?
C00C C00O B00U 61.35(10) . . ?
C00C C00O B010 61.76(10) . . ?
C00C C00O B012 109.65(12) . . ?
C00C C00O B01B 108.95(12) . . ?
B00U C00O B010 111.95(12) . . ?
B00U C00O B012 110.22(13) . . ?
B00U C00O B01B 60.26(11) . . ?
B012 C00O B010 60.39(10) . . ?
B012 C00O B01B 60.62(10) . . ?
B01B C00O B010 109.71(12) . . ?
C00H C00P C00J 120.19(17) . . ?
C00R C00Q C00D 120.33(17) . . ?
C00Q C00R C00M 120.59(16) . . ?
C00C B00U C00O 56.94(9) . . ?
C00C B00U B018 58.43(11) . . ?
C00C B00U B01B 105.50(13) . . ?
C00C B00U B01G 105.74(13) . . ?
C00O B00U B018 105.88(13) . . ?
C00O B00U B01B 60.29(10) . . ?
C00O B00U B01G 107.98(13) . . ?
B01B B00U B018 109.89(14) . . ?
B01G B00U B018 60.94(12) . . ?
B01G B00U B01B 61.44(12) . . ?
C007 B00V B00W 60.32(10) . . ?
C007 B00V B011 59.96(10) . . ?
C007 B00V B01J 106.07(14) . . ?
C007 B00V B01K 106.87(14) . . ?
B00W B00V B011 109.42(14) . . ?
B00W B00V B01J 108.45(14) . . ?
B00W B00V B01K 60.45(11) . . ?
B011 B00V B01J 58.93(11) . . ?
B011 B00V B01K 107.24(14) . . ?
B01K B00V B01J 59.58(11) . . ?
C007 B00W B01I 105.62(13) . . ?
C007 B00W B01K 106.55(13) . . ?
B00V B00W C007 59.80(10) . . ?
B00V B00W B013 108.67(14) . . ?
B00V B00W B01I 108.55(14) . . ?
B00V B00W B01K 60.56(11) . . ?
B013 B00W C007 59.27(10) . . ?
B013 B00W B01I 59.21(11) . . ?
B013 B00W B01K 107.64(14) . . ?
B01K B00W B01I 59.99(12) . . ?
C00A B00X B00Y 59.23(10) . . ?
C00A B00X B00Z 59.17(10) . . ?
C00A B00X B015 106.71(13) . . ?
C00A B00X B019 106.85(13) . . ?
B00Y B00X B015 60.39(11) . . ?
B00Z B00X B00Y 108.39(13) . . ?
B00Z B00X B015 109.19(13) . . ?
B00Z B00X B019 60.65(11) . . ?
B019 B00X B00Y 109.10(14) . . ?
B019 B00X B015 60.74(11) . . ?
C2 B00Y C00A 57.74(10) . . ?
C2 B00Y B00X 104.52(13) . . ?
C2 B00Y B014 58.42(10) . . ?
C2 B00Y B015 104.55(13) . . ?
C00A B00Y B00X 59.64(10) . . ?
C00A B00Y B014 105.87(13) . . ?
C00A B00Y B015 106.62(12) . . ?
B00X B00Y B014 107.20(13) . . ?
B00X B00Y B015 59.86(10) . . ?
B015 B00Y B014 59.65(11) . . ?
C00A B00Z B00X 59.89(10) . . ?
C00A B00Z B017 59.58(10) . . ?
C00A B00Z B019 106.83(13) . . ?
C00A B00Z B01A 106.56(13) . . ?
B00X B00Z B017 108.50(13) . . ?
B00X B00Z B019 59.89(11) . . ?
B00X B00Z B01A 108.17(13) . . ?
B017 B00Z B019 108.00(13) . . ?
B017 B00Z B01A 59.66(11) . . ?
B01A B00Z B019 60.18(11) . . ?
C00C B010 C00O 56.31(9) . . ?
C00C B010 B012 104.54(13) . . ?
C00C B010 B01D 58.66(10) . . ?
C00O B010 B012 59.43(10) . . ?
C00O B010 B01D 105.73(13) . . ?
B012 B010 B01D 110.56(14) . . ?
B01F B010 C00C 106.01(14) . . ?
B01F B010 C00O 107.58(14) . . ?
B01F B010 B012 61.77(12) . . ?
B01F B010 B01D 61.69(12) . . ?
C007 B011 B00V 59.73(10) . . ?
C007 B011 B01E 105.65(13) . . ?
C008 B011 C007 56.86(9) . . ?
C008 B011 B00V 104.76(13) . . ?
C008 B011 B01E 58.22(11) . . ?
C008 B011 B01J 105.75(14) . . ?
B00V B011 B01E 109.62(14) . . ?
B01J B011 C007 107.82(13) . . ?
B01J B011 B00V 61.40(11) . . ?
B01J B011 B01E 61.24(12) . . ?
C00O B012 B010 60.18(10) . . ?
C00O B012 B01B 60.03(10) . . ?
C00O B012 B01F 105.68(14) . . ?
C00O B012 B01H 106.06(13) . . ?
B010 B012 B01B 109.06(14) . . ?
B010 B012 B01F 58.58(11) . . ?
B010 B012 B01H 106.66(14) . . ?
B01B B012 B01F 107.65(14) . . ?
B01B B012 B01H 59.79(11) . . ?
B01H B012 B01F 59.42(11) . . ?
C007 B013 C008 56.89(9) . . ?
C007 B013 B00W 60.49(10) . . ?
C007 B013 B01C 105.75(13) . . ?
C007 B013 B01I 108.22(14) . . ?
C008 B013 B00W 105.09(13) . . ?
C008 B013 B01C 57.97(10) . . ?
B00W B013 B01C 109.57(14) . . ?
B01I B013 C008 105.22(13) . . ?
B01I B013 B00W 61.34(11) . . ?
B01I B013 B01C 60.90(11) . . ?
C2 B014 B00Y 58.85(10) . . ?
C2 B014 B015 105.09(13) . . ?
C2 B014 B016 104.97(13) . . ?
C2 B014 B01L 58.59(11) . . ?
B015 B014 B00Y 59.92(11) . . ?
B015 B014 B016 60.55(11) . . ?
B015 B014 B01L 108.31(14) . . ?
B016 B014 B00Y 108.32(14) . . ?
B01L B014 B00Y 107.92(13) . . ?
B01L B014 B016 59.94(11) . . ?
B00X B015 B00Y 59.76(10) . . ?
B00X B015 B014 107.73(13) . . ?
B00X B015 B016 107.39(13) . . ?
B00X B015 B019 59.58(11) . . ?
B00Y B015 B016 108.25(13) . . ?
B00Y B015 B019 107.67(13) . . ?
B014 B015 B00Y 60.43(11) . . ?
B014 B015 B016 59.95(11) . . ?
B014 B015 B019 107.61(13) . . ?
B019 B015 B016 59.72(11) . . ?
B014 B016 B015 59.50(11) . . ?
B014 B016 B019 107.49(13) . . ?
B014 B016 B01A 107.52(13) . . ?
B015 B016 B01A 107.60(13) . . ?
B019 B016 B015 60.02(11) . . ?
B019 B016 B01A 59.79(11) . . ?
B01L B016 B014 59.91(11) . . ?
B01L B016 B015 107.45(13) . . ?
B01L B016 B019 107.58(13) . . ?
B01L B016 B01A 59.79(11) . . ?
C2 B017 C00A 57.76(10) . . ?
C2 B017 B00Z 104.45(13) . . ?
C2 B017 B01A 105.27(13) . . ?
C2 B017 B01L 58.62(11) . . ?
C00A B017 B00Z 58.95(10) . . ?
C00A B017 B01A 106.55(13) . . ?
C00A B017 B01L 106.06(13) . . ?
B00Z B017 B01L 108.05(14) . . ?
B01A B017 B00Z 60.28(11) . . ?
B01A B017 B01L 60.39(11) . . ?
C00C B018 B00U 59.40(10) . . ?
C00C B018 B01D 58.97(11) . . ?
C00C B018 B01G 104.64(14) . . ?
C00C B018 B01N 104.79(14) . . ?
B00U B018 B01D 108.04(14) . . ?
B00U B018 B01G 58.56(11) . . ?
B00U B018 B01N 106.55(15) . . ?
B01G B018 B01D 107.78(15) . . ?
B01N B018 B01D 59.88(12) . . ?
B01N B018 B01G 59.81(12) . . ?
B00X B019 B00Z 59.46(10) . . ?
B00X B019 B015 59.68(10) . . ?
B00X B019 B016 107.90(13) . . ?
B00X B019 B01A 107.53(13) . . ?
B00Z B019 B015 107.40(13) . . ?
B00Z B019 B016 108.04(14) . . ?
B00Z B019 B01A 59.80(11) . . ?
B016 B019 B015 60.26(11) . . ?
B016 B019 B01A 60.46(11) . . ?
B01A B019 B015 108.32(14) . . ?
B00Z B01A B016 107.65(14) . . ?
B00Z B01A B019 60.02(11) . . ?
B00Z B01A B01L 107.62(13) . . ?
B017 B01A B00Z 60.05(11) . . ?
B017 B01A B016 107.97(14) . . ?
B017 B01A B019 108.18(13) . . ?
B017 B01A B01L 60.08(11) . . ?
B019 B01A B016 59.75(11) . . ?
B01L B01A B016 59.62(11) . . ?
B01L B01A B019 107.41(14) . . ?
C00O B01B B012 59.34(10) . . ?
C00O B01B B01G 105.48(14) . . ?
C00O B01B B01H 106.42(13) . . ?
B00U B01B C00O 59.44(10) . . ?
B00U B01B B012 108.51(14) . . ?
B00U B01B B01G 59.05(11) . . ?
B00U B01B B01H 107.42(14) . . ?
B012 B01B B01G 108.54(14) . . ?
B012 B01B B01H 60.95(11) . . ?
B01H B01B B01G 59.76(11) . . ?
C008 B01C B013 60.06(10) . . ?
C008 B01C B01E 58.32(11) . . ?
C008 B01C B01I 104.99(13) . . ?
C008 B01C B01M 104.56(14) . . ?
B013 B01C B01E 107.91(14) . . ?
B013 B01C B01I 58.52(11) . . ?
B01E B01C B01I 107.58(15) . . ?
B01M B01C B013 106.63(15) . . ?
B01M B01C B01E 59.79(12) . . ?
B01M B01C B01I 59.86(12) . . ?
C00C B01D B010 60.14(10) . . ?
C00C B01D B018 58.40(10) . . ?
C00C B01D B01F 104.54(14) . . ?
C00C B01D B01N 104.38(14) . . ?
B010 B01D B018 108.29(14) . . ?
B010 B01D B01F 58.30(11) . . ?
B010 B01D B01N 106.52(15) . . ?
B018 B01D B01F 107.55(15) . . ?
B01N B01D B018 59.91(12) . . ?
B01N B01D B01F 59.67(12) . . ?
C008 B01E B011 59.90(10) . . ?
C008 B01E B01C 58.69(11) . . ?
C008 B01E B01J 105.01(13) . . ?
C008 B01E B01M 104.91(13) . . ?
B011 B01E B01C 108.33(13) . . ?
B011 B01E B01J 58.62(11) . . ?
B011 B01E B01M 107.15(14) . . ?
B01C B01E B01J 108.01(14) . . ?
B01M B01E B01C 59.87(12) . . ?
B01M B01E B01J 60.22(12) . . ?
B010 B01F B012 59.64(11) . . ?
B010 B01F B01D 60.02(11) . . ?
B010 B01F B01H 108.18(14) . . ?
B010 B01F B01N 107.91(14) . . ?
B012 B01F B01D 107.57(13) . . ?
B01H B01F B012 60.26(11) . . ?
B01H B01F B01D 108.06(15) . . ?
B01H B01F B01N 60.33(12) . . ?
B01N B01F B012 108.11(14) . . ?
B01N B01F B01D 59.69(12) . . ?
B00U B01G B018 60.50(11) . . ?
B00U B01G B01B 59.51(11) . . ?
B00U B01G B01H 107.78(14) . . ?
B00U B01G B01N 108.21(15) . . ?
B01B B01G B018 108.02(14) . . ?
B01H B01G B018 108.48(15) . . ?
B01H B01G B01B 59.75(11) . . ?
B01H B01G B01N 60.47(12) . . ?
B01N B01G B018 59.96(12) . . ?
B01N B01G B01B 107.96(14) . . ?
B01B B01H B012 59.26(11) . . ?
B01B B01H B01F 107.96(14) . . ?
B01B B01H B01G 60.48(11) . . ?
B01B B01H B01N 108.12(15) . . ?
B01F B01H B012 60.33(11) . . ?
B01F B01H B01N 59.92(12) . . ?
B01G B01H B012 107.76(14) . . ?
B01G B01H B01F 108.13(16) . . ?
B01G B01H B01N 59.94(12) . . ?
B01N B01H B012 107.84(15) . . ?
B00W B01I B01C 107.83(13) . . ?
B013 B01I B00W 59.45(11) . . ?
B013 B01I B01C 60.58(11) . . ?
B013 B01I B01K 107.61(14) . . ?
B013 B01I B01M 108.18(14) . . ?
B01K B01I B00W 59.72(11) . . ?
B01K B01I B01C 107.98(14) . . ?
B01K B01I B01M 60.26(12) . . ?
B01M B01I B00W 107.82(14) . . ?
B01M B01I B01C 59.75(12) . . ?
B00V B01J B01E 107.39(14) . . ?
B00V B01J B01M 107.57(14) . . ?
B011 B01J B00V 59.66(11) . . ?
B011 B01J B01E 60.13(11) . . ?
B011 B01J B01K 108.08(14) . . ?
B011 B01J B01M 107.80(15) . . ?
B01K B01J B00V 59.90(11) . . ?
B01K B01J B01E 107.91(15) . . ?
B01K B01J B01M 60.26(12) . . ?
B01M B01J B01E 59.53(12) . . ?
B00V B01K B01I 107.53(14) . . ?
B00V B01K B01M 108.17(14) . . ?
B00W B01K B00V 58.99(10) . . ?
B00W B01K B01I 60.29(11) . . ?
B00W B01K B01M 108.00(15) . . ?
B01I B01K B01M 59.91(12) . . ?
B01J B01K B00V 60.52(11) . . ?
B01J B01K B00W 108.03(14) . . ?
B01J B01K B01I 108.53(15) . . ?
B01J B01K B01M 60.41(12) . . ?
C2 B01L B014 58.82(11) . . ?
C2 B01L B016 105.30(13) . . ?
C2 B01L B017 58.89(10) . . ?
C2 B01L B01A 104.80(13) . . ?
B014 B01L B016 60.15(11) . . ?
B014 B01L B01A 108.34(14) . . ?
B016 B01L B01A 60.59(11) . . ?
B017 B01L B014 108.13(13) . . ?
B017 B01L B016 108.31(14) . . ?
B017 B01L B01A 59.53(11) . . ?
B01C B01M B01I 60.39(12) . . ?
B01C B01M B01J 108.41(14) . . ?
B01C B01M B01K 108.14(14) . . ?
B01E B01M B01C 60.34(12) . . ?
B01E B01M B01I 108.43(14) . . ?
B01E B01M B01J 60.26(12) . . ?
B01E B01M B01K 107.75(14) . . ?
B01I B01M B01J 107.60(14) . . ?
B01I B01M B01K 59.83(12) . . ?
B01K B01M B01J 59.34(12) . . ?
B018 B01N B01H 108.00(14) . . ?
B01D B01N B018 60.21(12) . . ?
B01D B01N B01H 108.35(14) . . ?
B01F B01N B018 108.55(14) . . ?
B01F B01N B01D 60.64(12) . . ?
B01F B01N B01H 59.75(12) . . ?
B01G B01N B018 60.23(12) . . ?
B01G B01N B01D 108.37(14) . . ?
B01G B01N B01F 107.72(14) . . ?
B01G B01N B01H 59.59(12) . . ?

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
P001 C004 C00B C00G 179.10(13) . . . . ?
P001 C004 C00H C00P -178.88(14) . . . . ?
P001 C005 C00D C00Q 178.58(13) . . . . ?
P001 C005 C00E C00M -178.74(13) . . . . ?
P001 C006 C00F C00N -177.86(13) . . . . ?
P001 C006 C00K C00I 177.71(13) . . . . ?
B1 C007 C008 C00C -2.03(17) . . . . ?
B1 C007 C008 B011 107.09(13) . . . . ?
B1 C007 C008 B013 -111.60(14) . . . . ?
B1 C007 C008 B01C -147.44(14) . . . . ?
B1 C007 C008 B01E 143.59(13) . . . . ?
B1 C007 B00V B00W 123.73(17) . . . . ?
B1 C007 B00V B011 -95.76(17) . . . . ?
B1 C007 B00V B01J -133.86(16) . . . . ?
B1 C007 B00V B01K 163.74(15) . . . . ?
B1 C007 B00W B00V -119.22(19) . . . . ?
B1 C007 B00W B013 99.78(18) . . . . ?
B1 C007 B00W B01I 138.10(17) . . . . ?
B1 C007 B00W B01K -159.20(16) . . . . ?
B1 C007 B011 C008 -97.79(14) . . . . ?
B1 C007 B011 B00V 125.03(14) . . . . ?
B1 C007 B011 B01E -131.07(14) . . . . ?
B1 C007 B011 B01J 164.70(13) . . . . ?
B1 C007 B013 C008 96.29(14) . . . . ?
B1 C007 B013 B00W -127.14(15) . . . . ?
B1 C007 B013 B01C 128.96(14) . . . . ?
B1 C007 B013 B01I -167.09(13) . . . . ?
B1 C00A B00X B00Y -105.89(15) . . . . ?
B1 C00A B00X B00Z 112.57(15) . . . . ?
B1 C00A B00X B015 -144.69(13) . . . . ?
B1 C00A B00X B019 151.55(14) . . . . ?
B1 C00A B00Y C2 -114.19(14) . . . . ?
B1 C00A B00Y B00X 110.29(15) . . . . ?
B1 C00A B00Y B014 -148.78(13) . . . . ?
B1 C00A B00Y B015 148.83(13) . . . . ?
B1 C00A B00Z B00X -108.02(16) . . . . ?
B1 C00A B00Z B017 112.00(15) . . . . ?
B1 C00A B00Z B019 -146.65(14) . . . . ?
B1 C00A B00Z B01A 150.23(14) . . . . ?
B1 C00A B017 C2 111.87(15) . . . . ?
B1 C00A B017 B00Z -111.72(16) . . . . ?
B1 C00A B017 B01A -150.23(14) . . . . ?
B1 C00A B017 B01L 146.56(14) . . . . ?
B1 C00O B00U C00C -95.81(15) . . . . ?
B1 C00O B00U B018 -129.23(15) . . . . ?
B1 C00O B00U B01B 126.59(16) . . . . ?
B1 C00O B00U B01G 166.78(14) . . . . ?
B1 C00O B010 C00C 100.03(14) . . . . ?
B1 C00O B010 B012 -121.89(14) . . . . ?
B1 C00O B010 B01D 133.20(14) . . . . ?
B1 C00O B010 B01F -162.12(13) . . . . ?
B1 C00O B012 B010 95.08(17) . . . . ?
B1 C00O B012 B01B -125.01(17) . . . . ?
B1 C00O B012 B01F 133.35(15) . . . . ?
B1 C00O B012 B01H -164.62(15) . . . . ?
B1 C00O B01B B00U -103.79(18) . . . . ?
B1 C00O B01B B012 115.09(19) . . . . ?
B1 C00O B01B B01G -142.24(16) . . . . ?
B1 C00O B01B B01H 155.35(16) . . . . ?
O002 B1 C007 C008 -102.51(14) . . . . ?
O002 B1 C007 B00V 32.6(2) . . . . ?
O002 B1 C007 B00W 117.28(17) . . . . ?
O002 B1 C007 B011 -37.14(17) . . . . ?
O002 B1 C007 B013 -169.41(12) . . . . ?
O002 B1 C00A C2 -142.15(13) . . . . ?
O002 B1 C00A B00X -1.38(18) . . . . ?
O002 B1 C00A B00Y -71.47(16) . . . . ?
O002 B1 C00A B00Z 70.69(17) . . . . ?
O002 B1 C00A B017 144.86(13) . . . . ?
O002 B1 C00O C00C 106.85(13) . . . . ?
O002 B1 C00O B00U 173.70(13) . . . . ?
O002 B1 C00O B010 40.82(15) . . . . ?
O002 B1 C00O B012 -27.39(19) . . . . ?
O002 B1 C00O B01B -110.47(17) . . . . ?
C2 C00A B00X B00Y 39.99(12) . . . . ?
C2 C00A B00X B00Z -101.55(13) . . . . ?
C2 C00A B00X B015 1.19(16) . . . . ?
C2 C00A B00X B019 -62.57(15) . . . . ?
C2 C00A B00Y B00X -135.52(13) . . . . ?
C2 C00A B00Y B014 -34.59(12) . . . . ?
C2 C00A B00Y B015 -96.98(14) . . . . ?
C2 C00A B00Z B00X 100.80(13) . . . . ?
C2 C00A B00Z B017 -39.18(12) . . . . ?
C2 C00A B00Z B019 62.17(16) . . . . ?
C2 C00A B00Z B01A -0.95(16) . . . . ?
C2 C00A B017 B00Z 136.40(13) . . . . ?
C2 C00A B017 B01A 97.90(14) . . . . ?
C2 C00A B017 B01L 34.69(12) . . . . ?
C2 B00Y B014 B015 -134.55(14) . . . . ?
C2 B00Y B014 B016 -96.76(14) . . . . ?
C2 B00Y B014 B01L -33.34(13) . . . . ?
C2 B00Y B015 B00X -98.57(13) . . . . ?
C2 B00Y B015 B014 38.85(12) . . . . ?
C2 B00Y B015 B016 1.34(17) . . . . ?
C2 B00Y B015 B019 -61.78(16) . . . . ?
C2 B014 B015 B00X -1.31(17) . . . . ?
C2 B014 B015 B00Y -39.17(12) . . . . ?
C2 B014 B015 B016 98.91(14) . . . . ?
C2 B014 B015 B019 61.55(16) . . . . ?
C2 B014 B016 B015 -99.12(14) . . . . ?
C2 B014 B016 B019 -61.65(16) . . . . ?
C2 B014 B016 B01A 1.37(18) . . . . ?
C2 B014 B016 B01L 38.93(12) . . . . ?
C2 B014 B01L B016 -134.67(14) . . . . ?
C2 B014 B01L B017 -33.52(13) . . . . ?
C2 B014 B01L B01A -96.55(14) . . . . ?
C2 B017 B01A B00Z 98.16(14) . . . . ?
C2 B017 B01A B016 -2.26(18) . . . . ?
C2 B017 B01A B019 60.94(17) . . . . ?
C2 B017 B01A B01L -39.11(13) . . . . ?
C2 B017 B01L B014 33.50(13) . . . . ?
C2 B017 B01L B016 97.18(15) . . . . ?
C2 B017 B01L B01A 134.54(14) . . . . ?
C004 P001 C005 C00D 99.22(14) . . . . ?
C004 P001 C005 C00E -81.74(15) . . . . ?
C004 P001 C006 C00F -4.29(16) . . . . ?
C004 P001 C006 C00K 176.70(12) . . . . ?
C004 C00B C00G C00J -0.2(3) . . . . ?
C004 C00H C00P C00J -0.3(3) . . . . ?
C005 P001 C004 C00B 14.78(16) . . . . ?
C005 P001 C004 C00H -165.57(13) . . . . ?
C005 P001 C006 C00F -126.28(14) . . . . ?
C005 P001 C006 C00K 54.71(14) . . . . ?
C005 C00D C00Q C00R 0.2(3) . . . . ?
C005 C00E C00M C00R 0.1(3) . . . . ?
C006 P001 C004 C00B -104.31(14) . . . . ?
C006 P001 C004 C00H 75.34(15) . . . . ?
C006 P001 C005 C00D -139.74(14) . . . . ?
C006 P001 C005 C00E 39.30(15) . . . . ?
C006 C00F C00N C00L -0.2(3) . . . . ?
C007 B1 O002 C003 -45.7(2) . . . . ?
C007 B1 C00A C2 -20.0(2) . . . . ?
C007 B1 C00A B00X 120.74(15) . . . . ?
C007 B1 C00A B00Y 50.66(18) . . . . ?
C007 B1 C00A B00Z -167.19(13) . . . . ?
C007 B1 C00A B017 -93.01(17) . . . . ?
C007 B1 C00O C00C -6.73(15) . . . . ?
C007 B1 C00O B00U 60.12(17) . . . . ?
C007 B1 C00O B010 -72.75(15) . . . . ?
C007 B1 C00O B012 -140.97(15) . . . . ?
C007 B1 C00O B01B 135.95(16) . . . . ?
C007 C008 C00C C00O -2.33(17) . . . . ?
C007 C008 C00C B00U -69.35(16) . . . . ?
C007 C008 C00C B010 65.24(17) . . . . ?
C007 C008 C00C B018 -141.86(15) . . . . ?
C007 C008 C00C B01D 137.92(15) . . . . ?
C007 C008 B011 B00V 37.38(11) . . . . ?
C007 C008 B011 B01E 141.57(14) . . . . ?
C007 C008 B011 B01J 101.28(14) . . . . ?
C007 C008 B013 B00W -38.29(11) . . . . ?
C007 C008 B013 B01C -142.21(15) . . . . ?
C007 C008 B013 B01I -102.09(14) . . . . ?
C007 C008 B01C B013 35.46(13) . . . . ?
C007 C008 B01C B01E -105.12(15) . . . . ?
C007 C008 B01C B01I -3.46(18) . . . . ?
C007 C008 B01C B01M -65.59(16) . . . . ?
C007 C008 B01E B011 -36.54(13) . . . . ?
C007 C008 B01E B01C 104.55(15) . . . . ?
C007 C008 B01E B01J 2.34(17) . . . . ?
C007 C008 B01E B01M 64.90(17) . . . . ?
C007 B00V B00W B013 34.82(12) . . . . ?
C007 B00V B00W B01I 97.66(14) . . . . ?
C007 B00V B00W B01K 134.99(14) . . . . ?
C007 B00V B011 C008 -36.06(11) . . . . ?
C007 B00V B011 B01E -97.09(14) . . . . ?
C007 B00V B011 B01J -136.19(14) . . . . ?
C007 B00V B01J B011 38.58(12) . . . . ?
C007 B00V B01J B01E 0.57(17) . . . . ?
C007 B00V B01J B01K -100.44(15) . . . . ?
C007 B00V B01J B01M -62.16(17) . . . . ?
C007 B00V B01K B00W -39.95(12) . . . . ?
C007 B00V B01K B01I -2.73(17) . . . . ?
C007 B00V B01K B01J 99.05(15) . . . . ?
C007 B00V B01K B01M 60.55(17) . . . . ?
C007 B00W B013 C008 36.61(11) . . . . ?
C007 B00W B013 B01C 97.46(14) . . . . ?
C007 B00W B013 B01I 135.97(13) . . . . ?
C007 B00W B01I B013 -38.34(12) . . . . ?
C007 B00W B01I B01C -0.44(18) . . . . ?
C007 B00W B01I B01K 100.37(14) . . . . ?
C007 B00W B01I B01M 62.66(17) . . . . ?
C007 B00W B01K B00V 39.61(13) . . . . ?
C007 B00W B01K B01I -98.79(14) . . . . ?
C007 B00W B01K B01J 2.70(19) . . . . ?
C007 B00W B01K B01M -61.18(17) . . . . ?
C007 B011 B01E C008 32.71(12) . . . . ?
C007 B011 B01E B01C -1.71(18) . . . . ?
C007 B011 B01E B01J -102.05(14) . . . . ?
C007 B011 B01E B01M -64.90(17) . . . . ?
C007 B011 B01J B00V -38.90(13) . . . . ?
C007 B011 B01J B01E 98.44(14) . . . . ?
C007 B011 B01J B01K -2.25(19) . . . . ?
C007 B011 B01J B01M 61.44(17) . . . . ?
C007 B013 B01C C008 -32.23(12) . . . . ?
C007 B013 B01C B01E 2.37(19) . . . . ?
C007 B013 B01C B01I 102.41(15) . . . . ?
C007 B013 B01C B01M 65.28(16) . . . . ?
C007 B013 B01I B00W 39.56(12) . . . . ?
C007 B013 B01I B01C -98.27(14) . . . . ?
C007 B013 B01I B01K 2.85(17) . . . . ?
C007 B013 B01I B01M -60.82(17) . . . . ?
C008 C007 B00V B00W -101.58(13) . . . . ?
C008 C007 B00V B011 38.93(12) . . . . ?
C008 C007 B00V B01J 0.83(16) . . . . ?
C008 C007 B00V B01K -61.57(15) . . . . ?
C008 C007 B00W B00V 101.02(14) . . . . ?
C008 C007 B00W B013 -39.97(12) . . . . ?
C008 C007 B00W B01I -1.65(17) . . . . ?
C008 C007 B00W B01K 61.05(16) . . . . ?
C008 C007 B011 B00V -137.18(13) . . . . ?
C008 C007 B011 B01E -33.27(12) . . . . ?
C008 C007 B011 B01J -97.51(14) . . . . ?
C008 C007 B013 B00W 136.57(13) . . . . ?
C008 C007 B013 B01C 32.66(13) . . . . ?
C008 C007 B013 B01I 96.62(14) . . . . ?
C008 C00C C00O B1 5.84(17) . . . . ?
C008 C00C C00O B00U -108.47(14) . . . . ?
C008 C00C C00O B010 110.55(14) . . . . ?
C008 C00C C00O B012 148.63(13) . . . . ?
C008 C00C C00O B01B -146.72(13) . . . . ?
C008 C00C B00U C00O 99.59(14) . . . . ?
C008 C00C B00U B018 -118.86(16) . . . . ?
C008 C00C B00U B01B 137.02(14) . . . . ?
C008 C00C B00U B01G -158.91(14) . . . . ?
C008 C00C B010 C00O -98.85(15) . . . . ?
C008 C00C B010 B012 -135.31(14) . . . . ?
C008 C00C B010 B01D 119.21(16) . . . . ?
C008 C00C B010 B01F 160.40(14) . . . . ?
C008 C00C B018 B00U 101.91(17) . . . . ?
C008 C00C B018 B01D -117.23(18) . . . . ?
C008 C00C B018 B01G 140.57(16) . . . . ?
C008 C00C B018 B01N -157.37(15) . . . . ?
C008 C00C B01D B010 -103.20(18) . . . . ?
C008 C00C B01D B018 115.70(18) . . . . ?
C008 C00C B01D B01F -142.40(16) . . . . ?
C008 C00C B01D B01N 155.77(16) . . . . ?
C008 B011 B01E B01C -34.43(13) . . . . ?
C008 B011 B01E B01J -134.76(14) . . . . ?
C008 B011 B01E B01M -97.61(15) . . . . ?
C008 B011 B01J B00V -98.50(14) . . . . ?
C008 B011 B01J B01E 38.84(12) . . . . ?
C008 B011 B01J B01K -61.85(17) . . . . ?
C008 B011 B01J B01M 1.84(17) . . . . ?
C008 B013 B01C B01E 34.60(13) . . . . ?
C008 B013 B01C B01I 134.64(15) . . . . ?
C008 B013 B01C B01M 97.51(15) . . . . ?
C008 B013 B01I B00W 99.13(14) . . . . ?
C008 B013 B01I B01C -38.69(12) . . . . ?
C008 B013 B01I B01K 62.42(16) . . . . ?
C008 B013 B01I B01M -1.25(18) . . . . ?
C008 B01C B01E B011 34.92(13) . . . . ?
C008 B01C B01E B01J 96.95(14) . . . . ?
C008 B01C B01E B01M 134.53(14) . . . . ?
C008 B01C B01I B00W 2.27(18) . . . . ?
C008 B01C B01I B013 39.67(13) . . . . ?
C008 B01C B01I B01K -60.83(17) . . . . ?
C008 B01C B01I B01M -98.37(15) . . . . ?
C008 B01C B01M B01E -38.81(12) . . . . ?
C008 B01C B01M B01I 99.10(14) . . . . ?
C008 B01C B01M B01J -1.12(17) . . . . ?
C008 B01C B01M B01K 61.71(17) . . . . ?
C008 B01E B01J B00V -1.70(17) . . . . ?
C008 B01E B01J B011 -39.49(12) . . . . ?
C008 B01E B01J B01K 61.49(16) . . . . ?
C008 B01E B01J B01M 98.83(14) . . . . ?
C008 B01E B01M B01C 39.07(13) . . . . ?
C008 B01E B01M B01I 1.18(19) . . . . ?
C008 B01E B01M B01J -99.00(14) . . . . ?
C008 B01E B01M B01K -62.10(18) . . . . ?
C009 P001 C004 C00B 134.45(14) . . . . ?
C009 P001 C004 C00H -45.90(16) . . . . ?
C009 P001 C005 C00D -19.63(16) . . . . ?
C009 P001 C005 C00E 159.41(13) . . . . ?
C009 P001 C006 C00F 114.91(14) . . . . ?
C009 P001 C006 C00K -64.10(15) . . . . ?
C00A B1 O002 C003 81.87(18) . . . . ?
C00A B1 C007 C008 137.54(13) . . . . ?
C00A B1 C007 B00V -87.33(19) . . . . ?
C00A B1 C007 B00W -2.7(2) . . . . ?
C00A B1 C007 B011 -157.10(13) . . . . ?
C00A B1 C007 B013 70.63(18) . . . . ?
C00A B1 C00O C00C -139.22(13) . . . . ?
C00A B1 C00O B00U -72.37(18) . . . . ?
C00A B1 C00O B010 154.75(13) . . . . ?
C00A B1 C00O B012 86.54(19) . . . . ?
C00A B1 C00O B01B 3.5(2) . . . . ?
C00A C2 B00Y B00X 38.64(11) . . . . ?
C00A C2 B00Y B014 140.14(13) . . . . ?
C00A C2 B00Y B015 100.69(13) . . . . ?
C00A C2 B014 B00Y -37.55(12) . . . . ?
C00A C2 B014 B015 2.15(17) . . . . ?
C00A C2 B014 B016 65.08(16) . . . . ?
C00A C2 B014 B01L 104.66(15) . . . . ?
C00A C2 B017 B00Z -37.59(11) . . . . ?
C00A C2 B017 B01A -100.19(14) . . . . ?
C00A C2 B017 B01L -140.16(14) . . . . ?
C00A C2 B01L B014 -104.47(15) . . . . ?
C00A C2 B01L B016 -64.71(17) . . . . ?
C00A C2 B01L B017 37.72(13) . . . . ?
C00A C2 B01L B01A -1.73(17) . . . . ?
C00A B00X B00Y C2 -37.74(11) . . . . ?
C00A B00X B00Y B014 -98.65(13) . . . . ?
C00A B00X B00Y B015 -136.34(13) . . . . ?
C00A B00X B00Z B017 35.79(12) . . . . ?
C00A B00X B00Z B019 136.31(14) . . . . ?
C00A B00X B00Z B01A 99.00(14) . . . . ?
C00A B00X B015 B00Y 38.27(12) . . . . ?
C00A B00X B015 B014 0.11(17) . . . . ?
C00A B00X B015 B016 -63.11(16) . . . . ?
C00A B00X B015 B019 -100.30(14) . . . . ?
C00A B00X B019 B00Z -38.30(12) . . . . ?
C00A B00X B019 B015 100.06(14) . . . . ?
C00A B00X B019 B016 62.50(16) . . . . ?
C00A B00X B019 B01A -1.31(17) . . . . ?
C00A B00Y B014 C2 34.29(11) . . . . ?
C00A B00Y B014 B015 -100.26(13) . . . . ?
C00A B00Y B014 B016 -62.47(16) . . . . ?
C00A B00Y B014 B01L 0.95(17) . . . . ?
C00A B00Y B015 B00X -38.44(12) . . . . ?
C00A B00Y B015 B014 98.97(14) . . . . ?
C00A B00Y B015 B016 61.47(16) . . . . ?
C00A B00Y B015 B019 -1.65(17) . . . . ?
C00A B00Z B017 C2 37.03(11) . . . . ?
C00A B00Z B017 B01A 136.59(13) . . . . ?
C00A B00Z B017 B01L 98.25(14) . . . . ?
C00A B00Z B019 B00X 38.63(12) . . . . ?
C00A B00Z B019 B015 1.69(17) . . . . ?
C00A B00Z B019 B016 -61.91(16) . . . . ?
C00A B00Z B019 B01A -99.77(14) . . . . ?
C00A B00Z B01A B016 62.79(16) . . . . ?
C00A B00Z B01A B017 -38.19(12) . . . . ?
C00A B00Z B01A B019 100.24(14) . . . . ?
C00A B00Z B01A B01L -0.09(17) . . . . ?
C00A B017 B01A B00Z 37.89(12) . . . . ?
C00A B017 B01A B016 -62.53(17) . . . . ?
C00A B017 B01A B019 0.66(18) . . . . ?
C00A B017 B01A B01L -99.39(14) . . . . ?
C00A B017 B01L C2 -34.32(12) . . . . ?
C00A B017 B01L B014 -0.83(18) . . . . ?
C00A B017 B01L B016 62.86(17) . . . . ?
C00A B017 B01L B01A 100.21(14) . . . . ?
C00B C004 C00H C00P 0.8(3) . . . . ?
C00B C00G C00J C00P 0.7(3) . . . . ?
C00C C008 B011 C007 100.44(14) . . . . ?
C00C C008 B011 B00V 137.82(14) . . . . ?
C00C C008 B011 B01E -117.99(15) . . . . ?
C00C C008 B011 B01J -158.28(13) . . . . ?
C00C C008 B013 C007 -99.80(14) . . . . ?
C00C C008 B013 B00W -138.09(14) . . . . ?
C00C C008 B013 B01C 117.99(16) . . . . ?
C00C C008 B013 B01I 158.11(14) . . . . ?
C00C C008 B01C B013 -103.76(17) . . . . ?
C00C C008 B01C B01E 115.66(18) . . . . ?
C00C C008 B01C B01I -142.68(16) . . . . ?
C00C C008 B01C B01M 155.19(15) . . . . ?
C00C C008 B01E B011 103.04(17) . . . . ?
C00C C008 B01E B01C -115.87(18) . . . . ?
C00C C008 B01E B01J 141.91(15) . . . . ?
C00C C008 B01E B01M -155.53(16) . . . . ?
C00C C00O B00U B018 -33.43(13) . . . . ?
C00C C00O B00U B01B -137.60(13) . . . . ?
C00C C00O B00U B01G -97.41(14) . . . . ?
C00C C00O B010 B012 138.08(13) . . . . ?
C00C C00O B010 B01D 33.16(12) . . . . ?
C00C C00O B010 B01F 97.84(15) . . . . ?
C00C C00O B012 B010 -38.68(12) . . . . ?
C00C C00O B012 B01B 101.23(14) . . . . ?
C00C C00O B012 B01F -0.40(17) . . . . ?
C00C C00O B012 B01H 61.62(16) . . . . ?
C00C C00O B01B B00U 38.73(12) . . . . ?
C00C C00O B01B B012 -102.39(14) . . . . ?
C00C C00O B01B B01G 0.28(16) . . . . ?
C00C C00O B01B B01H -62.13(16) . . . . ?
C00C B00U B018 B01D -34.67(13) . . . . ?
C00C B00U B018 B01G -134.89(14) . . . . ?
C00C B00U B018 B01N -97.69(15) . . . . ?
C00C B00U B01B C00O -35.91(11) . . . . ?
C00C B00U B01B B012 -1.20(17) . . . . ?
C00C B00U B01B B01G 99.76(14) . . . . ?
C00C B00U B01B B01H 63.23(16) . . . . ?
C00C B00U B01G B018 38.84(12) . . . . ?
C00C B00U B01G B01B -99.36(14) . . . . ?
C00C B00U B01G B01H -62.76(17) . . . . ?
C00C B00U B01G B01N 1.18(18) . . . . ?
C00C B010 B012 C00O 35.05(11) . . . . ?
C00C B010 B012 B01B -1.12(17) . . . . ?
C00C B010 B012 B01F -100.61(14) . . . . ?
C00C B010 B012 B01H -64.23(15) . . . . ?
C00C B010 B01D B018 34.29(13) . . . . ?
C00C B010 B01D B01F 134.02(14) . . . . ?
C00C B010 B01D B01N 97.37(14) . . . . ?
C00C B010 B01F B012 98.18(14) . . . . ?
C00C B010 B01F B01D -39.71(13) . . . . ?
C00C B010 B01F B01H 61.08(17) . . . . ?
C00C B010 B01F B01N -2.73(18) . . . . ?
C00C B018 B01D B010 -35.00(13) . . . . ?
C00C B018 B01D B01F -96.58(14) . . . . ?
C00C B018 B01D B01N -133.90(15) . . . . ?
C00C B018 B01G B00U -39.08(12) . . . . ?
C00C B018 B01G B01B -1.92(17) . . . . ?
C00C B018 B01G B01H 61.34(16) . . . . ?
C00C B018 B01G B01N 98.82(14) . . . . ?
C00C B018 B01N B01D 39.69(13) . . . . ?
C00C B018 B01N B01F 1.69(19) . . . . ?
C00C B018 B01N B01G -98.56(14) . . . . ?
C00C B018 B01N B01H -61.59(17) . . . . ?
C00C B01D B01F B010 40.11(12) . . . . ?
C00C B01D B01F B012 2.74(18) . . . . ?
C00C B01D B01F B01H -60.89(17) . . . . ?
C00C B01D B01F B01N -98.36(15) . . . . ?
C00C B01D B01N B018 -39.31(13) . . . . ?
C00C B01D B01N B01F 98.65(14) . . . . ?
C00C B01D B01N B01G -1.79(19) . . . . ?
C00C B01D B01N B01H 61.36(17) . . . . ?
C00D C005 C00E C00M 0.3(2) . . . . ?
C00D C00Q C00R C00M 0.2(3) . . . . ?
C00E C005 C00D C00Q -0.5(3) . . . . ?
C00E C00M C00R C00Q -0.4(3) . . . . ?
C00F C006 C00K C00I -1.3(2) . . . . ?
C00G C00J C00P C00H -0.5(3) . . . . ?
C00H C004 C00B C00G -0.5(3) . . . . ?
C00I C00L C00N C00F -0.6(3) . . . . ?
C00K C006 C00F C00N 1.1(2) . . . . ?
C00K C00I C00L C00N 0.4(3) . . . . ?
C00L C00I C00K C006 0.6(3) . . . . ?
C00O B1 O002 C003 -155.32(15) . . . . ?
C00O B1 C007 C008 5.34(15) . . . . ?
C00O B1 C007 B00V 140.47(15) . . . . ?
C00O B1 C007 B00W -134.87(17) . . . . ?
C00O B1 C007 B011 70.70(15) . . . . ?
C00O B1 C007 B013 -61.57(16) . . . . ?
C00O B1 C00A C2 105.97(16) . . . . ?
C00O B1 C00A B00X -113.27(15) . . . . ?
C00O B1 C00A B00Y 176.64(13) . . . . ?
C00O B1 C00A B00Z -41.2(2) . . . . ?
C00O B1 C00A B017 33.0(2) . . . . ?
C00O C00C B00U B018 141.55(14) . . . . ?
C00O C00C B00U B01B 37.43(12) . . . . ?
C00O C00C B00U B01G 101.50(14) . . . . ?
C00O C00C B010 B012 -36.46(12) . . . . ?
C00O C00C B010 B01D -141.94(14) . . . . ?
C00O C00C B010 B01F -100.75(14) . . . . ?
C00O C00C B018 B00U -36.46(13) . . . . ?
C00O C00C B018 B01D 104.40(15) . . . . ?
C00O C00C B018 B01G 2.20(17) . . . . ?
C00O C00C B018 B01N 64.26(17) . . . . ?
C00O C00C B01D B010 36.06(13) . . . . ?
C00O C00C B01D B018 -105.03(15) . . . . ?
C00O C00C B01D B01F -3.14(18) . . . . ?
C00O C00C B01D B01N -64.97(17) . . . . ?
C00O B00U B018 C00C 32.81(12) . . . . ?
C00O B00U B018 B01D -1.86(19) . . . . ?
C00O B00U B018 B01G -102.07(15) . . . . ?
C00O B00U B018 B01N -64.87(17) . . . . ?
C00O B00U B01B B012 34.71(12) . . . . ?
C00O B00U B01B B01G 135.67(14) . . . . ?
C00O B00U B01B B01H 99.14(14) . . . . ?
C00O B00U B01G B018 98.55(14) . . . . ?
C00O B00U B01G B01B -39.65(13) . . . . ?
C00O B00U B01G B01H -3.05(19) . . . . ?
C00O B00U B01G B01N 60.88(18) . . . . ?
C00O B010 B012 B01B -36.17(12) . . . . ?
C00O B010 B012 B01F -135.66(14) . . . . ?
C00O B010 B012 B01H -99.28(14) . . . . ?
C00O B010 B01D C00C -32.21(12) . . . . ?
C00O B010 B01D B018 2.08(18) . . . . ?
C00O B010 B01D B01F 101.82(14) . . . . ?
C00O B010 B01D B01N 65.17(16) . . . . ?
C00O B010 B01F B012 39.14(12) . . . . ?
C00O B010 B01F B01D -98.76(14) . . . . ?
C00O B010 B01F B01H 2.03(19) . . . . ?
C00O B010 B01F B01N -61.78(18) . . . . ?
C00O B012 B01B B00U -34.75(12) . . . . ?
C00O B012 B01B B01G -97.38(15) . . . . ?
C00O B012 B01B B01H -134.84(14) . . . . ?
C00O B012 B01F B010 -39.03(12) . . . . ?
C00O B012 B01F B01D -1.50(17) . . . . ?
C00O B012 B01F B01H 99.66(14) . . . . ?
C00O B012 B01F B01N 61.53(17) . . . . ?
C00O B012 B01H B01B 39.73(13) . . . . ?
C00O B012 B01H B01F -99.01(15) . . . . ?
C00O B012 B01H B01G 2.15(18) . . . . ?
C00O B012 B01H B01N -61.14(17) . . . . ?
C00O B01B B01G B00U 38.64(12) . . . . ?
C00O B01B B01G B018 1.05(17) . . . . ?
C00O B01B B01G B01H -100.26(14) . . . . ?
C00O B01B B01G B01N -62.34(17) . . . . ?
C00O B01B B01H B012 -39.49(12) . . . . ?
C00O B01B B01H B01F -2.45(18) . . . . ?
C00O B01B B01H B01G 98.64(15) . . . . ?
C00O B01B B01H B01N 60.91(17) . . . . ?
B00U C00C C00O B1 114.31(14) . . . . ?
B00U C00C C00O B010 -140.98(13) . . . . ?
B00U C00C C00O B012 -102.90(14) . . . . ?
B00U C00C C00O B01B -38.25(12) . . . . ?
B00U C00C B010 C00O 36.84(12) . . . . ?
B00U C00C B010 B012 0.38(17) . . . . ?
B00U C00C B010 B01D -105.10(15) . . . . ?
B00U C00C B010 B01F -63.91(16) . . . . ?
B00U C00C B018 B01D 140.86(15) . . . . ?
B00U C00C B018 B01G 38.66(13) . . . . ?
B00U C00C B018 B01N 100.72(16) . . . . ?
B00U C00C B01D B010 103.69(15) . . . . ?
B00U C00C B01D B018 -37.40(14) . . . . ?
B00U C00C B01D B01F 64.49(17) . . . . ?
B00U C00C B01D B01N 2.66(18) . . . . ?
B00U C00O B010 C00C -36.56(13) . . . . ?
B00U C00O B010 B012 101.52(14) . . . . ?
B00U C00O B010 B01D -3.40(18) . . . . ?
B00U C00O B010 B01F 61.28(17) . . . . ?
B00U C00O B012 B010 -104.41(14) . . . . ?
B00U C00O B012 B01B 35.51(13) . . . . ?
B00U C00O B012 B01F -66.13(16) . . . . ?
B00U C00O B012 B01H -4.11(17) . . . . ?
B00U C00O B01B B012 -141.12(14) . . . . ?
B00U C00O B01B B01G -38.45(12) . . . . ?
B00U C00O B01B B01H -100.86(15) . . . . ?
B00U B018 B01D C00C 34.85(13) . . . . ?
B00U B018 B01D B010 -0.2(2) . . . . ?
B00U B018 B01D B01F -61.73(18) . . . . ?
B00U B018 B01D B01N -99.05(16) . . . . ?
B00U B018 B01G B01B 37.15(13) . . . . ?
B00U B018 B01G B01H 100.42(15) . . . . ?
B00U B018 B01G B01N 137.89(14) . . . . ?
B00U B018 B01N B01D 101.61(15) . . . . ?
B00U B018 B01N B01F 63.61(18) . . . . ?
B00U B018 B01N B01G -36.64(13) . . . . ?
B00U B018 B01N B01H 0.33(18) . . . . ?
B00U B01B B01G B018 -37.59(13) . . . . ?
B00U B01B B01G B01H -138.90(15) . . . . ?
B00U B01B B01G B01N -100.98(16) . . . . ?
B00U B01B B01H B012 -101.91(15) . . . . ?
B00U B01B B01H B01F -64.87(17) . . . . ?
B00U B01B B01H B01G 36.22(13) . . . . ?
B00U B01B B01H B01N -1.51(18) . . . . ?
B00U B01G B01H B012 0.5(2) . . . . ?
B00U B01G B01H B01B -36.50(13) . . . . ?
B00U B01G B01H B01F 64.30(18) . . . . ?
B00U B01G B01H B01N 101.28(16) . . . . ?
B00U B01G B01N B018 37.91(13) . . . . ?
B00U B01G B01N B01D 0.4(2) . . . . ?
B00U B01G B01N B01F -63.75(19) . . . . ?
B00U B01G B01N B01H -100.55(15) . . . . ?
B00V C007 C008 C00C -147.67(13) . . . . ?
B00V C007 C008 B011 -38.55(12) . . . . ?
B00V C007 C008 B013 102.76(14) . . . . ?
B00V C007 C008 B01C 66.93(16) . . . . ?
B00V C007 C008 B01E -2.05(17) . . . . ?
B00V C007 B00W B013 -140.99(13) . . . . ?
B00V C007 B00W B01I -102.67(14) . . . . ?
B00V C007 B00W B01K -39.98(13) . . . . ?
B00V C007 B011 C008 137.18(13) . . . . ?
B00V C007 B011 B01E 103.90(14) . . . . ?
B00V C007 B011 B01J 39.67(13) . . . . ?
B00V C007 B013 C008 -101.28(13) . . . . ?
B00V C007 B013 B00W 35.29(12) . . . . ?
B00V C007 B013 B01C -68.61(16) . . . . ?
B00V C007 B013 B01I -4.66(17) . . . . ?
B00V B00W B013 C007 -35.04(12) . . . . ?
B00V B00W B013 C008 1.57(16) . . . . ?
B00V B00W B013 B01C 62.41(16) . . . . ?
B00V B00W B013 B01I 100.92(14) . . . . ?
B00V B00W B01I B013 -101.14(15) . . . . ?
B00V B00W B01I B01C -63.23(18) . . . . ?
B00V B00W B01I B01K 37.58(13) . . . . ?
B00V B00W B01I B01M -0.14(19) . . . . ?
B00V B00W B01K B01I -138.40(15) . . . . ?
B00V B00W B01K B01J -36.92(14) . . . . ?
B00V B00W B01K B01M -100.79(15) . . . . ?
B00V B011 B01E C008 95.59(14) . . . . ?
B00V B011 B01E B01C 61.16(18) . . . . ?
B00V B011 B01E B01J -39.17(13) . . . . ?
B00V B011 B01E B01M -2.02(18) . . . . ?
B00V B011 B01J B01E 137.34(14) . . . . ?
B00V B011 B01J B01K 36.65(14) . . . . ?
B00V B011 B01J B01M 100.33(15) . . . . ?
B00V B01J B01K B00W 36.25(14) . . . . ?
B00V B01J B01K B01I 100.11(15) . . . . ?
B00V B01J B01K B01M 137.14(15) . . . . ?
B00V B01J B01M B01C 62.49(18) . . . . ?
B00V B01J B01M B01E 100.22(15) . . . . ?
B00V B01J B01M B01I -1.36(19) . . . . ?
B00V B01J B01M B01K -38.12(13) . . . . ?
B00V B01K B01M B01C -62.53(18) . . . . ?
B00V B01K B01M B01E 1.25(19) . . . . ?
B00V B01K B01M B01I -100.16(15) . . . . ?
B00V B01K B01M B01J 38.55(14) . . . . ?
B00W C007 C008 C00C 148.70(13) . . . . ?
B00W C007 C008 B011 -102.18(13) . . . . ?
B00W C007 C008 B013 39.13(12) . . . . ?
B00W C007 C008 B01C 3.29(18) . . . . ?
B00W C007 C008 B01E -65.68(16) . . . . ?
B00W C007 B00V B011 140.51(13) . . . . ?
B00W C007 B00V B01J 102.41(14) . . . . ?
B00W C007 B00V B01K 40.01(12) . . . . ?
B00W C007 B011 C008 101.51(13) . . . . ?
B00W C007 B011 B00V -35.66(13) . . . . ?
B00W C007 B011 B01E 68.24(16) . . . . ?
B00W C007 B011 B01J 4.01(17) . . . . ?
B00W C007 B013 C008 -136.57(13) . . . . ?
B00W C007 B013 B01C -103.90(15) . . . . ?
B00W C007 B013 B01I -39.95(12) . . . . ?
B00W B00V B011 C007 35.86(12) . . . . ?
B00W B00V B011 C008 -0.19(16) . . . . ?
B00W B00V B011 B01E -61.23(17) . . . . ?
B00W B00V B011 B01J -100.33(15) . . . . ?
B00W B00V B01J B011 102.02(15) . . . . ?
B00W B00V B01J B01E 64.01(17) . . . . ?
B00W B00V B01J B01K -36.99(14) . . . . ?
B00W B00V B01J B01M 1.29(19) . . . . ?
B00W B00V B01K B01I 37.21(13) . . . . ?
B00W B00V B01K B01J 138.99(15) . . . . ?
B00W B00V B01K B01M 100.49(16) . . . . ?
B00W B013 B01C C008 -95.94(14) . . . . ?
B00W B013 B01C B01E -61.33(18) . . . . ?
B00W B013 B01C B01I 38.70(13) . . . . ?
B00W B013 B01C B01M 1.58(18) . . . . ?
B00W B013 B01I B01C -137.82(14) . . . . ?
B00W B013 B01I B01K -36.71(13) . . . . ?
B00W B013 B01I B01M -100.38(16) . . . . ?
B00W B01I B01K B00V -36.64(13) . . . . ?
B00W B01I B01K B01J -100.63(14) . . . . ?
B00W B01I B01K B01M -137.87(14) . . . . ?
B00W B01I B01M B01C -100.65(15) . . . . ?
B00W B01I B01M B01E -62.78(19) . . . . ?
B00W B01I B01M B01J 0.9(2) . . . . ?
B00W B01I B01M B01K 37.48(13) . . . . ?
B00W B01K B01M B01C -0.14(18) . . . . ?
B00W B01K B01M B01E 63.63(18) . . . . ?
B00W B01K B01M B01I -37.77(13) . . . . ?
B00W B01K B01M B01J 100.93(15) . . . . ?
B00X C00A B00Y C2 135.52(13) . . . . ?
B00X C00A B00Y B014 100.94(14) . . . . ?
B00X C00A B00Y B015 38.54(12) . . . . ?
B00X C00A B00Z B017 -139.98(13) . . . . ?
B00X C00A B00Z B019 -38.63(12) . . . . ?
B00X C00A B00Z B01A -101.75(14) . . . . ?
B00X C00A B017 C2 -99.42(13) . . . . ?
B00X C00A B017 B00Z 36.98(12) . . . . ?
B00X C00A B017 B01A -1.53(17) . . . . ?
B00X C00A B017 B01L -64.73(16) . . . . ?
B00X B00Y B014 C2 96.77(14) . . . . ?
B00X B00Y B014 B015 -37.78(12) . . . . ?
B00X B00Y B014 B016 0.01(17) . . . . ?
B00X B00Y B014 B01L 63.43(16) . . . . ?
B00X B00Y B015 B014 137.41(14) . . . . ?
B00X B00Y B015 B016 99.90(14) . . . . ?
B00X B00Y B015 B019 36.79(13) . . . . ?
B00X B00Z B017 C2 1.12(16) . . . . ?
B00X B00Z B017 C00A -35.92(12) . . . . ?
B00X B00Z B017 B01A 100.68(14) . . . . ?
B00X B00Z B017 B01L 62.33(16) . . . . ?
B00X B00Z B019 B015 -36.95(13) . . . . ?
B00X B00Z B019 B016 -100.55(14) . . . . ?
B00X B00Z B019 B01A -138.41(14) . . . . ?
B00X B00Z B01A B016 -0.26(18) . . . . ?
B00X B00Z B01A B017 -101.24(14) . . . . ?
B00X B00Z B01A B019 37.19(13) . . . . ?
B00X B00Z B01A B01L -63.14(16) . . . . ?
B00X B015 B016 B014 100.81(14) . . . . ?
B00X B015 B016 B019 -37.13(12) . . . . ?
B00X B015 B016 B01A 0.46(18) . . . . ?
B00X B015 B016 B01L 63.48(17) . . . . ?
B00X B015 B019 B00Z 36.85(13) . . . . ?
B00X B015 B019 B016 138.08(14) . . . . ?
B00X B015 B019 B01A 100.01(14) . . . . ?
B00X B019 B01A B00Z -36.84(13) . . . . ?
B00X B019 B01A B016 101.04(14) . . . . ?
B00X B019 B01A B017 0.40(18) . . . . ?
B00X B019 B01A B01L 63.84(16) . . . . ?
B00Y C2 C00A B1 104.29(15) . . . . ?
B00Y C2 C00A B00X -40.18(12) . . . . ?
B00Y C2 C00A B00Z -104.72(13) . . . . ?
B00Y C2 C00A B017 -144.41(13) . . . . ?
B00Y C2 B014 B015 39.70(12) . . . . ?
B00Y C2 B014 B016 102.63(14) . . . . ?
B00Y C2 B014 B01L 142.21(14) . . . . ?
B00Y C2 B017 C00A 34.04(12) . . . . ?
B00Y C2 B017 B00Z -3.55(17) . . . . ?
B00Y C2 B017 B01A -66.15(17) . . . . ?
B00Y C2 B017 B01L -106.12(15) . . . . ?
B00Y C2 B01L B014 -36.72(14) . . . . ?
B00Y C2 B01L B016 3.03(18) . . . . ?
B00Y C2 B01L B017 105.47(15) . . . . ?
B00Y C2 B01L B01A 66.01(17) . . . . ?
B00Y C00A B00X B00Z -141.55(13) . . . . ?
B00Y C00A B00X B015 -38.81(12) . . . . ?
B00Y C00A B00X B019 -102.56(14) . . . . ?
B00Y C00A B00Z B00X 35.80(13) . . . . ?
B00Y C00A B00Z B017 -104.18(14) . . . . ?
B00Y C00A B00Z B019 -2.83(17) . . . . ?
B00Y C00A B00Z B01A -65.95(16) . . . . ?
B00Y C00A B017 C2 -33.20(12) . . . . ?
B00Y C00A B017 B00Z 103.20(13) . . . . ?
B00Y C00A B017 B01A 64.70(16) . . . . ?
B00Y C00A B017 B01L 1.49(17) . . . . ?
B00Y B00X B00Z C00A -34.27(12) . . . . ?
B00Y B00X B00Z B017 1.52(17) . . . . ?
B00Y B00X B00Z B019 102.04(15) . . . . ?
B00Y B00X B00Z B01A 64.73(16) . . . . ?
B00Y B00X B015 B014 -38.16(13) . . . . ?
B00Y B00X B015 B016 -101.38(14) . . . . ?
B00Y B00X B015 B019 -138.57(14) . . . . ?
B00Y B00X B019 B00Z -100.86(14) . . . . ?
B00Y B00X B019 B015 37.50(12) . . . . ?
B00Y B00X B019 B016 -0.06(17) . . . . ?
B00Y B00X B019 B01A -63.87(16) . . . . ?
B00Y B014 B015 B00X 37.86(12) . . . . ?
B00Y B014 B015 B016 138.09(14) . . . . ?
B00Y B014 B015 B019 100.72(14) . . . . ?
B00Y B014 B016 B015 -37.51(12) . . . . ?
B00Y B014 B016 B019 -0.04(17) . . . . ?
B00Y B014 B016 B01A 62.97(17) . . . . ?
B00Y B014 B016 B01L 100.53(14) . . . . ?
B00Y B014 B01L C2 33.45(13) . . . . ?
B00Y B014 B01L B016 -101.22(15) . . . . ?
B00Y B014 B01L B017 -0.08(18) . . . . ?
B00Y B014 B01L B01A -63.10(17) . . . . ?
B00Y B015 B016 B014 37.72(13) . . . . ?
B00Y B015 B016 B019 -100.23(14) . . . . ?
B00Y B015 B016 B01A -62.64(17) . . . . ?
B00Y B015 B016 B01L 0.39(18) . . . . ?
B00Y B015 B019 B00X -36.87(13) . . . . ?
B00Y B015 B019 B00Z -0.02(18) . . . . ?
B00Y B015 B019 B016 101.22(14) . . . . ?
B00Y B015 B019 B01A 63.14(16) . . . . ?
B00Z C00A B00X B00Y 141.55(13) . . . . ?
B00Z C00A B00X B015 102.74(14) . . . . ?
B00Z C00A B00X B019 38.98(12) . . . . ?
B00Z C00A B00Y C2 99.80(14) . . . . ?
B00Z C00A B00Y B00X -35.72(13) . . . . ?
B00Z C00A B00Y B014 65.21(16) . . . . ?
B00Z C00A B00Y B015 2.82(17) . . . . ?
B00Z C00A B017 C2 -136.40(13) . . . . ?
B00Z C00A B017 B01A -38.51(13) . . . . ?
B00Z C00A B017 B01L -101.71(14) . . . . ?
B00Z B00X B00Y C2 -3.49(16) . . . . ?
B00Z B00X B00Y C00A 34.25(12) . . . . ?
B00Z B00X B00Y B014 -64.41(16) . . . . ?
B00Z B00X B00Y B015 -102.09(14) . . . . ?
B00Z B00X B015 B00Y 100.75(14) . . . . ?
B00Z B00X B015 B014 62.58(16) . . . . ?
B00Z B00X B015 B016 -0.63(17) . . . . ?
B00Z B00X B015 B019 -37.82(13) . . . . ?
B00Z B00X B019 B015 138.36(14) . . . . ?
B00Z B00X B019 B016 100.80(15) . . . . ?
B00Z B00X B019 B01A 36.99(13) . . . . ?
B00Z B017 B01A B016 -100.42(15) . . . . ?
B00Z B017 B01A B019 -37.23(13) . . . . ?
B00Z B017 B01A B01L -137.28(14) . . . . ?
B00Z B017 B01L C2 -96.24(14) . . . . ?
B00Z B017 B01L B014 -62.74(17) . . . . ?
B00Z B017 B01L B016 0.94(18) . . . . ?
B00Z B017 B01L B01A 38.30(13) . . . . ?
B00Z B019 B01A B016 137.88(14) . . . . ?
B00Z B019 B01A B017 37.24(13) . . . . ?
B00Z B019 B01A B01L 100.67(14) . . . . ?
B00Z B01A B01L C2 1.06(17) . . . . ?
B00Z B01A B01L B014 62.60(17) . . . . ?
B00Z B01A B01L B016 100.52(15) . . . . ?
B00Z B01A B01L B017 -38.08(13) . . . . ?
B010 C00C C00O B1 -104.71(13) . . . . ?
B010 C00C C00O B00U 140.98(13) . . . . ?
B010 C00C C00O B012 38.08(12) . . . . ?
B010 C00C C00O B01B 102.73(13) . . . . ?
B010 C00C B00U C00O -36.92(12) . . . . ?
B010 C00C B00U B018 104.63(15) . . . . ?
B010 C00C B00U B01B 0.51(17) . . . . ?
B010 C00C B00U B01G 64.58(16) . . . . ?
B010 C00C B018 B00U -104.27(15) . . . . ?
B010 C00C B018 B01D 36.59(14) . . . . ?
B010 C00C B018 B01G -65.60(16) . . . . ?
B010 C00C B018 B01N -3.54(18) . . . . ?
B010 C00C B01D B018 -141.09(15) . . . . ?
B010 C00C B01D B01F -39.20(13) . . . . ?
B010 C00C B01D B01N -101.03(15) . . . . ?
B010 C00O B00U C00C 36.73(12) . . . . ?
B010 C00O B00U B018 3.30(18) . . . . ?
B010 C00O B00U B01B -100.87(14) . . . . ?
B010 C00O B00U B01G -60.68(17) . . . . ?
B010 C00O B012 B01B 139.91(14) . . . . ?
B010 C00O B012 B01F 38.28(12) . . . . ?
B010 C00O B012 B01H 100.30(15) . . . . ?
B010 C00O B01B B00U 104.63(14) . . . . ?
B010 C00O B01B B012 -36.49(13) . . . . ?
B010 C00O B01B B01G 66.18(16) . . . . ?
B010 C00O B01B B01H 3.77(17) . . . . ?
B010 B012 B01B C00O 36.23(12) . . . . ?
B010 B012 B01B B00U 1.48(18) . . . . ?
B010 B012 B01B B01G -61.15(17) . . . . ?
B010 B012 B01B B01H -98.61(15) . . . . ?
B010 B012 B01F B01D 37.53(13) . . . . ?
B010 B012 B01F B01H 138.69(15) . . . . ?
B010 B012 B01F B01N 100.57(16) . . . . ?
B010 B012 B01H B01B 102.72(15) . . . . ?
B010 B012 B01H B01F -36.02(13) . . . . ?
B010 B012 B01H B01G 65.14(17) . . . . ?
B010 B012 B01H B01N 1.85(18) . . . . ?
B010 B01D B01F B012 -37.36(13) . . . . ?
B010 B01D B01F B01H -101.00(15) . . . . ?
B010 B01D B01F B01N -138.47(14) . . . . ?
B010 B01D B01N B018 -101.91(15) . . . . ?
B010 B01D B01N B01F 36.04(13) . . . . ?
B010 B01D B01N B01G -64.39(18) . . . . ?
B010 B01D B01N B01H -1.24(18) . . . . ?
B010 B01F B01H B012 36.84(13) . . . . ?
B010 B01F B01H B01B 0.3(2) . . . . ?
B010 B01F B01H B01G -63.70(18) . . . . ?
B010 B01F B01H B01N -100.69(16) . . . . ?
B010 B01F B01N B018 0.7(2) . . . . ?
B010 B01F B01N B01D -37.12(13) . . . . ?
B010 B01F B01N B01G 64.41(19) . . . . ?
B010 B01F B01N B01H 101.15(15) . . . . ?
B011 C007 C008 C00C -109.12(14) . . . . ?
B011 C007 C008 B013 141.31(13) . . . . ?
B011 C007 C008 B01C 105.47(15) . . . . ?
B011 C007 C008 B01E 36.50(13) . . . . ?
B011 C007 B00V B00W -140.51(13) . . . . ?
B011 C007 B00V B01J -38.10(12) . . . . ?
B011 C007 B00V B01K -100.50(14) . . . . ?
B011 C007 B00W B00V 35.84(13) . . . . ?
B011 C007 B00W B013 -105.15(14) . . . . ?
B011 C007 B00W B01I -66.83(16) . . . . ?
B011 C007 B00W B01K -4.13(17) . . . . ?
B011 C007 B013 C008 -36.27(12) . . . . ?
B011 C007 B013 B00W 100.29(14) . . . . ?
B011 C007 B013 B01C -3.61(18) . . . . ?
B011 C007 B013 B01I 60.34(16) . . . . ?
B011 C008 C00C C00O -70.17(16) . . . . ?
B011 C008 C00C B00U -137.19(14) . . . . ?
B011 C008 C00C B010 -2.59(19) . . . . ?
B011 C008 C00C B018 150.30(15) . . . . ?
B011 C008 C00C B01D 70.1(2) . . . . ?
B011 C008 B013 C007 36.53(12) . . . . ?
B011 C008 B013 B00W -1.76(17) . . . . ?
B011 C008 B013 B01C -105.68(15) . . . . ?
B011 C008 B013 B01I -65.56(16) . . . . ?
B011 C008 B01C B013 103.45(15) . . . . ?
B011 C008 B01C B01E -37.13(13) . . . . ?
B011 C008 B01C B01I 64.53(17) . . . . ?
B011 C008 B01C B01M 2.40(17) . . . . ?
B011 C008 B01E B01C 141.09(14) . . . . ?
B011 C008 B01E B01J 38.87(12) . . . . ?
B011 C008 B01E B01M 101.44(15) . . . . ?
B011 B00V B00W C007 -35.71(12) . . . . ?
B011 B00V B00W B013 -0.89(17) . . . . ?
B011 B00V B00W B01I 61.95(17) . . . . ?
B011 B00V B00W B01K 99.28(15) . . . . ?
B011 B00V B01J B01E -38.01(13) . . . . ?
B011 B00V B01J B01K -139.02(16) . . . . ?
B011 B00V B01J B01M -100.74(16) . . . . ?
B011 B00V B01K B00W -102.97(15) . . . . ?
B011 B00V B01K B01I -65.75(16) . . . . ?
B011 B00V B01K B01J 36.03(13) . . . . ?
B011 B00V B01K B01M -2.47(18) . . . . ?
B011 B01E B01J B00V 37.80(13) . . . . ?
B011 B01E B01J B01K 100.99(14) . . . . ?
B011 B01E B01J B01M 138.33(14) . . . . ?
B011 B01E B01M B01C 101.62(15) . . . . ?
B011 B01E B01M B01I 63.73(19) . . . . ?
B011 B01E B01M B01J -36.45(13) . . . . ?
B011 B01E B01M B01K 0.45(19) . . . . ?
B011 B01J B01K B00V -36.55(14) . . . . ?
B011 B01J B01K B00W -0.3(2) . . . . ?
B011 B01J B01K B01I 63.57(18) . . . . ?
B011 B01J B01K B01M 100.59(16) . . . . ?
B011 B01J B01M B01C -0.46(18) . . . . ?
B011 B01J B01M B01E 37.27(13) . . . . ?
B011 B01J B01M B01I -64.31(18) . . . . ?
B011 B01J B01M B01K -101.07(15) . . . . ?
B012 C00O B00U C00C 101.95(14) . . . . ?
B012 C00O B00U B018 68.52(17) . . . . ?
B012 C00O B00U B01B -35.65(13) . . . . ?
B012 C00O B00U B01G 4.53(18) . . . . ?
B012 C00O B010 C00C -138.08(13) . . . . ?
B012 C00O B010 B01D -104.92(15) . . . . ?
B012 C00O B010 B01F -40.24(13) . . . . ?
B012 C00O B01B B00U 141.12(14) . . . . ?
B012 C00O B01B B01G 102.67(14) . . . . ?
B012 C00O B01B B01H 40.26(13) . . . . ?
B012 B010 B01D C00C -94.90(14) . . . . ?
B012 B010 B01D B018 -60.61(18) . . . . ?
B012 B010 B01D B01F 39.12(13) . . . . ?
B012 B010 B01D B01N 2.47(18) . . . . ?
B012 B010 B01F B01D -137.90(14) . . . . ?
B012 B010 B01F B01H -37.11(14) . . . . ?
B012 B010 B01F B01N -100.92(16) . . . . ?
B012 B01B B01G B00U 100.92(15) . . . . ?
B012 B01B B01G B018 63.33(17) . . . . ?
B012 B01B B01G B01H -37.98(14) . . . . ?
B012 B01B B01G B01N -0.06(19) . . . . ?
B012 B01B B01H B01F 37.04(14) . . . . ?
B012 B01B B01H B01G 138.13(15) . . . . ?
B012 B01B B01H B01N 100.40(16) . . . . ?
B012 B01F B01H B01B -36.57(13) . . . . ?
B012 B01F B01H B01G -100.54(15) . . . . ?
B012 B01F B01H B01N -137.52(15) . . . . ?
B012 B01F B01N B018 -62.37(19) . . . . ?
B012 B01F B01N B01D -100.18(15) . . . . ?
B012 B01F B01N B01G 1.4(2) . . . . ?
B012 B01F B01N B01H 38.09(13) . . . . ?
B012 B01H B01N B018 63.36(17) . . . . ?
B012 B01H B01N B01D -0.37(18) . . . . ?
B012 B01H B01N B01F -38.05(13) . . . . ?
B012 B01H B01N B01G 100.60(15) . . . . ?
B013 C007 C008 C00C 109.57(15) . . . . ?
B013 C007 C008 B011 -141.31(13) . . . . ?
B013 C007 C008 B01C -35.84(14) . . . . ?
B013 C007 C008 B01E -104.81(15) . . . . ?
B013 C007 B00V B00W -35.44(12) . . . . ?
B013 C007 B00V B011 105.07(13) . . . . ?
B013 C007 B00V B01J 66.97(15) . . . . ?
B013 C007 B00V B01K 4.57(16) . . . . ?
B013 C007 B00W B00V 140.99(13) . . . . ?
B013 C007 B00W B01I 38.32(13) . . . . ?
B013 C007 B00W B01K 101.02(15) . . . . ?
B013 C007 B011 C008 36.64(12) . . . . ?
B013 C007 B011 B00V -100.54(14) . . . . ?
B013 C007 B011 B01E 3.37(17) . . . . ?
B013 C007 B011 B01J -60.86(17) . . . . ?
B013 C008 C00C C00O 64.54(16) . . . . ?
B013 C008 C00C B00U -2.48(19) . . . . ?
B013 C008 C00C B010 132.11(14) . . . . ?
B013 C008 C00C B018 -74.99(19) . . . . ?
B013 C008 C00C B01D -155.21(15) . . . . ?
B013 C008 B011 C007 -36.15(12) . . . . ?
B013 C008 B011 B00V 1.23(16) . . . . ?
B013 C008 B011 B01E 105.42(14) . . . . ?
B013 C008 B011 B01J 65.13(16) . . . . ?
B013 C008 B01C B01E -140.58(15) . . . . ?
B013 C008 B01C B01I -38.92(13) . . . . ?
B013 C008 B01C B01M -101.05(15) . . . . ?
B013 C008 B01E B011 -103.51(14) . . . . ?
B013 C008 B01E B01C 37.58(14) . . . . ?
B013 C008 B01E B01J -64.63(16) . . . . ?
B013 C008 B01E B01M -2.07(18) . . . . ?
B013 B00W B01I B01C 37.90(14) . . . . ?
B013 B00W B01I B01K 138.72(14) . . . . ?
B013 B00W B01I B01M 101.00(15) . . . . ?
B013 B00W B01K B00V 101.90(15) . . . . ?
B013 B00W B01K B01I -36.50(13) . . . . ?
B013 B00W B01K B01J 64.99(18) . . . . ?
B013 B00W B01K B01M 1.11(18) . . . . ?
B013 B01C B01E C008 -35.33(13) . . . . ?
B013 B01C B01E B011 -0.4(2) . . . . ?
B013 B01C B01E B01J 61.62(18) . . . . ?
B013 B01C B01E B01M 99.20(16) . . . . ?
B013 B01C B01I B00W -37.40(13) . . . . ?
B013 B01C B01I B01K -100.50(15) . . . . ?
B013 B01C B01I B01M -138.03(15) . . . . ?
B013 B01C B01M B01E -101.39(14) . . . . ?
B013 B01C B01M B01I 36.53(13) . . . . ?
B013 B01C B01M B01J -63.69(17) . . . . ?
B013 B01C B01M B01K -0.86(18) . . . . ?
B013 B01I B01K B00V -0.04(18) . . . . ?
B013 B01I B01K B00W 36.59(13) . . . . ?
B013 B01I B01K B01J -64.04(17) . . . . ?
B013 B01I B01K B01M -101.28(15) . . . . ?
B013 B01I B01M B01C -37.81(14) . . . . ?
B013 B01I B01M B01E 0.1(2) . . . . ?
B013 B01I B01M B01J 63.77(19) . . . . ?
B013 B01I B01M B01K 100.32(15) . . . . ?
B014 C2 C00A B1 142.33(14) . . . . ?
B014 C2 C00A B00X -2.14(17) . . . . ?
B014 C2 C00A B00Y 38.04(13) . . . . ?
B014 C2 C00A B00Z -66.67(16) . . . . ?
B014 C2 C00A B017 -106.37(15) . . . . ?
B014 C2 B00Y C00A -140.14(13) . . . . ?
B014 C2 B00Y B00X -101.50(14) . . . . ?
B014 C2 B00Y B015 -39.45(12) . . . . ?
B014 C2 B017 C00A 103.54(15) . . . . ?
B014 C2 B017 B00Z 65.95(16) . . . . ?
B014 C2 B017 B01A 3.35(18) . . . . ?
B014 C2 B017 B01L -36.62(14) . . . . ?
B014 C2 B01L B016 39.76(13) . . . . ?
B014 C2 B01L B017 142.19(14) . . . . ?
B014 C2 B01L B01A 102.74(14) . . . . ?
B014 B00Y B015 B00X -137.41(14) . . . . ?
B014 B00Y B015 B016 -37.51(13) . . . . ?
B014 B00Y B015 B019 -100.62(15) . . . . ?
B014 B015 B016 B019 -137.95(14) . . . . ?
B014 B015 B016 B01A -100.35(15) . . . . ?
B014 B015 B016 B01L -37.33(13) . . . . ?
B014 B015 B019 B00X -100.61(14) . . . . ?
B014 B015 B019 B00Z -63.76(16) . . . . ?
B014 B015 B019 B016 37.47(12) . . . . ?
B014 B015 B019 B01A -0.60(17) . . . . ?
B014 B016 B019 B00X 0.06(17) . . . . ?
B014 B016 B019 B00Z 62.91(16) . . . . ?
B014 B016 B019 B015 -37.24(12) . . . . ?
B014 B016 B019 B01A 100.47(14) . . . . ?
B014 B016 B01A B00Z -62.85(17) . . . . ?
B014 B016 B01A B017 0.56(19) . . . . ?
B014 B016 B01A B019 -100.42(15) . . . . ?
B014 B016 B01A B01L 37.61(13) . . . . ?
B014 B016 B01L C2 -39.11(13) . . . . ?
B014 B016 B01L B017 -100.83(15) . . . . ?
B014 B016 B01L B01A -137.73(14) . . . . ?
B015 B00X B00Y C2 98.60(14) . . . . ?
B015 B00X B00Y C00A 136.34(13) . . . . ?
B015 B00X B00Y B014 37.68(12) . . . . ?
B015 B00X B00Z C00A -98.44(14) . . . . ?
B015 B00X B00Z B017 -62.66(16) . . . . ?
B015 B00X B00Z B019 37.87(13) . . . . ?
B015 B00X B00Z B01A 0.55(17) . . . . ?
B015 B00X B019 B00Z -138.36(14) . . . . ?
B015 B00X B019 B016 -37.56(13) . . . . ?
B015 B00X B019 B01A -101.37(15) . . . . ?
B015 B00Y B014 C2 134.55(14) . . . . ?
B015 B00Y B014 B016 37.79(12) . . . . ?
B015 B00Y B014 B01L 101.20(15) . . . . ?
B015 B014 B016 B019 37.47(12) . . . . ?
B015 B014 B016 B01A 100.49(15) . . . . ?
B015 B014 B016 B01L 138.04(14) . . . . ?
B015 B014 B01L C2 96.84(14) . . . . ?
B015 B014 B01L B016 -37.82(13) . . . . ?
B015 B014 B01L B017 63.32(17) . . . . ?
B015 B014 B01L B01A 0.30(18) . . . . ?
B015 B016 B019 B00X 37.30(12) . . . . ?
B015 B016 B019 B00Z 100.14(14) . . . . ?
B015 B016 B019 B01A 137.71(14) . . . . ?
B015 B016 B01A B00Z -0.13(18) . . . . ?
B015 B016 B01A B017 63.28(17) . . . . ?
B015 B016 B01A B019 -37.69(13) . . . . ?
B015 B016 B01A B01L 100.34(15) . . . . ?
B015 B016 B01L C2 -1.97(18) . . . . ?
B015 B016 B01L B014 37.15(13) . . . . ?
B015 B016 B01L B017 -63.69(17) . . . . ?
B015 B016 B01L B01A -100.58(15) . . . . ?
B015 B019 B01A B00Z -99.89(14) . . . . ?
B015 B019 B01A B016 37.98(12) . . . . ?
B015 B019 B01A B017 -62.65(17) . . . . ?
B015 B019 B01A B01L 0.78(17) . . . . ?
B016 B014 B015 B00X -100.22(14) . . . . ?
B016 B014 B015 B00Y -138.09(14) . . . . ?
B016 B014 B015 B019 -37.37(12) . . . . ?
B016 B014 B01L C2 134.67(14) . . . . ?
B016 B014 B01L B017 101.14(15) . . . . ?
B016 B014 B01L B01A 38.12(13) . . . . ?
B016 B015 B019 B00X -138.08(14) . . . . ?
B016 B015 B019 B00Z -101.23(15) . . . . ?
B016 B015 B019 B01A -38.07(13) . . . . ?
B016 B019 B01A B00Z -137.88(14) . . . . ?
B016 B019 B01A B017 -100.63(15) . . . . ?
B016 B019 B01A B01L -37.20(13) . . . . ?
B016 B01A B01L C2 -99.46(14) . . . . ?
B016 B01A B01L B014 -37.92(13) . . . . ?
B016 B01A B01L B017 -138.60(14) . . . . ?
B017 C2 C00A B1 -111.30(16) . . . . ?
B017 C2 C00A B00X 104.23(13) . . . . ?
B017 C2 C00A B00Y 144.41(13) . . . . ?
B017 C2 C00A B00Z 39.70(12) . . . . ?
B017 C2 B00Y C00A -34.18(12) . . . . ?
B017 C2 B00Y B00X 4.47(17) . . . . ?
B017 C2 B00Y B014 105.96(15) . . . . ?
B017 C2 B00Y B015 66.52(16) . . . . ?
B017 C2 B014 B00Y -105.63(15) . . . . ?
B017 C2 B014 B015 -65.93(17) . . . . ?
B017 C2 B014 B016 -3.00(18) . . . . ?
B017 C2 B014 B01L 36.58(14) . . . . ?
B017 C2 B01L B014 -142.19(14) . . . . ?
B017 C2 B01L B016 -102.43(15) . . . . ?
B017 C2 B01L B01A -39.45(13) . . . . ?
B017 C00A B00X B00Y 104.34(14) . . . . ?
B017 C00A B00X B00Z -37.20(12) . . . . ?
B017 C00A B00X B015 65.54(15) . . . . ?
B017 C00A B00X B019 1.78(17) . . . . ?
B017 C00A B00Y C2 33.06(12) . . . . ?
B017 C00A B00Y B00X -102.47(14) . . . . ?
B017 C00A B00Y B014 -1.53(17) . . . . ?
B017 C00A B00Y B015 -63.93(16) . . . . ?
B017 C00A B00Z B00X 139.98(13) . . . . ?
B017 C00A B00Z B019 101.35(14) . . . . ?
B017 C00A B00Z B01A 38.22(12) . . . . ?
B017 B00Z B019 B00X 101.38(14) . . . . ?
B017 B00Z B019 B015 64.43(16) . . . . ?
B017 B00Z B019 B016 0.83(17) . . . . ?
B017 B00Z B019 B01A -37.03(13) . . . . ?
B017 B00Z B01A B016 100.98(15) . . . . ?
B017 B00Z B01A B019 138.42(14) . . . . ?
B017 B00Z B01A B01L 38.09(13) . . . . ?
B017 B01A B01L C2 39.14(12) . . . . ?
B017 B01A B01L B014 100.68(15) . . . . ?
B017 B01A B01L B016 138.60(14) . . . . ?
B018 C00C C00O B1 150.95(13) . . . . ?
B018 C00C C00O B00U 36.64(13) . . . . ?
B018 C00C C00O B010 -104.34(14) . . . . ?
B018 C00C C00O B012 -66.26(16) . . . . ?
B018 C00C C00O B01B -1.61(17) . . . . ?
B018 C00C B00U C00O -141.55(14) . . . . ?
B018 C00C B00U B01B -104.12(15) . . . . ?
B018 C00C B00U B01G -40.05(13) . . . . ?
B018 C00C B010 C00O 104.77(15) . . . . ?
B018 C00C B010 B012 68.31(16) . . . . ?
B018 C00C B010 B01D -37.16(14) . . . . ?
B018 C00C B010 B01F 4.03(18) . . . . ?
B018 C00C B01D B010 141.09(15) . . . . ?
B018 C00C B01D B01F 101.89(16) . . . . ?
B018 C00C B01D B01N 40.06(14) . . . . ?
B018 B00U B01B C00O -97.39(14) . . . . ?
B018 B00U B01B B012 -62.68(17) . . . . ?
B018 B00U B01B B01G 38.28(13) . . . . ?
B018 B00U B01B B01H 1.75(18) . . . . ?
B018 B00U B01G B01B -138.21(14) . . . . ?
B018 B00U B01G B01H -101.60(16) . . . . ?
B018 B00U B01G B01N -37.67(14) . . . . ?
B018 B01D B01F B010 101.04(14) . . . . ?
B018 B01D B01F B012 63.68(17) . . . . ?
B018 B01D B01F B01H 0.05(18) . . . . ?
B018 B01D B01F B01N -37.42(13) . . . . ?
B018 B01D B01N B01F 137.96(15) . . . . ?
B018 B01D B01N B01G 37.52(14) . . . . ?
B018 B01D B01N B01H 100.67(15) . . . . ?
B018 B01G B01H B012 -63.48(17) . . . . ?
B018 B01G B01H B01B -100.52(15) . . . . ?
B018 B01G B01H B01F 0.28(18) . . . . ?
B018 B01G B01H B01N 37.25(13) . . . . ?
B018 B01G B01N B01D -37.51(14) . . . . ?
B018 B01G B01N B01F -101.65(16) . . . . ?
B018 B01G B01N B01H -138.46(14) . . . . ?
B019 B00X B00Y C2 60.95(16) . . . . ?
B019 B00X B00Y C00A 98.68(14) . . . . ?
B019 B00X B00Y B014 0.03(17) . . . . ?
B019 B00X B00Y B015 -37.66(13) . . . . ?
B019 B00X B00Z C00A -136.31(14) . . . . ?
B019 B00X B00Z B017 -100.52(14) . . . . ?
B019 B00X B00Z B01A -37.31(13) . . . . ?
B019 B00X B015 B00Y 138.57(14) . . . . ?
B019 B00X B015 B014 100.41(14) . . . . ?
B019 B00X B015 B016 37.19(13) . . . . ?
B019 B00Z B017 C2 -62.31(15) . . . . ?
B019 B00Z B017 C00A -99.34(14) . . . . ?
B019 B00Z B017 B01A 37.25(13) . . . . ?
B019 B00Z B017 B01L -1.09(17) . . . . ?
B019 B00Z B01A B016 -37.45(13) . . . . ?
B019 B00Z B01A B017 -138.42(14) . . . . ?
B019 B00Z B01A B01L -100.33(14) . . . . ?
B019 B015 B016 B014 137.95(14) . . . . ?
B019 B015 B016 B01A 37.59(13) . . . . ?
B019 B015 B016 B01L 100.62(14) . . . . ?
B019 B016 B01A B00Z 37.57(13) . . . . ?
B019 B016 B01A B017 100.98(15) . . . . ?
B019 B016 B01A B01L 138.03(14) . . . . ?
B019 B016 B01L C2 61.30(17) . . . . ?
B019 B016 B01L B014 100.41(15) . . . . ?
B019 B016 B01L B017 -0.42(18) . . . . ?
B019 B016 B01L B01A -37.32(13) . . . . ?
B019 B01A B01L C2 -62.20(16) . . . . ?
B019 B01A B01L B014 -0.67(17) . . . . ?
B019 B01A B01L B016 37.26(13) . . . . ?
B019 B01A B01L B017 -101.34(14) . . . . ?
B01A B00Z B017 C2 -99.56(14) . . . . ?
B01A B00Z B017 C00A -136.59(13) . . . . ?
B01A B00Z B017 B01L -38.35(13) . . . . ?
B01A B00Z B019 B00X 138.41(14) . . . . ?
B01A B00Z B019 B015 101.46(15) . . . . ?
B01A B00Z B019 B016 37.86(13) . . . . ?
B01A B016 B019 B00X -100.41(14) . . . . ?
B01A B016 B019 B00Z -37.57(13) . . . . ?
B01A B016 B019 B015 -137.71(14) . . . . ?
B01A B016 B01L C2 98.62(14) . . . . ?
B01A B016 B01L B014 137.73(14) . . . . ?
B01A B016 B01L B017 36.90(13) . . . . ?
B01A B017 B01L C2 -134.54(14) . . . . ?
B01A B017 B01L B014 -101.04(15) . . . . ?
B01A B017 B01L B016 -37.36(13) . . . . ?
B01B C00O B00U C00C 137.60(13) . . . . ?
B01B C00O B00U B018 104.17(15) . . . . ?
B01B C00O B00U B01G 40.19(13) . . . . ?
B01B C00O B010 C00C -101.49(13) . . . . ?
B01B C00O B010 B012 36.59(13) . . . . ?
B01B C00O B010 B01D -68.33(16) . . . . ?
B01B C00O B010 B01F -3.65(17) . . . . ?
B01B C00O B012 B010 -139.91(14) . . . . ?
B01B C00O B012 B01F -101.64(14) . . . . ?
B01B C00O B012 B01H -39.61(13) . . . . ?
B01B B00U B018 C00C 96.39(14) . . . . ?
B01B B00U B018 B01D 61.72(18) . . . . ?
B01B B00U B018 B01G -38.50(13) . . . . ?
B01B B00U B018 B01N -1.30(18) . . . . ?
B01B B00U B01G B018 138.21(14) . . . . ?
B01B B00U B01G B01H 36.61(14) . . . . ?
B01B B00U B01G B01N 100.54(15) . . . . ?
B01B B012 B01F B010 -101.96(15) . . . . ?
B01B B012 B01F B01D -64.43(17) . . . . ?
B01B B012 B01F B01H 36.73(13) . . . . ?
B01B B012 B01F B01N -1.39(19) . . . . ?
B01B B012 B01H B01F -138.74(15) . . . . ?
B01B B012 B01H B01G -37.59(14) . . . . ?
B01B B012 B01H B01N -100.88(16) . . . . ?
B01B B01G B01H B012 37.04(13) . . . . ?
B01B B01G B01H B01F 100.80(15) . . . . ?
B01B B01G B01H B01N 137.78(15) . . . . ?
B01B B01G B01N B018 100.85(15) . . . . ?
B01B B01G B01N B01D 63.34(19) . . . . ?
B01B B01G B01N B01F -0.8(2) . . . . ?
B01B B01G B01N B01H -37.61(14) . . . . ?
B01B B01H B01N B018 0.72(19) . . . . ?
B01B B01H B01N B01D -63.00(17) . . . . ?
B01B B01H B01N B01F -100.68(15) . . . . ?
B01B B01H B01N B01G 37.97(13) . . . . ?
B01C C008 C00C C00O 137.60(15) . . . . ?
B01C C008 C00C B00U 70.58(19) . . . . ?
B01C C008 C00C B010 -154.83(15) . . . . ?
B01C C008 C00C B018 -1.9(2) . . . . ?
B01C C008 C00C B01D -82.2(2) . . . . ?
B01C C008 B011 C007 -104.00(14) . . . . ?
B01C C008 B011 B00V -66.62(16) . . . . ?
B01C C008 B011 B01E 37.58(13) . . . . ?
B01C C008 B011 B01J -2.72(17) . . . . ?
B01C C008 B013 C007 142.21(15) . . . . ?
B01C C008 B013 B00W 103.92(15) . . . . ?
B01C C008 B013 B01I 40.12(14) . . . . ?
B01C C008 B01E B011 -141.09(14) . . . . ?
B01C C008 B01E B01J -102.21(15) . . . . ?
B01C C008 B01E B01M -39.65(14) . . . . ?
B01C B013 B01I B00W 137.82(14) . . . . ?
B01C B013 B01I B01K 101.11(15) . . . . ?
B01C B013 B01I B01M 37.44(14) . . . . ?
B01C B01E B01J B00V -63.10(17) . . . . ?
B01C B01E B01J B011 -100.90(15) . . . . ?
B01C B01E B01J B01K 0.09(18) . . . . ?
B01C B01E B01J B01M 37.43(13) . . . . ?
B01C B01E B01M B01I -37.89(14) . . . . ?
B01C B01E B01M B01J -138.07(14) . . . . ?
B01C B01E B01M B01K -101.17(15) . . . . ?
B01C B01I B01K B00V 63.93(17) . . . . ?
B01C B01I B01K B00W 100.56(14) . . . . ?
B01C B01I B01K B01J -0.07(18) . . . . ?
B01C B01I B01K B01M -37.31(13) . . . . ?
B01C B01I B01M B01E 37.87(14) . . . . ?
B01C B01I B01M B01J 101.58(16) . . . . ?
B01C B01I B01M B01K 138.13(14) . . . . ?
B01D C00C C00O B1 -140.49(13) . . . . ?
B01D C00C C00O B00U 105.20(15) . . . . ?
B01D C00C C00O B010 -35.78(13) . . . . ?
B01D C00C C00O B012 2.30(17) . . . . ?
B01D C00C C00O B01B 66.95(16) . . . . ?
B01D C00C B00U C00O -103.96(14) . . . . ?
B01D C00C B00U B018 37.59(14) . . . . ?
B01D C00C B00U B01B -66.53(16) . . . . ?
B01D C00C B00U B01G -2.46(18) . . . . ?
B01D C00C B010 C00O 141.94(14) . . . . ?
B01D C00C B010 B012 105.48(15) . . . . ?
B01D C00C B010 B01F 41.19(14) . . . . ?
B01D C00C B018 B00U -140.86(15) . . . . ?
B01D C00C B018 B01G -102.20(15) . . . . ?
B01D C00C B018 B01N -40.14(14) . . . . ?
B01D B010 B012 C00O 96.58(14) . . . . ?
B01D B010 B012 B01B 60.41(17) . . . . ?
B01D B010 B012 B01F -39.08(13) . . . . ?
B01D B010 B012 B01H -2.70(18) . . . . ?
B01D B010 B01F B012 137.90(14) . . . . ?
B01D B010 B01F B01H 100.79(16) . . . . ?
B01D B010 B01F B01N 36.98(14) . . . . ?
B01D B018 B01G B00U -100.67(14) . . . . ?
B01D B018 B01G B01B -63.52(17) . . . . ?
B01D B018 B01G B01H -0.25(18) . . . . ?
B01D B018 B01G B01N 37.22(13) . . . . ?
B01D B018 B01N B01F -38.00(14) . . . . ?
B01D B018 B01N B01G -138.25(14) . . . . ?
B01D B018 B01N B01H -101.27(15) . . . . ?
B01D B01F B01H B012 100.34(15) . . . . ?
B01D B01F B01H B01B 63.77(18) . . . . ?
B01D B01F B01H B01G -0.20(18) . . . . ?
B01D B01F B01H B01N -37.19(13) . . . . ?
B01D B01F B01N B018 37.81(14) . . . . ?
B01D B01F B01N B01G 101.54(16) . . . . ?
B01D B01F B01N B01H 138.27(14) . . . . ?
B01E C008 C00C C00O -142.73(15) . . . . ?
B01E C008 C00C B00U 150.25(15) . . . . ?
B01E C008 C00C B010 -75.16(19) . . . . ?
B01E C008 C00C B018 77.7(2) . . . . ?
B01E C008 C00C B01D -2.5(2) . . . . ?
B01E C008 B011 C007 -141.57(14) . . . . ?
B01E C008 B011 B00V -104.20(14) . . . . ?
B01E C008 B011 B01J -40.30(13) . . . . ?
B01E C008 B013 C007 104.22(15) . . . . ?
B01E C008 B013 B00W 65.92(16) . . . . ?
B01E C008 B013 B01C -37.99(14) . . . . ?
B01E C008 B013 B01I 2.13(18) . . . . ?
B01E C008 B01C B013 140.58(15) . . . . ?
B01E C008 B01C B01I 101.66(16) . . . . ?
B01E C008 B01C B01M 39.53(13) . . . . ?
B01E B011 B01J B00V -137.34(14) . . . . ?
B01E B011 B01J B01K -100.69(16) . . . . ?
B01E B011 B01J B01M -37.00(13) . . . . ?
B01E B01C B01I B00W 63.22(17) . . . . ?
B01E B01C B01I B013 100.62(15) . . . . ?
B01E B01C B01I B01K 0.12(17) . . . . ?
B01E B01C B01I B01M -37.41(13) . . . . ?
B01E B01C B01M B01I 137.91(14) . . . . ?
B01E B01C B01M B01J 37.70(13) . . . . ?
B01E B01C B01M B01K 100.53(15) . . . . ?
B01E B01J B01K B00V -100.12(15) . . . . ?
B01E B01J B01K B00W -63.87(17) . . . . ?
B01E B01J B01K B01I -0.01(18) . . . . ?
B01E B01J B01K B01M 37.02(13) . . . . ?
B01E B01J B01M B01C -37.73(13) . . . . ?
B01E B01J B01M B01I -101.58(16) . . . . ?
B01E B01J B01M B01K -138.34(14) . . . . ?
B01F B010 B012 C00O 135.66(14) . . . . ?
B01F B010 B012 B01B 99.49(15) . . . . ?
B01F B010 B012 B01H 36.38(13) . . . . ?
B01F B010 B01D C00C -134.02(14) . . . . ?
B01F B010 B01D B018 -99.73(16) . . . . ?
B01F B010 B01D B01N -36.65(13) . . . . ?
B01F B012 B01B C00O 98.28(14) . . . . ?
B01F B012 B01B B00U 63.53(16) . . . . ?
B01F B012 B01B B01G 0.89(18) . . . . ?
B01F B012 B01B B01H -36.57(14) . . . . ?
B01F B012 B01H B01B 138.74(15) . . . . ?
B01F B012 B01H B01G 101.16(16) . . . . ?
B01F B012 B01H B01N 37.87(13) . . . . ?
B01F B01D B01N B018 -137.96(15) . . . . ?
B01F B01D B01N B01G -100.44(16) . . . . ?
B01F B01D B01N B01H -37.29(13) . . . . ?
B01F B01H B01N B018 101.41(15) . . . . ?
B01F B01H B01N B01D 37.68(13) . . . . ?
B01F B01H B01N B01G 138.66(15) . . . . ?
B01G B00U B018 C00C 134.89(14) . . . . ?
B01G B00U B018 B01D 100.21(16) . . . . ?
B01G B00U B018 B01N 37.20(13) . . . . ?
B01G B00U B01B C00O -135.67(13) . . . . ?
B01G B00U B01B B012 -100.96(15) . . . . ?
B01G B00U B01B B01H -36.53(13) . . . . ?
B01G B018 B01D C00C 96.71(14) . . . . ?
B01G B018 B01D B010 61.70(17) . . . . ?
B01G B018 B01D B01F 0.13(17) . . . . ?
B01G B018 B01D B01N -37.19(13) . . . . ?
B01G B018 B01N B01D 138.25(14) . . . . ?
B01G B018 B01N B01F 100.25(16) . . . . ?
B01G B018 B01N B01H 36.97(13) . . . . ?
B01G B01B B01H B012 -138.13(15) . . . . ?
B01G B01B B01H B01F -101.09(17) . . . . ?
B01G B01B B01H B01N -37.73(14) . . . . ?
B01G B01H B01N B018 -37.25(13) . . . . ?
B01G B01H B01N B01D -100.98(15) . . . . ?
B01G B01H B01N B01F -138.66(15) . . . . ?
B01H B012 B01B C00O 134.84(14) . . . . ?
B01H B012 B01B B00U 100.09(15) . . . . ?
B01H B012 B01B B01G 37.46(14) . . . . ?
B01H B012 B01F B010 -138.69(15) . . . . ?
B01H B012 B01F B01D -101.16(15) . . . . ?
B01H B012 B01F B01N -38.12(14) . . . . ?
B01H B01B B01G B00U 138.90(15) . . . . ?
B01H B01B B01G B018 101.31(15) . . . . ?
B01H B01B B01G B01N 37.92(14) . . . . ?
B01H B01F B01N B018 -100.46(16) . . . . ?
B01H B01F B01N B01D -138.27(14) . . . . ?
B01H B01F B01N B01G -36.73(14) . . . . ?
B01H B01G B01N B018 138.46(14) . . . . ?
B01H B01G B01N B01D 100.94(16) . . . . ?
B01H B01G B01N B01F 36.80(14) . . . . ?
B01I B00W B013 C007 -135.97(13) . . . . ?
B01I B00W B013 C008 -99.35(14) . . . . ?
B01I B00W B013 B01C -38.51(13) . . . . ?
B01I B00W B01K B00V 138.40(15) . . . . ?
B01I B00W B01K B01J 101.48(16) . . . . ?
B01I B00W B01K B01M 37.61(13) . . . . ?
B01I B013 B01C C008 -134.64(15) . . . . ?
B01I B013 B01C B01E -100.03(16) . . . . ?
B01I B013 B01C B01M -37.12(13) . . . . ?
B01I B01C B01E C008 -97.08(14) . . . . ?
B01I B01C B01E B011 -62.16(17) . . . . ?
B01I B01C B01E B01J -0.13(17) . . . . ?
B01I B01C B01E B01M 37.45(13) . . . . ?
B01I B01C B01M B01E -137.91(14) . . . . ?
B01I B01C B01M B01J -100.22(15) . . . . ?
B01I B01C B01M B01K -37.38(13) . . . . ?
B01I B01K B01M B01C 37.63(13) . . . . ?
B01I B01K B01M B01E 101.41(16) . . . . ?
B01I B01K B01M B01J 138.71(15) . . . . ?
B01J B00V B00W C007 -98.38(14) . . . . ?
B01J B00V B00W B013 -63.55(16) . . . . ?
B01J B00V B00W B01I -0.71(18) . . . . ?
B01J B00V B00W B01K 36.62(13) . . . . ?
B01J B00V B011 C007 136.19(14) . . . . ?
B01J B00V B011 C008 100.14(14) . . . . ?
B01J B00V B011 B01E 39.10(14) . . . . ?
B01J B00V B01K B00W -138.99(15) . . . . ?
B01J B00V B01K B01I -101.78(16) . . . . ?
B01J B00V B01K B01M -38.50(14) . . . . ?
B01J B011 B01E C008 134.76(14) . . . . ?
B01J B011 B01E B01C 100.34(16) . . . . ?
B01J B011 B01E B01M 37.15(14) . . . . ?
B01J B01E B01M B01C 138.07(14) . . . . ?
B01J B01E B01M B01I 100.18(16) . . . . ?
B01J B01E B01M B01K 36.90(14) . . . . ?
B01J B01K B01M B01C -101.08(15) . . . . ?
B01J B01K B01M B01E -37.30(14) . . . . ?
B01J B01K B01M B01I -138.71(15) . . . . ?
B01K B00V B00W C007 -134.99(14) . . . . ?
B01K B00V B00W B013 -100.17(15) . . . . ?
B01K B00V B00W B01I -37.33(14) . . . . ?
B01K B00V B011 C007 99.88(14) . . . . ?
B01K B00V B011 C008 63.83(16) . . . . ?
B01K B00V B011 B01E 2.79(18) . . . . ?
B01K B00V B011 B01J -36.31(13) . . . . ?
B01K B00V B01J B011 139.02(15) . . . . ?
B01K B00V B01J B01E 101.01(16) . . . . ?
B01K B00V B01J B01M 38.28(14) . . . . ?
B01K B00W B013 C007 -99.13(14) . . . . ?
B01K B00W B013 C008 -62.52(15) . . . . ?
B01K B00W B013 B01C -1.67(18) . . . . ?
B01K B00W B013 B01I 36.83(13) . . . . ?
B01K B00W B01I B013 -138.72(14) . . . . ?
B01K B00W B01I B01C -100.81(15) . . . . ?
B01K B00W B01I B01M -37.72(14) . . . . ?
B01K B01I B01M B01C -138.13(14) . . . . ?
B01K B01I B01M B01E -100.26(16) . . . . ?
B01K B01I B01M B01J -36.55(14) . . . . ?
B01K B01J B01M B01C 100.61(15) . . . . ?
B01K B01J B01M B01E 138.34(14) . . . . ?
B01K B01J B01M B01I 36.76(14) . . . . ?
B01L C2 C00A B1 -149.26(14) . . . . ?
B01L C2 C00A B00X 66.27(16) . . . . ?
B01L C2 C00A B00Y 106.45(14) . . . . ?
B01L C2 C00A B00Z 1.73(17) . . . . ?
B01L C2 C00A B017 -37.96(13) . . . . ?
B01L C2 B00Y C00A -103.47(15) . . . . ?
B01L C2 B00Y B00X -64.83(17) . . . . ?
B01L C2 B00Y B014 36.67(14) . . . . ?
B01L C2 B00Y B015 -2.78(18) . . . . ?
B01L C2 B014 B00Y -142.21(14) . . . . ?
B01L C2 B014 B015 -102.51(15) . . . . ?
B01L C2 B014 B016 -39.58(13) . . . . ?
B01L C2 B017 C00A 140.16(14) . . . . ?
B01L C2 B017 B00Z 102.57(14) . . . . ?
B01L C2 B017 B01A 39.97(13) . . . . ?
B01L B014 B015 B00X -62.67(16) . . . . ?
B01L B014 B015 B00Y -100.53(14) . . . . ?
B01L B014 B015 B016 37.55(13) . . . . ?
B01L B014 B015 B019 0.19(17) . . . . ?
B01L B014 B016 B015 -138.04(14) . . . . ?
B01L B014 B016 B019 -100.58(14) . . . . ?
B01L B014 B016 B01A -37.56(13) . . . . ?
B01L B016 B019 B00X -63.10(17) . . . . ?
B01L B016 B019 B00Z -0.25(18) . . . . ?
B01L B016 B019 B015 -100.39(14) . . . . ?
B01L B016 B019 B01A 37.32(13) . . . . ?
B01L B016 B01A B00Z -100.47(15) . . . . ?
B01L B016 B01A B017 -37.05(13) . . . . ?
B01L B016 B01A B019 -138.03(14) . . . . ?
B01L B017 B01A B00Z 137.28(14) . . . . ?
B01L B017 B01A B016 36.85(13) . . . . ?
B01L B017 B01A B019 100.05(15) . . . . ?
B01M B01C B01E C008 -134.53(14) . . . . ?
B01M B01C B01E B011 -99.60(16) . . . . ?
B01M B01C B01E B01J -37.58(13) . . . . ?
B01M B01C B01I B00W 100.63(16) . . . . ?
B01M B01C B01I B013 138.03(15) . . . . ?
B01M B01C B01I B01K 37.54(13) . . . . ?
B01M B01E B01J B00V -100.53(15) . . . . ?
B01M B01E B01J B011 -138.33(14) . . . . ?
B01M B01E B01J B01K -37.34(13) . . . . ?
B01M B01I B01K B00V 101.24(15) . . . . ?
B01M B01I B01K B00W 137.87(14) . . . . ?
B01M B01I B01K B01J 37.24(13) . . . . ?
B01M B01J B01K B00V -137.14(15) . . . . ?
B01M B01J B01K B00W -100.89(16) . . . . ?
B01M B01J B01K B01I -37.03(13) . . . . ?
B01N B018 B01D C00C 133.90(15) . . . . ?
B01N B018 B01D B010 98.90(16) . . . . ?
B01N B018 B01D B01F 37.32(13) . . . . ?
B01N B018 B01G B00U -137.89(14) . . . . ?
B01N B018 B01G B01B -100.74(15) . . . . ?
B01N B018 B01G B01H -37.47(13) . . . . ?
B01N B01D B01F B010 138.47(14) . . . . ?
B01N B01D B01F B012 101.10(15) . . . . ?
B01N B01D B01F B01H 37.47(13) . . . . ?
B01N B01F B01H B012 137.52(15) . . . . ?
B01N B01F B01H B01B 100.96(16) . . . . ?
B01N B01F B01H B01G 36.98(13) . . . . ?
B01N B01G B01H B012 -100.74(16) . . . . ?
B01N B01G B01H B01B -137.78(15) . . . . ?
B01N B01G B01H B01F -36.97(13) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
