# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
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# Audit and citation data items may have been added by the CCDC. 
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data_11_a
_database_code_depnum_ccdc_archive 'CCDC 2025251'
loop_
_audit_author_name
_audit_author_address
'Hou-ji Cao'
;Nanjing University
China
;
_audit_update_record             
;
2020-08-25 deposited with the CCDC.	2021-11-19 downloaded from the CCDC.
;
_audit_creation_date             2020-08-24
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H34 B10 N2 O3 S, C Cl3 D'
_chemical_formula_sum            'C23 H34 B10 Cl3 D N2 O3 S'
_chemical_formula_weight         635.04
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
D D 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   10.5400(11)
_cell_length_b                   12.1568(14)
_cell_length_c                   14.1284(14)
_cell_angle_alpha                71.811(3)
_cell_angle_beta                 76.438(3)
_cell_angle_gamma                65.487(3)
_cell_volume                     1553.3(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5927
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.38
_cell_measurement_theta_min      2.30
_shelx_estimated_absorpt_T_max   0.947
_shelx_estimated_absorpt_T_min   0.933
_exptl_absorpt_coefficient_mu    0.393
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6145
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0699 before and 0.0444 after correction. The Ratio of minimum to maximum transmission is 0.8243. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.358
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             656
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0276
_diffrn_reflns_av_unetI/netI     0.0549
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13290
_diffrn_reflns_point_group_measured_fraction_full 0.679
_diffrn_reflns_point_group_measured_fraction_max 0.664
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.411
_diffrn_reflns_theta_min         2.128
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.346
_reflns_Friedel_fraction_full    0.367
_reflns_Friedel_fraction_max     0.342
_reflns_number_gt                7860
_reflns_number_total             9387
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         0.428
_refine_diff_density_min         -0.291
_refine_diff_density_rms         0.052
_refine_ls_abs_structure_details 
;
 Flack x determined using 1733 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.02(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     761
_refine_ls_number_reflns         9387
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0607
_refine_ls_R_factor_gt           0.0461
_refine_ls_restrained_S_all      1.039
_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)+(0.0433P)²+0.5010P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0996
_refine_ls_wR_factor_ref         0.1089
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C11(H11), C11A(H11B), C23(D23), C23A(D23A)
2.b Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C15A(H15C,H15D), C15(H15A,H15B), C13A(H13C,H13D), C12(H12A,H12B),
  C13(H13A,H13B), C12A(H12C,H12D), C14(H14A,H14B), C9A(H9AA,H9AB), C14A(H14C,
 H14D)
2.c Aromatic/amide H refined with riding coordinates:
 C19(H19), C17(H17), C5A(H5AA), C5(H5), C18(H18), C18A(H18A), C20(H20),
 C19A(H19A), C20A(H20A), C17A(H17A), C7(H7), C6(H6), C6A(H6AA), C8(H8),
 C7A(H7AA), C8A(H8AB)
2.d Idealised Me refined as rotating group:
 C3A(H3AA,H3AB,H3AC), C3(H3A,H3B,H3C), C22A(H22D,H22E,H22F), C22(H22A,H22B,H22C)
2.e Boron cage BH refined with riding coordinates:
 B5A(H5AB), B7(H7A), B5(H5A), B3A(H3AD), B3(H3), B8A(H8AA), B7A(H7AB),
 B6A(H6AB), B10A(H10A), B11(H11A), B9A(H9AC), B12A(H12E), B11A(H11C), B9(H9),
 B12(H12), B6(H6A), B8(H8A), B10(H10)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
S1 S 0.59628(11) 0.69859(11) 0.31382(7) 0.0311(2) Uani 1 1 d . . . . .
S1A S 0.25931(12) 0.19437(12) 0.61444(8) 0.0368(3) Uani 1 1 d . . . . .
Cl1 Cl -0.21641(16) 0.82707(16) 0.77768(10) 0.0604(4) Uani 1 1 d . . . . .
Cl1A Cl -0.28695(16) 0.22767(16) 0.60192(10) 0.0604(4) Uani 1 1 d . . . . .
Cl2 Cl -0.09895(19) 0.89871(16) 0.57383(11) 0.0682(4) Uani 1 1 d . . . . .
Cl2A Cl -0.10661(18) 0.10726(14) 0.75781(13) 0.0680(5) Uani 1 1 d . . . . .
Cl3A Cl -0.22623(18) 0.37445(14) 0.69510(14) 0.0706(5) Uani 1 1 d . . . . .
Cl3 Cl -0.2317(2) 0.7193(2) 0.62825(14) 0.0846(6) Uani 1 1 d . . . . .
O3 O 0.6233(3) 0.5812(3) 0.2947(2) 0.0426(9) Uani 1 1 d . . . . .
O1 O 0.1768(3) 0.6404(3) 0.7117(2) 0.0360(7) Uani 1 1 d . . . . .
O2 O 0.5302(3) 0.8124(4) 0.2442(2) 0.0431(9) Uani 1 1 d . . . . .
O3A O 0.1343(3) 0.3012(4) 0.5947(3) 0.0495(9) Uani 1 1 d . . . . .
O2A O 0.2532(4) 0.0726(4) 0.6430(3) 0.0493(10) Uani 1 1 d . . . . .
O1A O 0.6669(4) 0.1489(4) 0.2056(2) 0.0523(10) Uani 1 1 d . . . . .
N2A N 0.3712(4) 0.1993(4) 0.5121(3) 0.0304(8) Uani 1 1 d . . . . .
N2 N 0.4957(4) 0.7017(3) 0.4220(2) 0.0272(8) Uani 1 1 d . . . . .
C10 C 0.2384(4) 0.7082(4) 0.7038(3) 0.0258(9) Uani 1 1 d . . . . .
C9 C 0.1937(5) 0.7963(4) 0.7698(3) 0.0310(10) Uani 1 1 d . . . . .
H9A H 0.0959 0.8128 0.7967 0.037 Uiso 1 1 calc R . . . .
H9B H 0.2017 0.8746 0.7299 0.037 Uiso 1 1 calc R . . . .
C19 C 0.8531(5) 0.5866(4) 0.3795(3) 0.0323(10) Uani 1 1 d . . . . .
H19 H 0.8371 0.5129 0.3952 0.039 Uiso 1 1 calc R . . . .
C11 C 0.3656(4) 0.7059(4) 0.6255(3) 0.0252(9) Uani 1 1 d . . . . .
H11 H 0.4384 0.7081 0.6563 0.030 Uiso 1 1 calc R . . . .
C15A C 0.3865(5) 0.3213(4) 0.4657(3) 0.0335(10) Uani 1 1 d . . . . .
H15C H 0.4412 0.3344 0.5048 0.040 Uiso 1 1 calc R . . . .
H15D H 0.2947 0.3879 0.4648 0.040 Uiso 1 1 calc R . . . .
N1 N -0.0229(4) 0.7276(4) 1.0086(3) 0.0443(10) Uani 1 1 d . . . . .
C1A C 1.0378(4) 0.2553(4) 0.1451(3) 0.0245(8) Uani 1 1 d . . . . .
C15 C 0.5451(5) 0.5910(4) 0.5038(3) 0.0302(9) Uani 1 1 d . . . . .
H15A H 0.6214 0.5930 0.5297 0.036 Uiso 1 1 calc R . . . .
H15B H 0.5799 0.5165 0.4790 0.036 Uiso 1 1 calc R . . . .
C13A C 0.5061(5) 0.0940(4) 0.5153(3) 0.0330(10) Uani 1 1 d . . . . .
H13C H 0.4904 0.0167 0.5462 0.040 Uiso 1 1 calc R . . . .
H13D H 0.5637 0.1012 0.5558 0.040 Uiso 1 1 calc R . . . .
N1A N 1.0096(5) 0.2368(4) -0.0137(3) 0.0495(11) Uani 1 1 d . . . . .
C4A C 1.0190(4) 0.3104(4) 0.0355(3) 0.0288(9) Uani 1 1 d . . . . .
C17 C 0.7803(5) 0.8070(4) 0.3086(3) 0.0321(10) Uani 1 1 d . . . . .
H17 H 0.7149 0.8820 0.2780 0.039 Uiso 1 1 calc R . . . .
C5A C 1.0120(5) 0.4293(5) -0.0081(3) 0.0346(10) Uani 1 1 d . . . . .
H5AA H 1.0199 0.4770 0.0289 0.041 Uiso 1 1 calc R . . . .
C12 C 0.3244(4) 0.8214(4) 0.5374(3) 0.0267(9) Uani 1 1 d . . . . .
H12A H 0.2465 0.8243 0.5100 0.032 Uiso 1 1 calc R . . . .
H12B H 0.2941 0.8961 0.5614 0.032 Uiso 1 1 calc R . . . .
C1 C 0.2004(5) 0.7516(4) 0.9805(3) 0.0288(9) Uani 1 1 d . . . . .
C5 C -0.0261(5) 0.9200(5) 1.0178(3) 0.0397(11) Uani 1 1 d . . . . .
H5 H 0.0230 0.9708 1.0116 0.048 Uiso 1 1 calc R . . . .
C18 C 0.9028(5) 0.8029(5) 0.3309(4) 0.0386(11) Uani 1 1 d . . . . .
H18 H 0.9204 0.8761 0.3129 0.046 Uiso 1 1 calc R . . . .
C16 C 0.7562(4) 0.6966(4) 0.3327(3) 0.0293(9) Uani 1 1 d . . . . .
C18A C 0.4874(6) 0.1128(5) 0.8341(4) 0.0426(12) Uani 1 1 d . . . . .
H18A H 0.5494 0.0417 0.8717 0.051 Uiso 1 1 calc R . . . .
C13 C 0.4477(5) 0.8178(4) 0.4558(3) 0.0273(9) Uani 1 1 d . . . . .
H13A H 0.4196 0.8895 0.3998 0.033 Uiso 1 1 calc R . . . .
H13B H 0.5237 0.8204 0.4816 0.033 Uiso 1 1 calc R . . . .
C20 C 0.9728(5) 0.5849(5) 0.4030(3) 0.0356(10) Uani 1 1 d . . . . .
H20 H 1.0368 0.5102 0.4352 0.043 Uiso 1 1 calc R . . . .
C16A C 0.3331(5) 0.2075(4) 0.7079(3) 0.0341(10) Uani 1 1 d . . . . .
C4 C 0.0424(5) 0.8023(4) 1.0031(3) 0.0297(9) Uani 1 1 d . . . . .
C12A C 0.5814(5) 0.0920(4) 0.4106(3) 0.0335(10) Uani 1 1 d . . . . .
H12C H 0.5276 0.0769 0.3723 0.040 Uiso 1 1 calc R . . . .
H12D H 0.6724 0.0244 0.4140 0.040 Uiso 1 1 calc R . . . .
C14 C 0.4256(5) 0.5886(4) 0.5861(3) 0.0310(10) Uani 1 1 d . . . . .
H14A H 0.4584 0.5160 0.6407 0.037 Uiso 1 1 calc R . . . .
H14B H 0.3520 0.5816 0.5606 0.037 Uiso 1 1 calc R . . . .
C10A C 0.6714(4) 0.2172(4) 0.2498(3) 0.0307(10) Uani 1 1 d . . . . .
C21 C 1.0000(5) 0.6945(5) 0.3790(4) 0.0366(11) Uani 1 1 d . . . . .
C19A C 0.3047(5) 0.3235(5) 0.7218(3) 0.0356(10) Uani 1 1 d . . . . .
H19A H 0.2437 0.3949 0.6837 0.043 Uiso 1 1 calc R . . . .
C21A C 0.4599(5) 0.2276(5) 0.8498(3) 0.0362(11) Uani 1 1 d . . . . .
C9A C 0.7444(5) 0.3070(4) 0.2040(3) 0.0323(10) Uani 1 1 d . . . . .
H9AA H 0.6904 0.3838 0.2253 0.039 Uiso 1 1 calc R . . . .
H9AB H 0.7503 0.3264 0.1315 0.039 Uiso 1 1 calc R . . . .
C2 C 0.2886(5) 0.6330(5) 1.0682(3) 0.0356(11) Uani 1 1 d . . . . .
C20A C 0.3684(5) 0.3319(5) 0.7935(3) 0.0384(11) Uani 1 1 d . . . . .
H20A H 0.3487 0.4097 0.8036 0.046 Uiso 1 1 calc R . . . .
C17A C 0.4256(5) 0.1011(4) 0.7644(3) 0.0387(11) Uani 1 1 d . . . . .
H17A H 0.4453 0.0230 0.7551 0.046 Uiso 1 1 calc R . . . .
C14A C 0.4600(5) 0.3230(4) 0.3590(3) 0.0334(10) Uani 1 1 d . . . . .
H14C H 0.4745 0.4011 0.3296 0.040 Uiso 1 1 calc R . . . .
H14D H 0.4008 0.3176 0.3188 0.040 Uiso 1 1 calc R . . . .
C2A C 1.1854(5) 0.1309(4) 0.1760(3) 0.0333(10) Uani 1 1 d . . . . .
C7 C -0.2390(5) 0.8850(6) 1.0496(3) 0.0459(13) Uani 1 1 d . . . . .
H7 H -0.3360 0.9115 1.0661 0.055 Uiso 1 1 calc R . . . .
C6 C -0.1696(6) 0.9611(6) 1.0422(4) 0.0471(13) Uani 1 1 d . . . . .
H6 H -0.2191 1.0403 1.0535 0.057 Uiso 1 1 calc R . . . .
C11A C 0.6014(4) 0.2147(4) 0.3574(3) 0.0280(9) Uani 1 1 d . . . . .
H11B H 0.6619 0.2251 0.3943 0.034 Uiso 1 1 calc R . . . .
B4 B 0.2865(5) 0.7423(5) 0.8608(3) 0.0271(10) Uani 1 1 d . . . . .
B5A B 0.9891(5) 0.3513(5) 0.2243(3) 0.0265(10) Uani 1 1 d . . . . .
H5AB H 0.9370 0.4533 0.2020 0.032 Uiso 1 1 calc R . . . .
C3A C 1.2891(6) 0.0803(5) 0.0932(4) 0.0508(13) Uani 1 1 d . . . . .
H3AA H 1.2439 0.0576 0.0547 0.076 Uiso 1 1 calc GR . . . .
H3AB H 1.3654 0.0080 0.1213 0.076 Uiso 1 1 calc GR . . . .
H3AC H 1.3246 0.1426 0.0505 0.076 Uiso 1 1 calc GR . . . .
C6A C 0.9930(5) 0.4774(5) -0.1077(4) 0.0463(13) Uani 1 1 d . . . . .
H6AA H 0.9886 0.5582 -0.1393 0.056 Uiso 1 1 calc R . . . .
C8 C -0.1635(6) 0.7700(6) 1.0323(4) 0.0508(14) Uani 1 1 d . . . . .
H8 H -0.2109 0.7184 1.0372 0.061 Uiso 1 1 calc R . . . .
C3 C 0.2064(7) 0.5858(6) 1.1601(4) 0.0548(15) Uani 1 1 d . . . . .
H3A H 0.1404 0.6542 1.1876 0.082 Uiso 1 1 calc GR . . . .
H3B H 0.2688 0.5279 1.2085 0.082 Uiso 1 1 calc GR . . . .
H3C H 0.1568 0.5446 1.1439 0.082 Uiso 1 1 calc GR . . . .
C22A C 0.5318(7) 0.2392(6) 0.9251(4) 0.0543(15) Uani 1 1 d . . . . .
H22D H 0.5675 0.1598 0.9715 0.081 Uiso 1 1 calc GR . . . .
H22E H 0.4655 0.2992 0.9611 0.081 Uiso 1 1 calc GR . . . .
H22F H 0.6079 0.2659 0.8906 0.081 Uiso 1 1 calc GR . . . .
B7 B 0.4411(5) 0.6070(5) 0.8813(4) 0.0313(11) Uani 1 1 d . . . . .
H7A H 0.4906 0.5503 0.8258 0.038 Uiso 1 1 calc R . . . .
B5 B 0.2906(6) 0.8484(5) 0.9224(4) 0.0347(12) Uani 1 1 d . . . . .
H5A H 0.2404 0.9498 0.8940 0.042 Uiso 1 1 calc R . . . .
B3A B 1.0248(5) 0.1132(5) 0.2022(4) 0.0276(10) Uani 1 1 d . . . . .
H3AD H 0.9969 0.0606 0.1650 0.033 Uiso 1 1 calc R . . . .
C7A C 0.9810(6) 0.4067(6) -0.1592(4) 0.0547(16) Uani 1 1 d . . . . .
H7AA H 0.9651 0.4385 -0.2262 0.066 Uiso 1 1 calc R . . . .
B3 B 0.2820(5) 0.6062(5) 0.9558(3) 0.0296(11) Uani 1 1 d . . . . .
H3 H 0.2260 0.5502 0.9499 0.035 Uiso 1 1 calc R . . . .
B8A B 0.9708(5) 0.1147(5) 0.3300(4) 0.0292(10) Uani 1 1 d . . . . .
H8AA H 0.9064 0.0618 0.3782 0.035 Uiso 1 1 calc R . . . .
C22 C 1.1306(6) 0.6913(6) 0.4053(5) 0.0549(15) Uani 1 1 d . . . . .
H22A H 1.2109 0.6405 0.3689 0.082 Uiso 1 1 calc GR . . . .
H22B H 1.1350 0.6567 0.4760 0.082 Uiso 1 1 calc GR . . . .
H22C H 1.1300 0.7744 0.3878 0.082 Uiso 1 1 calc GR . . . .
B4A B 0.8974(5) 0.2512(5) 0.2358(3) 0.0258(10) Uani 1 1 d . . . . .
C23 C -0.1326(5) 0.7783(5) 0.6676(4) 0.0441(12) Uani 1 1 d . . . . .
D23 D -0.0422 0.7108 0.6822 0.053 Uiso 1 1 calc R . . . .
B7A B 1.1505(5) 0.0391(5) 0.2889(4) 0.0332(11) Uani 1 1 d . . . . .
H7AB H 1.2037 -0.0629 0.3091 0.040 Uiso 1 1 calc R . . . .
B6A B 1.1686(6) 0.2747(5) 0.1841(4) 0.0330(11) Uani 1 1 d . . . . .
H6AB H 1.2335 0.3265 0.1348 0.040 Uiso 1 1 calc R . . . .
C8A C 0.9925(7) 0.2875(7) -0.1110(4) 0.0625(17) Uani 1 1 d . . . . .
H8AB H 0.9882 0.2381 -0.1480 0.075 Uiso 1 1 calc R . . . .
C23A C -0.1585(6) 0.2351(5) 0.6564(4) 0.0484(13) Uani 1 1 d . . . . .
D23A D -0.0767 0.2345 0.6061 0.058 Uiso 1 1 calc R . . . .
B10A B 1.1148(6) 0.2776(5) 0.3111(4) 0.0344(12) Uani 1 1 d . . . . .
H10A H 1.1441 0.3315 0.3461 0.041 Uiso 1 1 calc R . . . .
B11 B 0.4396(6) 0.5389(6) 1.0111(4) 0.0378(12) Uani 1 1 d . . . . .
H11A H 0.4874 0.4375 1.0411 0.045 Uiso 1 1 calc R . . . .
B9A B 0.9482(6) 0.2620(5) 0.3440(4) 0.0316(11) Uani 1 1 d . . . . .
H9AC H 0.8692 0.3056 0.4011 0.038 Uiso 1 1 calc R . . . .
B12A B 1.1033(6) 0.1305(5) 0.3770(4) 0.0343(12) Uani 1 1 d . . . . .
H12E H 1.1250 0.0883 0.4554 0.041 Uiso 1 1 calc R . . . .
B11A B 1.2373(6) 0.1394(5) 0.2782(4) 0.0363(12) Uani 1 1 d . . . . .
H11C H 1.3478 0.1026 0.2916 0.044 Uiso 1 1 calc R . . . .
B9 B 0.4478(6) 0.7794(6) 0.9782(5) 0.0420(14) Uani 1 1 d . . . . .
H9 H 0.5013 0.8366 0.9857 0.050 Uiso 1 1 calc R . . . .
B12 B 0.5433(6) 0.6305(6) 0.9513(5) 0.0434(14) Uani 1 1 d . . . . .
H12 H 0.6588 0.5903 0.9408 0.052 Uiso 1 1 calc R . . . .
B6 B 0.2920(6) 0.7762(6) 1.0524(4) 0.0395(13) Uani 1 1 d . . . . .
H6A H 0.2419 0.8307 1.1094 0.047 Uiso 1 1 calc R . . . .
B8 B 0.4462(6) 0.7565(6) 0.8605(4) 0.0369(12) Uani 1 1 d . . . . .
H8A H 0.4995 0.7983 0.7908 0.044 Uiso 1 1 calc R . . . .
B10 B 0.4453(6) 0.6439(6) 1.0711(4) 0.0421(14) Uani 1 1 d . . . . .
H10 H 0.4969 0.6114 1.1394 0.051 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
S1 O3 1.435(3) . ?
S1 O2 1.428(4) . ?
S1 N2 1.645(3) . ?
S1 C16 1.757(4) . ?
S1A O3A 1.424(4) . ?
S1A O2A 1.433(4) . ?
S1A N2A 1.640(4) . ?
S1A C16A 1.758(5) . ?
Cl1 C23 1.745(5) . ?
Cl1A C23A 1.751(5) . ?
Cl2 C23 1.739(5) . ?
Cl2A C23A 1.743(6) . ?
Cl3A C23A 1.752(6) . ?
Cl3 C23 1.749(5) . ?
O1 C10 1.210(5) . ?
O1A C10A 1.205(5) . ?
N2A C15A 1.483(6) . ?
N2A C13A 1.465(6) . ?
N2 C15 1.465(5) . ?
N2 C13 1.479(5) . ?
C10 C9 1.496(6) . ?
C10 C11 1.522(5) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 B4 1.603(7) . ?
C19 H19 0.9300 . ?
C19 C16 1.378(6) . ?
C19 C20 1.369(6) . ?
C11 H11 0.9800 . ?
C11 C12 1.538(6) . ?
C11 C14 1.525(6) . ?
C15A H15C 0.9700 . ?
C15A H15D 0.9700 . ?
C15A C14A 1.524(6) . ?
N1 C4 1.324(6) . ?
N1 C8 1.347(6) . ?
C1A C4A 1.507(6) . ?
C1A C2A 1.689(6) . ?
C1A B5A 1.711(6) . ?
C1A B3A 1.711(6) . ?
C1A B4A 1.722(6) . ?
C1A B6A 1.723(6) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C14 1.503(6) . ?
C13A H13C 0.9700 . ?
C13A H13D 0.9700 . ?
C13A C12A 1.509(6) . ?
N1A C4A 1.338(6) . ?
N1A C8A 1.341(7) . ?
C4A C5A 1.361(6) . ?
C17 H17 0.9300 . ?
C17 C18 1.377(6) . ?
C17 C16 1.391(6) . ?
C5A H5AA 0.9300 . ?
C5A C6A 1.373(6) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C13 1.517(6) . ?
C1 C4 1.509(6) . ?
C1 C2 1.671(6) . ?
C1 B4 1.735(6) . ?
C1 B5 1.710(6) . ?
C1 B3 1.723(7) . ?
C1 B6 1.716(6) . ?
C5 H5 0.9300 . ?
C5 C4 1.369(7) . ?
C5 C6 1.375(7) . ?
C18 H18 0.9300 . ?
C18 C21 1.376(7) . ?
C18A H18A 0.9300 . ?
C18A C21A 1.381(7) . ?
C18A C17A 1.370(7) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C20 H20 0.9300 . ?
C20 C21 1.400(7) . ?
C16A C19A 1.383(6) . ?
C16A C17A 1.391(7) . ?
C12A H12C 0.9700 . ?
C12A H12D 0.9700 . ?
C12A C11A 1.522(6) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C10A C9A 1.492(6) . ?
C10A C11A 1.523(6) . ?
C21 C22 1.489(6) . ?
C19A H19A 0.9300 . ?
C19A C20A 1.388(7) . ?
C21A C20A 1.373(7) . ?
C21A C22A 1.512(7) . ?
C9A H9AA 0.9700 . ?
C9A H9AB 0.9700 . ?
C9A B4A 1.582(6) . ?
C2 C3 1.478(7) . ?
C2 B3 1.739(6) . ?
C2 B11 1.719(8) . ?
C2 B6 1.699(7) . ?
C2 B10 1.722(7) . ?
C20A H20A 0.9300 . ?
C17A H17A 0.9300 . ?
C14A H14C 0.9700 . ?
C14A H14D 0.9700 . ?
C14A C11A 1.526(6) . ?
C2A C3A 1.494(7) . ?
C2A B3A 1.734(6) . ?
C2A B7A 1.698(7) . ?
C2A B6A 1.720(7) . ?
C2A B11A 1.704(6) . ?
C7 H7 0.9300 . ?
C7 C6 1.367(8) . ?
C7 C8 1.359(8) . ?
C6 H6 0.9300 . ?
C11A H11B 0.9800 . ?
B4 B7 1.773(7) . ?
B4 B5 1.785(7) . ?
B4 B3 1.787(7) . ?
B4 B8 1.760(7) . ?
B5A H5AB 1.1000 . ?
B5A B4A 1.795(6) . ?
B5A B6A 1.770(7) . ?
B5A B10A 1.775(7) . ?
B5A B9A 1.768(7) . ?
C3A H3AA 0.9600 . ?
C3A H3AB 0.9600 . ?
C3A H3AC 0.9600 . ?
C6A H6AA 0.9300 . ?
C6A C7A 1.345(8) . ?
C8 H8 0.9300 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C22A H22D 0.9600 . ?
C22A H22E 0.9600 . ?
C22A H22F 0.9600 . ?
B7 H7A 1.1000 . ?
B7 B3 1.760(7) . ?
B7 B11 1.761(7) . ?
B7 B12 1.776(7) . ?
B7 B8 1.769(8) . ?
B5 H5A 1.1000 . ?
B5 B9 1.766(8) . ?
B5 B6 1.772(8) . ?
B5 B8 1.766(8) . ?
B3A H3AD 1.1000 . ?
B3A B8A 1.765(7) . ?
B3A B4A 1.781(7) . ?
B3A B7A 1.775(7) . ?
C7A H7AA 0.9300 . ?
C7A C8A 1.362(9) . ?
B3 H3 1.1000 . ?
B3 B11 1.767(7) . ?
B8A H8AA 1.1000 . ?
B8A B4A 1.778(7) . ?
B8A B7A 1.772(8) . ?
B8A B9A 1.775(7) . ?
B8A B12A 1.780(7) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
B4A B9A 1.791(7) . ?
C23 D23 0.9800 . ?
B7A H7AB 1.1000 . ?
B7A B12A 1.773(8) . ?
B7A B11A 1.759(7) . ?
B6A H6AB 1.1000 . ?
B6A B10A 1.757(7) . ?
B6A B11A 1.759(8) . ?
C8A H8AB 0.9300 . ?
C23A D23A 0.9800 . ?
B10A H10A 1.1000 . ?
B10A B9A 1.781(7) . ?
B10A B12A 1.780(8) . ?
B10A B11A 1.765(8) . ?
B11 H11A 1.1000 . ?
B11 B12 1.772(8) . ?
B11 B10 1.766(8) . ?
B9A H9AC 1.1000 . ?
B9A B12A 1.781(7) . ?
B12A H12E 1.1000 . ?
B12A B11A 1.751(8) . ?
B11A H11C 1.1000 . ?
B9 H9 1.1000 . ?
B9 B12 1.781(9) . ?
B9 B6 1.736(8) . ?
B9 B8 1.776(8) . ?
B9 B10 1.762(9) . ?
B12 H12 1.1000 . ?
B12 B8 1.768(8) . ?
B12 B10 1.781(9) . ?
B6 H6A 1.1000 . ?
B6 B10 1.745(9) . ?
B8 H8A 1.1000 . ?
B10 H10 1.1000 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O3 S1 N2 106.1(2) . . ?
O3 S1 C16 107.7(2) . . ?
O2 S1 O3 120.2(2) . . ?
O2 S1 N2 107.0(2) . . ?
O2 S1 C16 108.7(2) . . ?
N2 S1 C16 106.32(18) . . ?
O3A S1A O2A 119.5(2) . . ?
O3A S1A N2A 107.2(2) . . ?
O3A S1A C16A 108.5(2) . . ?
O2A S1A N2A 106.4(2) . . ?
O2A S1A C16A 107.9(2) . . ?
N2A S1A C16A 106.75(19) . . ?
C15A N2A S1A 115.3(3) . . ?
C13A N2A S1A 115.9(3) . . ?
C13A N2A C15A 112.8(3) . . ?
C15 N2 S1 115.4(3) . . ?
C15 N2 C13 111.5(3) . . ?
C13 N2 S1 116.1(3) . . ?
O1 C10 C9 121.9(4) . . ?
O1 C10 C11 120.5(4) . . ?
C9 C10 C11 117.6(4) . . ?
C10 C9 H9A 109.1 . . ?
C10 C9 H9B 109.1 . . ?
C10 C9 B4 112.3(4) . . ?
H9A C9 H9B 107.9 . . ?
B4 C9 H9A 109.1 . . ?
B4 C9 H9B 109.1 . . ?
C16 C19 H19 119.7 . . ?
C20 C19 H19 119.7 . . ?
C20 C19 C16 120.6(4) . . ?
C10 C11 H11 108.7 . . ?
C10 C11 C12 109.7(3) . . ?
C10 C11 C14 111.8(3) . . ?
C12 C11 H11 108.7 . . ?
C14 C11 H11 108.7 . . ?
C14 C11 C12 109.4(3) . . ?
N2A C15A H15C 109.8 . . ?
N2A C15A H15D 109.8 . . ?
N2A C15A C14A 109.2(4) . . ?
H15C C15A H15D 108.3 . . ?
C14A C15A H15C 109.8 . . ?
C14A C15A H15D 109.8 . . ?
C4 N1 C8 117.6(5) . . ?
C4A C1A C2A 118.2(3) . . ?
C4A C1A B5A 119.9(3) . . ?
C4A C1A B3A 119.2(3) . . ?
C4A C1A B4A 121.7(3) . . ?
C4A C1A B6A 115.8(3) . . ?
C2A C1A B5A 110.5(3) . . ?
C2A C1A B3A 61.3(3) . . ?
C2A C1A B4A 111.5(3) . . ?
C2A C1A B6A 60.6(3) . . ?
B5A C1A B3A 113.9(3) . . ?
B5A C1A B4A 63.1(3) . . ?
B5A C1A B6A 62.0(3) . . ?
B3A C1A B4A 62.5(3) . . ?
B3A C1A B6A 112.9(3) . . ?
B4A C1A B6A 114.1(3) . . ?
N2 C15 H15A 109.8 . . ?
N2 C15 H15B 109.8 . . ?
N2 C15 C14 109.2(4) . . ?
H15A C15 H15B 108.3 . . ?
C14 C15 H15A 109.8 . . ?
C14 C15 H15B 109.8 . . ?
N2A C13A H13C 109.6 . . ?
N2A C13A H13D 109.6 . . ?
N2A C13A C12A 110.1(4) . . ?
H13C C13A H13D 108.1 . . ?
C12A C13A H13C 109.6 . . ?
C12A C13A H13D 109.6 . . ?
C4A N1A C8A 115.6(5) . . ?
N1A C4A C1A 116.5(4) . . ?
N1A C4A C5A 123.5(4) . . ?
C5A C4A C1A 120.0(4) . . ?
C18 C17 H17 120.7 . . ?
C18 C17 C16 118.7(4) . . ?
C16 C17 H17 120.7 . . ?
C4A C5A H5AA 120.7 . . ?
C4A C5A C6A 118.6(4) . . ?
C6A C5A H5AA 120.7 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 108.1 . . ?
C13 C12 C11 110.6(3) . . ?
C13 C12 H12A 109.5 . . ?
C13 C12 H12B 109.5 . . ?
C4 C1 C2 116.5(4) . . ?
C4 C1 B4 122.8(3) . . ?
C4 C1 B5 121.3(4) . . ?
C4 C1 B3 118.3(4) . . ?
C4 C1 B6 116.6(4) . . ?
C2 C1 B4 111.5(3) . . ?
C2 C1 B5 111.0(3) . . ?
C2 C1 B3 61.6(3) . . ?
C2 C1 B6 60.2(3) . . ?
B5 C1 B4 62.4(3) . . ?
B5 C1 B3 113.4(3) . . ?
B5 C1 B6 62.3(3) . . ?
B3 C1 B4 62.2(3) . . ?
B6 C1 B4 113.1(3) . . ?
B6 C1 B3 112.3(4) . . ?
C4 C5 H5 121.0 . . ?
C4 C5 C6 118.0(5) . . ?
C6 C5 H5 121.0 . . ?
C17 C18 H18 118.8 . . ?
C21 C18 C17 122.5(4) . . ?
C21 C18 H18 118.8 . . ?
C19 C16 S1 119.5(4) . . ?
C19 C16 C17 119.9(4) . . ?
C17 C16 S1 120.3(3) . . ?
C21A C18A H18A 119.2 . . ?
C17A C18A H18A 119.2 . . ?
C17A C18A C21A 121.6(5) . . ?
N2 C13 C12 109.0(3) . . ?
N2 C13 H13A 109.9 . . ?
N2 C13 H13B 109.9 . . ?
C12 C13 H13A 109.9 . . ?
C12 C13 H13B 109.9 . . ?
H13A C13 H13B 108.3 . . ?
C19 C20 H20 119.6 . . ?
C19 C20 C21 120.7(4) . . ?
C21 C20 H20 119.6 . . ?
C19A C16A S1A 120.2(4) . . ?
C19A C16A C17A 120.1(4) . . ?
C17A C16A S1A 119.6(4) . . ?
N1 C4 C1 117.0(4) . . ?
N1 C4 C5 123.3(4) . . ?
C5 C4 C1 119.7(4) . . ?
C13A C12A H12C 109.4 . . ?
C13A C12A H12D 109.4 . . ?
C13A C12A C11A 111.4(4) . . ?
H12C C12A H12D 108.0 . . ?
C11A C12A H12C 109.4 . . ?
C11A C12A H12D 109.4 . . ?
C11 C14 H14A 109.3 . . ?
C11 C14 H14B 109.3 . . ?
C15 C14 C11 111.5(3) . . ?
C15 C14 H14A 109.3 . . ?
C15 C14 H14B 109.3 . . ?
H14A C14 H14B 108.0 . . ?
O1A C10A C9A 122.8(4) . . ?
O1A C10A C11A 120.5(4) . . ?
C9A C10A C11A 116.7(4) . . ?
C18 C21 C20 117.7(4) . . ?
C18 C21 C22 122.2(5) . . ?
C20 C21 C22 120.1(5) . . ?
C16A C19A H19A 120.4 . . ?
C16A C19A C20A 119.1(5) . . ?
C20A C19A H19A 120.4 . . ?
C18A C21A C22A 121.0(5) . . ?
C20A C21A C18A 118.6(4) . . ?
C20A C21A C22A 120.5(5) . . ?
C10A C9A H9AA 109.4 . . ?
C10A C9A H9AB 109.4 . . ?
C10A C9A B4A 111.1(4) . . ?
H9AA C9A H9AB 108.0 . . ?
B4A C9A H9AA 109.4 . . ?
B4A C9A H9AB 109.4 . . ?
C1 C2 B3 60.7(3) . . ?
C1 C2 B11 109.2(3) . . ?
C1 C2 B6 61.2(3) . . ?
C1 C2 B10 109.9(4) . . ?
C3 C2 C1 117.8(4) . . ?
C3 C2 B3 118.5(4) . . ?
C3 C2 B11 123.6(4) . . ?
C3 C2 B6 117.3(4) . . ?
C3 C2 B10 122.1(4) . . ?
B11 C2 B3 61.4(3) . . ?
B11 C2 B10 61.7(3) . . ?
B6 C2 B3 112.3(4) . . ?
B6 C2 B11 111.5(4) . . ?
B6 C2 B10 61.3(3) . . ?
B10 C2 B3 112.3(4) . . ?
C19A C20A H20A 119.3 . . ?
C21A C20A C19A 121.3(5) . . ?
C21A C20A H20A 119.3 . . ?
C18A C17A C16A 119.3(4) . . ?
C18A C17A H17A 120.4 . . ?
C16A C17A H17A 120.4 . . ?
C15A C14A H14C 109.4 . . ?
C15A C14A H14D 109.4 . . ?
C15A C14A C11A 111.2(4) . . ?
H14C C14A H14D 108.0 . . ?
C11A C14A H14C 109.4 . . ?
C11A C14A H14D 109.4 . . ?
C1A C2A B3A 60.0(3) . . ?
C1A C2A B7A 109.6(3) . . ?
C1A C2A B6A 60.7(3) . . ?
C1A C2A B11A 109.6(3) . . ?
C3A C2A C1A 118.2(4) . . ?
C3A C2A B3A 118.8(4) . . ?
C3A C2A B7A 123.0(4) . . ?
C3A C2A B6A 116.5(4) . . ?
C3A C2A B11A 121.8(4) . . ?
B7A C2A B3A 62.3(3) . . ?
B7A C2A B6A 112.9(4) . . ?
B7A C2A B11A 62.3(3) . . ?
B6A C2A B3A 111.9(4) . . ?
B11A C2A B3A 112.8(4) . . ?
B11A C2A B6A 61.8(3) . . ?
C6 C7 H7 120.7 . . ?
C8 C7 H7 120.7 . . ?
C8 C7 C6 118.7(5) . . ?
C5 C6 H6 120.2 . . ?
C7 C6 C5 119.7(5) . . ?
C7 C6 H6 120.2 . . ?
C12A C11A C10A 112.4(4) . . ?
C12A C11A C14A 109.9(4) . . ?
C12A C11A H11B 108.1 . . ?
C10A C11A C14A 110.1(4) . . ?
C10A C11A H11B 108.1 . . ?
C14A C11A H11B 108.1 . . ?
C9 B4 C1 118.3(4) . . ?
C9 B4 B7 128.6(4) . . ?
C9 B4 B5 118.8(4) . . ?
C9 B4 B3 120.7(4) . . ?
C9 B4 B8 127.4(4) . . ?
C1 B4 B7 104.2(3) . . ?
C1 B4 B5 58.1(3) . . ?
C1 B4 B3 58.6(3) . . ?
C1 B4 B8 104.1(3) . . ?
B7 B4 B5 107.5(3) . . ?
B7 B4 B3 59.3(3) . . ?
B5 B4 B3 106.9(3) . . ?
B8 B4 B7 60.1(3) . . ?
B8 B4 B5 59.8(3) . . ?
B8 B4 B3 107.1(4) . . ?
C1A B5A H5AB 124.2 . . ?
C1A B5A B4A 58.8(2) . . ?
C1A B5A B6A 59.3(3) . . ?
C1A B5A B10A 105.5(3) . . ?
C1A B5A B9A 105.1(3) . . ?
B4A B5A H5AB 121.0 . . ?
B6A B5A H5AB 121.7 . . ?
B6A B5A B4A 108.3(3) . . ?
B6A B5A B10A 59.4(3) . . ?
B10A B5A H5AB 121.9 . . ?
B10A B5A B4A 109.0(3) . . ?
B9A B5A H5AB 122.4 . . ?
B9A B5A B4A 60.4(3) . . ?
B9A B5A B6A 107.5(4) . . ?
B9A B5A B10A 60.4(3) . . ?
C2A C3A H3AA 109.5 . . ?
C2A C3A H3AB 109.5 . . ?
C2A C3A H3AC 109.5 . . ?
H3AA C3A H3AB 109.5 . . ?
H3AA C3A H3AC 109.5 . . ?
H3AB C3A H3AC 109.5 . . ?
C5A C6A H6AA 120.3 . . ?
C7A C6A C5A 119.5(5) . . ?
C7A C6A H6AA 120.3 . . ?
N1 C8 C7 122.7(5) . . ?
N1 C8 H8 118.6 . . ?
C7 C8 H8 118.6 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C21A C22A H22D 109.5 . . ?
C21A C22A H22E 109.5 . . ?
C21A C22A H22F 109.5 . . ?
H22D C22A H22E 109.5 . . ?
H22D C22A H22F 109.5 . . ?
H22E C22A H22F 109.5 . . ?
B4 B7 H7A 121.2 . . ?
B4 B7 B12 108.5(4) . . ?
B3 B7 B4 60.7(3) . . ?
B3 B7 H7A 121.2 . . ?
B3 B7 B11 60.2(3) . . ?
B3 B7 B12 108.7(4) . . ?
B3 B7 B8 107.9(4) . . ?
B11 B7 B4 108.7(4) . . ?
B11 B7 H7A 121.6 . . ?
B11 B7 B12 60.1(3) . . ?
B11 B7 B8 107.5(4) . . ?
B12 B7 H7A 121.4 . . ?
B8 B7 B4 59.6(3) . . ?
B8 B7 H7A 122.4 . . ?
B8 B7 B12 59.8(3) . . ?
C1 B5 B4 59.5(3) . . ?
C1 B5 H5A 124.1 . . ?
C1 B5 B9 105.0(4) . . ?
C1 B5 B6 59.0(3) . . ?
C1 B5 B8 104.9(4) . . ?
B4 B5 H5A 121.2 . . ?
B9 B5 B4 108.2(4) . . ?
B9 B5 H5A 122.4 . . ?
B9 B5 B6 58.8(3) . . ?
B9 B5 B8 60.4(3) . . ?
B6 B5 B4 108.1(4) . . ?
B6 B5 H5A 122.2 . . ?
B8 B5 B4 59.4(3) . . ?
B8 B5 H5A 122.8 . . ?
B8 B5 B6 106.7(4) . . ?
C1A B3A C2A 58.7(2) . . ?
C1A B3A H3AD 124.0 . . ?
C1A B3A B8A 104.9(3) . . ?
C1A B3A B4A 59.0(3) . . ?
C1A B3A B7A 105.1(3) . . ?
C2A B3A H3AD 123.8 . . ?
C2A B3A B8A 104.8(3) . . ?
C2A B3A B4A 106.6(3) . . ?
C2A B3A B7A 57.9(3) . . ?
B8A B3A H3AD 123.1 . . ?
B8A B3A B4A 60.2(3) . . ?
B8A B3A B7A 60.1(3) . . ?
B4A B3A H3AD 121.2 . . ?
B7A B3A H3AD 122.3 . . ?
B7A B3A B4A 108.7(3) . . ?
C6A C7A H7AA 120.8 . . ?
C6A C7A C8A 118.4(5) . . ?
C8A C7A H7AA 120.8 . . ?
C1 B3 C2 57.7(3) . . ?
C1 B3 B4 59.2(3) . . ?
C1 B3 B7 105.2(3) . . ?
C1 B3 H3 124.2 . . ?
C1 B3 B11 104.7(3) . . ?
C2 B3 B4 106.0(3) . . ?
C2 B3 B7 105.5(3) . . ?
C2 B3 H3 123.7 . . ?
C2 B3 B11 58.7(3) . . ?
B4 B3 H3 121.7 . . ?
B7 B3 B4 60.0(3) . . ?
B7 B3 H3 122.7 . . ?
B7 B3 B11 59.9(3) . . ?
B11 B3 B4 107.9(4) . . ?
B11 B3 H3 122.4 . . ?
B3A B8A H8AA 121.5 . . ?
B3A B8A B4A 60.4(3) . . ?
B3A B8A B7A 60.3(3) . . ?
B3A B8A B9A 108.3(4) . . ?
B3A B8A B12A 108.3(4) . . ?
B4A B8A H8AA 120.8 . . ?
B4A B8A B12A 109.1(3) . . ?
B7A B8A H8AA 121.6 . . ?
B7A B8A B4A 109.0(4) . . ?
B7A B8A B9A 108.0(4) . . ?
B7A B8A B12A 59.9(3) . . ?
B9A B8A H8AA 121.6 . . ?
B9A B8A B4A 60.5(3) . . ?
B9A B8A B12A 60.1(3) . . ?
B12A B8A H8AA 121.4 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C1A B4A B5A 58.2(2) . . ?
C1A B4A B3A 58.5(3) . . ?
C1A B4A B8A 103.9(3) . . ?
C1A B4A B9A 103.7(3) . . ?
C9A B4A C1A 119.5(3) . . ?
C9A B4A B5A 120.6(4) . . ?
C9A B4A B3A 120.2(4) . . ?
C9A B4A B8A 127.5(4) . . ?
C9A B4A B9A 127.5(4) . . ?
B3A B4A B5A 106.7(3) . . ?
B3A B4A B9A 106.9(3) . . ?
B8A B4A B5A 106.4(3) . . ?
B8A B4A B3A 59.4(3) . . ?
B8A B4A B9A 59.6(3) . . ?
B9A B4A B5A 59.1(3) . . ?
Cl1 C23 Cl3 110.7(3) . . ?
Cl1 C23 D23 107.9 . . ?
Cl2 C23 Cl1 111.0(3) . . ?
Cl2 C23 Cl3 111.2(3) . . ?
Cl2 C23 D23 107.9 . . ?
Cl3 C23 D23 107.9 . . ?
C2A B7A B3A 59.9(3) . . ?
C2A B7A B8A 106.0(4) . . ?
C2A B7A H7AB 123.5 . . ?
C2A B7A B12A 105.7(4) . . ?
C2A B7A B11A 59.0(3) . . ?
B3A B7A H7AB 121.2 . . ?
B8A B7A B3A 59.7(3) . . ?
B8A B7A H7AB 122.3 . . ?
B8A B7A B12A 60.3(3) . . ?
B12A B7A B3A 108.1(4) . . ?
B12A B7A H7AB 122.3 . . ?
B11A B7A B3A 108.3(4) . . ?
B11A B7A B8A 107.6(4) . . ?
B11A B7A H7AB 121.9 . . ?
B11A B7A B12A 59.4(3) . . ?
C1A B6A B5A 58.6(3) . . ?
C1A B6A H6AB 123.8 . . ?
C1A B6A B10A 105.8(3) . . ?
C1A B6A B11A 105.5(4) . . ?
C2A B6A C1A 58.7(3) . . ?
C2A B6A B5A 106.3(3) . . ?
C2A B6A H6AB 123.3 . . ?
C2A B6A B10A 106.2(4) . . ?
C2A B6A B11A 58.6(3) . . ?
B5A B6A H6AB 121.7 . . ?
B10A B6A B5A 60.4(3) . . ?
B10A B6A H6AB 122.2 . . ?
B10A B6A B11A 60.3(3) . . ?
B11A B6A B5A 108.3(4) . . ?
B11A B6A H6AB 122.2 . . ?
N1A C8A C7A 124.2(5) . . ?
N1A C8A H8AB 117.9 . . ?
C7A C8A H8AB 117.9 . . ?
Cl1A C23A Cl3A 109.0(3) . . ?
Cl1A C23A D23A 108.9 . . ?
Cl2A C23A Cl1A 110.6(3) . . ?
Cl2A C23A Cl3A 110.5(3) . . ?
Cl2A C23A D23A 108.9 . . ?
Cl3A C23A D23A 108.9 . . ?
B5A B10A H10A 121.8 . . ?
B5A B10A B9A 59.6(3) . . ?
B5A B10A B12A 107.6(3) . . ?
B6A B10A B5A 60.1(3) . . ?
B6A B10A H10A 121.9 . . ?
B6A B10A B9A 107.5(3) . . ?
B6A B10A B12A 107.3(4) . . ?
B6A B10A B11A 60.0(3) . . ?
B9A B10A H10A 122.1 . . ?
B12A B10A H10A 122.2 . . ?
B12A B10A B9A 60.0(3) . . ?
B11A B10A B5A 107.8(3) . . ?
B11A B10A H10A 122.2 . . ?
B11A B10A B9A 107.2(4) . . ?
B11A B10A B12A 59.2(3) . . ?
C2 B11 B7 106.4(4) . . ?
C2 B11 B3 59.8(3) . . ?
C2 B11 H11A 123.4 . . ?
C2 B11 B12 106.4(4) . . ?
C2 B11 B10 59.2(3) . . ?
B7 B11 B3 59.9(3) . . ?
B7 B11 H11A 121.9 . . ?
B7 B11 B12 60.3(3) . . ?
B7 B11 B10 108.8(4) . . ?
B3 B11 H11A 121.1 . . ?
B3 B11 B12 108.6(4) . . ?
B12 B11 H11A 121.7 . . ?
B10 B11 B3 109.0(4) . . ?
B10 B11 H11A 121.0 . . ?
B10 B11 B12 60.5(3) . . ?
B5A B9A B8A 107.7(3) . . ?
B5A B9A B4A 60.6(3) . . ?
B5A B9A B10A 60.0(3) . . ?
B5A B9A H9AC 121.8 . . ?
B5A B9A B12A 107.9(4) . . ?
B8A B9A B4A 59.8(3) . . ?
B8A B9A B10A 107.9(4) . . ?
B8A B9A H9AC 122.0 . . ?
B8A B9A B12A 60.1(3) . . ?
B4A B9A H9AC 121.1 . . ?
B10A B9A B4A 108.9(4) . . ?
B10A B9A H9AC 121.5 . . ?
B12A B9A B4A 108.5(4) . . ?
B12A B9A B10A 60.0(3) . . ?
B12A B9A H9AC 121.7 . . ?
B8A B12A B10A 107.8(3) . . ?
B8A B12A B9A 59.8(3) . . ?
B8A B12A H12E 122.0 . . ?
B7A B12A B8A 59.8(3) . . ?
B7A B12A B10A 107.9(4) . . ?
B7A B12A B9A 107.8(3) . . ?
B7A B12A H12E 121.8 . . ?
B10A B12A B9A 60.0(3) . . ?
B10A B12A H12E 121.7 . . ?
B9A B12A H12E 121.8 . . ?
B11A B12A B8A 107.6(4) . . ?
B11A B12A B7A 59.9(3) . . ?
B11A B12A B10A 60.0(3) . . ?
B11A B12A B9A 107.8(4) . . ?
B11A B12A H12E 121.9 . . ?
C2A B11A B7A 58.7(3) . . ?
C2A B11A B6A 59.5(3) . . ?
C2A B11A B10A 106.6(4) . . ?
C2A B11A B12A 106.4(3) . . ?
C2A B11A H11C 123.6 . . ?
B7A B11A B6A 108.1(3) . . ?
B7A B11A B10A 109.3(4) . . ?
B7A B11A H11C 121.2 . . ?
B6A B11A B10A 59.8(3) . . ?
B6A B11A H11C 121.6 . . ?
B10A B11A H11C 121.4 . . ?
B12A B11A B7A 60.7(3) . . ?
B12A B11A B6A 108.5(4) . . ?
B12A B11A B10A 60.8(3) . . ?
B12A B11A H11C 121.5 . . ?
B5 B9 H9 121.1 . . ?
B5 B9 B12 108.2(4) . . ?
B5 B9 B8 59.8(3) . . ?
B12 B9 H9 121.7 . . ?
B6 B9 B5 60.8(3) . . ?
B6 B9 H9 121.6 . . ?
B6 B9 B12 108.0(4) . . ?
B6 B9 B8 107.9(4) . . ?
B6 B9 B10 59.8(3) . . ?
B8 B9 H9 122.1 . . ?
B8 B9 B12 59.6(3) . . ?
B10 B9 B5 108.9(4) . . ?
B10 B9 H9 121.4 . . ?
B10 B9 B12 60.3(3) . . ?
B10 B9 B8 107.9(4) . . ?
B7 B12 B9 107.6(4) . . ?
B7 B12 H12 121.9 . . ?
B7 B12 B10 107.5(4) . . ?
B11 B12 B7 59.5(3) . . ?
B11 B12 B9 106.6(4) . . ?
B11 B12 H12 122.6 . . ?
B11 B12 B10 59.6(3) . . ?
B9 B12 H12 122.3 . . ?
B8 B12 B7 59.9(3) . . ?
B8 B12 B11 107.0(4) . . ?
B8 B12 B9 60.0(3) . . ?
B8 B12 H12 122.0 . . ?
B8 B12 B10 107.4(4) . . ?
B10 B12 B9 59.3(3) . . ?
B10 B12 H12 122.2 . . ?
C1 B6 B5 58.7(3) . . ?
C1 B6 B9 106.0(4) . . ?
C1 B6 H6A 123.7 . . ?
C1 B6 B10 106.8(4) . . ?
C2 B6 C1 58.6(3) . . ?
C2 B6 B5 106.7(4) . . ?
C2 B6 B9 107.4(4) . . ?
C2 B6 H6A 122.6 . . ?
C2 B6 B10 60.0(3) . . ?
B5 B6 H6A 121.6 . . ?
B9 B6 B5 60.4(3) . . ?
B9 B6 H6A 121.9 . . ?
B9 B6 B10 60.8(4) . . ?
B10 B6 B5 109.4(4) . . ?
B10 B6 H6A 120.9 . . ?
B4 B8 B7 60.3(3) . . ?
B4 B8 B5 60.8(3) . . ?
B4 B8 B9 108.9(4) . . ?
B4 B8 B12 109.4(4) . . ?
B4 B8 H8A 120.7 . . ?
B7 B8 B9 108.1(4) . . ?
B7 B8 H8A 121.7 . . ?
B5 B8 B7 108.5(4) . . ?
B5 B8 B9 59.8(3) . . ?
B5 B8 B12 108.8(4) . . ?
B5 B8 H8A 121.4 . . ?
B9 B8 H8A 121.7 . . ?
B12 B8 B7 60.3(3) . . ?
B12 B8 B9 60.4(3) . . ?
B12 B8 H8A 121.0 . . ?
C2 B10 B11 59.0(3) . . ?
C2 B10 B9 105.2(4) . . ?
C2 B10 B12 105.9(4) . . ?
C2 B10 B6 58.7(3) . . ?
C2 B10 H10 123.9 . . ?
B11 B10 B12 59.9(3) . . ?
B11 B10 H10 121.8 . . ?
B9 B10 B11 107.7(4) . . ?
B9 B10 B12 60.4(3) . . ?
B9 B10 H10 122.4 . . ?
B12 B10 H10 121.9 . . ?
B6 B10 B11 107.2(4) . . ?
B6 B10 B9 59.3(3) . . ?
B6 B10 B12 107.7(4) . . ?
B6 B10 H10 122.2 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: CDCl3'
####################################################################### 
# 
# 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_7K
_database_code_depnum_ccdc_archive 'CCDC 2110467'
loop_
_audit_author_name
_audit_author_address
'Hou-ji Cao'
;Nanjing University
China
;
_audit_update_record             
;
2021-09-17 deposited with the CCDC.	2021-11-19 downloaded from the CCDC.
;
_audit_creation_date             2021-09-14
_audit_creation_method           
;
Olex2 1.5-alpha
(compiled 2021.06.18 svn.r64d69d6c for OlexSys, GUI svn.r6354)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C16 H22 B10 O'
_chemical_formula_sum            'C16 H22 B10 O'
_chemical_formula_weight         338.43
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   12.097(8)
_cell_length_b                   13.280(10)
_cell_length_c                   13.603(9)
_cell_angle_alpha                70.744(18)
_cell_angle_beta                 72.905(18)
_cell_angle_gamma                70.884(19)
_cell_volume                     1907(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1799
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      24.69
_cell_measurement_theta_min      2.17
_shelx_estimated_absorpt_T_max   0.993
_shelx_estimated_absorpt_T_min   0.991
_exptl_absorpt_coefficient_mu    0.062
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.4264
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1223 before and 0.0804 after correction.
The Ratio of minimum to maximum transmission is 0.5719.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.179
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             704
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0967
_diffrn_reflns_av_unetI/netI     0.1944
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.964
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13580
_diffrn_reflns_point_group_measured_fraction_full 0.626
_diffrn_reflns_point_group_measured_fraction_max 0.602
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.687
_diffrn_reflns_theta_min         2.011
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           40.0
_diffrn_source_power             2.0
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.248
_reflns_Friedel_fraction_full    0.267
_reflns_Friedel_fraction_max     0.239
_reflns_number_gt                4293
_reflns_number_total             10731
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2016/6 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.476
_refine_diff_density_min         -0.349
_refine_diff_density_rms         0.084
_refine_ls_abs_structure_details 
;
 Flack x determined using 671 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   1.9(10)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.987
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     973
_refine_ls_number_reflns         10731
_refine_ls_number_restraints     53
_refine_ls_R_factor_all          0.2331
_refine_ls_R_factor_gt           0.1150
_refine_ls_restrained_S_all      0.989
_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)+(0.1449P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2620
_refine_ls_wR_factor_ref         0.3313
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
2. Rigid bond restraints
 O1B, C9B, C10B, C11B, C11B, C12B
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.004
3. Uiso/Uaniso restraints and constraints
Uanis(C9A) \\sim Ueq, Uanis(C10A) \\sim Ueq, Uanis(C8B) \\sim Ueq, Uanis(C8C)
\\sim Ueq, Uanis(C10B) \\sim Ueq, Uanis(B4B) \\sim Ueq, Uanis(B12B) \\sim Ueq:
with sigma of 0.01 and sigma for terminal atoms of 0.02
4.a Secondary CH2 refined with riding coordinates:
 C9(H9B,H9C), C9A(H9AA,H9AB), C9B(H9BB,H9BC), C9C(H9CA,H9CB)
4.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7B), C8(H8), C12(H12), C13(H13), C14(H14),
 C15(H15), C16(H16), C4A(H4A), C5A(H5AA), C6A(H6AA), C7A(H7AA), C8A(H8AA),
 C12A(H12A), C13A(H13A), C14A(H14A), C15A(H15A), C16A(H16A), C4B(H4B),
 C5B(H5BA), C6B(H6BA), C7B(H7BA), C8B(H8BA), C12B(H12D), C13B(H13B), C14B(H14B),
  C15B(H15B), C16B(H16B), C4C(H4C), C5C(H5CA), C6C(H6C), C7C(H7C), C8C(H8CA),
 C12C(H12F), C13C(H13C), C14C(H14C), C15C(H15C), C16C(H16C)
4.c Boron cage BH refined with riding coordinates:
 C1(H1), B3(H3), B5(H5B), B6(H6B), B7(H7), B8(H8B), B9(H9), B10(H10), B11(H11),
  B12(H12C), C1A(H1A), B3A(H3A), B5A(H5A), B6A(H6A), B7A(H7A), B8A(H8A),
 B9A(H9A), B10A(H10A), B11A(H11A), B12A(H12B), C1B(H1B), B3B(H3B), B5B(H5BB),
 B6B(H6BB), B7B(H7BB), B8B(H8BB), B9B(H9BA), B10B(H10B), B11B(H11B), B12B(H12E),
  C1C(H1C), B3C(H3C), B5C(H5C), B6C(H6CA), B7C(H7CA), B8C(H8C), B9C(H9CC),
 B10C(H10C), B11C(H11C), B12C(H12G)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O -0.4515(8) -0.5481(8) -0.7507(7) 0.070(3) Uani 1 1 d . . . . .
C1 C -0.2750(10) -0.8568(9) -0.7285(8) 0.040(3) Uani 1 1 d . . . . .
H1 H -0.308074 -0.825957 -0.802880 0.048 Uiso 1 1 calc R U . . .
C2 C -0.1866(9) -0.9845(10) -0.6980(8) 0.038(3) Uani 1 1 d . . . . .
C3 C -0.1475(10) -1.0565(10) -0.7742(8) 0.042(3) Uani 1 1 d . . . . .
C4 C -0.2227(12) -1.1191(10) -0.7678(10) 0.058(4) Uani 1 1 d . . . . .
H4 H -0.295373 -1.116226 -0.719136 0.070 Uiso 1 1 calc R U . . .
C5 C -0.1826(13) -1.1903(12) -0.8415(11) 0.071(4) Uani 1 1 d . . . . .
H5 H -0.229743 -1.234021 -0.839852 0.085 Uiso 1 1 calc R U . . .
C6 C -0.0741(14) -1.1915(11) -0.9131(10) 0.064(4) Uani 1 1 d . . . . .
H6 H -0.048094 -1.236731 -0.959412 0.077 Uiso 1 1 calc R U . . .
C7 C -0.0049(14) -1.1267(14) -0.9163(11) 0.080(5) Uani 1 1 d . . . . .
H7B H 0.067849 -1.128279 -0.964663 0.096 Uiso 1 1 calc R U . . .
C8 C -0.0422(12) -1.0586(11) -0.8481(10) 0.063(4) Uani 1 1 d . . . . .
H8 H 0.005080 -1.013686 -0.852538 0.076 Uiso 1 1 calc R U . . .
C9 C -0.2471(11) -0.6422(10) -0.7623(10) 0.056(3) Uani 1 1 d . . . . .
H9B H -0.176731 -0.620797 -0.764768 0.067 Uiso 1 1 calc R U . . .
H9C H -0.243982 -0.644427 -0.833634 0.067 Uiso 1 1 calc R U . . .
C10 C -0.3571(11) -0.5541(9) -0.7309(9) 0.045(3) Uani 1 1 d . . . . .
C11 C -0.3507(9) -0.4793(9) -0.6727(8) 0.036(3) Uani 1 1 d . . . . .
C12 C -0.2595(10) -0.5025(9) -0.6200(9) 0.048(3) Uani 1 1 d . . . . .
H12 H -0.198369 -0.566781 -0.621416 0.058 Uiso 1 1 calc R U . . .
C13 C -0.2578(11) -0.4317(11) -0.5654(10) 0.060(4) Uani 1 1 d . . . . .
H13 H -0.197555 -0.449488 -0.528451 0.073 Uiso 1 1 calc R U . . .
C14 C -0.3454(13) -0.3358(14) -0.5663(10) 0.067(4) Uani 1 1 d . . . . .
H14 H -0.346105 -0.289303 -0.527670 0.080 Uiso 1 1 calc R U . . .
C15 C -0.4342(11) -0.3063(10) -0.6245(10) 0.057(3) Uani 1 1 d . . . . .
H15 H -0.491227 -0.239026 -0.627081 0.068 Uiso 1 1 calc R U . . .
C16 C -0.4374(10) -0.3770(10) -0.6780(10) 0.053(3) Uani 1 1 d . . . . .
H16 H -0.496009 -0.357514 -0.717240 0.064 Uiso 1 1 calc R U . . .
B3 B -0.1289(13) -0.8696(12) -0.7362(10) 0.046(3) Uani 1 1 d . . . . .
H3 H -0.066022 -0.847581 -0.811868 0.055 Uiso 1 1 calc R U . . .
B4 B -0.2404(12) -0.7653(12) -0.6843(11) 0.046(3) Uani 1 1 d . . . . .
B5 B -0.3652(12) -0.8211(12) -0.6141(10) 0.040(3) Uani 1 1 d . . . . .
H5B H -0.456765 -0.767396 -0.608859 0.048 Uiso 1 1 calc R U . . .
B6 B -0.3336(12) -0.9556(12) -0.6290(11) 0.047(4) Uani 1 1 d . . . . .
H6B H -0.402381 -0.989066 -0.635491 0.056 Uiso 1 1 calc R U . . .
B7 B -0.0846(11) -0.9856(13) -0.6289(10) 0.046(4) Uani 1 1 d . . . . .
H7 H 0.007477 -1.038175 -0.634880 0.055 Uiso 1 1 calc R U . . .
B8 B -0.1195(12) -0.8515(12) -0.6137(11) 0.045(4) Uani 1 1 d . . . . .
H8B H -0.049440 -0.819370 -0.607515 0.055 Uiso 1 1 calc R U . . .
B9 B -0.2664(12) -0.8167(12) -0.5437(10) 0.045(3) Uani 1 1 d . . . . .
H9 H -0.291141 -0.759325 -0.493539 0.054 Uiso 1 1 calc R U . . .
B10 B -0.3297(12) -0.9326(12) -0.5068(11) 0.043(3) Uani 1 1 d . . . . .
H10 H -0.396368 -0.950824 -0.432941 0.051 Uiso 1 1 calc R U . . .
B11 B -0.2146(11) -1.0407(12) -0.5613(10) 0.041(3) Uani 1 1 d . . . . .
H11 H -0.206142 -1.129161 -0.523367 0.050 Uiso 1 1 calc R U . . .
B12 B -0.1767(13) -0.9541(11) -0.5063(11) 0.044(3) Uani 1 1 d . . . . .
H12C H -0.145605 -0.987966 -0.430874 0.052 Uiso 1 1 calc R U . . .
O1A O -0.3487(8) -0.7493(10) -0.9424(7) 0.080(3) Uani 1 1 d . . . . .
C1A C -0.6594(9) -0.6085(9) -0.7984(8) 0.035(2) Uani 1 1 d . . . . .
H1A H -0.587245 -0.587357 -0.781778 0.042 Uiso 1 1 calc R U . . .
C2A C -0.8013(10) -0.5473(8) -0.7562(8) 0.034(2) Uani 1 1 d . . . . .
C3A C -0.8298(10) -0.4631(10) -0.6915(8) 0.039(3) Uani 1 1 d . . . . .
C4A C -0.9428(12) -0.3953(11) -0.6760(10) 0.062(4) Uani 1 1 d . . . . .
H4A H -0.999704 -0.400858 -0.706060 0.074 Uiso 1 1 calc R U . . .
C5A C -0.9752(12) -0.3190(12) -0.6176(11) 0.069(4) Uani 1 1 d . . . . .
H5AA H -1.051642 -0.271885 -0.609410 0.082 Uiso 1 1 calc R U . . .
C6A C -0.8870(12) -0.3155(11) -0.5705(10) 0.057(3) Uani 1 1 d . . . . .
H6AA H -0.904568 -0.264786 -0.531011 0.068 Uiso 1 1 calc R U . . .
C7A C -0.7784(13) -0.3853(12) -0.5827(11) 0.066(4) Uani 1 1 d . . . . .
H7AA H -0.722345 -0.383992 -0.549126 0.079 Uiso 1 1 calc R U . . .
C8A C -0.7473(11) -0.4587(11) -0.6435(9) 0.059(3) Uani 1 1 d . . . . .
H8AA H -0.670622 -0.505235 -0.651925 0.071 Uiso 1 1 calc R U . . .
C9A C -0.5146(9) -0.6228(9) -1.0050(8) 0.048(3) Uani 1 1 d . U . . .
H9AA H -0.533966 -0.597129 -1.074920 0.057 Uiso 1 1 calc R U . . .
H9AB H -0.486477 -0.566376 -0.996278 0.057 Uiso 1 1 calc R U . . .
C10A C -0.4164(10) -0.7233(9) -1.0022(8) 0.039(3) Uani 1 1 d . U . . .
C11A C -0.3977(10) -0.7955(9) -1.0728(8) 0.038(3) Uani 1 1 d . . . . .
C12A C -0.2956(11) -0.8867(11) -1.0746(10) 0.053(3) Uani 1 1 d . . . . .
H12A H -0.244495 -0.903182 -1.028902 0.063 Uiso 1 1 calc R U . . .
C13A C -0.2714(12) -0.9520(11) -1.1445(10) 0.065(4) Uani 1 1 d . . . . .
H13A H -0.203754 -1.010893 -1.147078 0.078 Uiso 1 1 calc R U . . .
C14A C -0.3517(14) -0.9263(12) -1.2107(10) 0.065(4) Uani 1 1 d . . . . .
H14A H -0.335257 -0.967307 -1.259372 0.078 Uiso 1 1 calc R U . . .
C15A C -0.4508(11) -0.8446(10) -1.2053(9) 0.054(3) Uani 1 1 d . . . . .
H15A H -0.504444 -0.831827 -1.247666 0.065 Uiso 1 1 calc R U . . .
C16A C -0.4748(9) -0.7795(9) -1.1388(8) 0.043(3) Uani 1 1 d . . . . .
H16A H -0.544505 -0.722712 -1.137097 0.052 Uiso 1 1 calc R U . . .
B3A B -0.7398(13) -0.5102(11) -0.8912(10) 0.045(3) Uani 1 1 d . . . . .
H3A H -0.725025 -0.428129 -0.934904 0.054 Uiso 1 1 calc R U . . .
B4A B -0.6357(12) -0.6345(11) -0.9169(10) 0.042(3) Uani 1 1 d . . . . .
B5A B -0.6388(11) -0.7427(10) -0.7954(9) 0.033(3) Uani 1 1 d . . . . .
H5A H -0.558525 -0.809373 -0.779130 0.040 Uiso 1 1 calc R U . . .
B6A B -0.7437(11) -0.6849(11) -0.6933(10) 0.041(3) Uani 1 1 d . . . . .
H6A H -0.731355 -0.713386 -0.610665 0.050 Uiso 1 1 calc R U . . .
B7A B -0.8837(13) -0.5315(12) -0.8481(11) 0.050(4) Uani 1 1 d . . . . .
H7A H -0.962522 -0.462879 -0.864326 0.060 Uiso 1 1 calc R U . . .
B8A B -0.7818(12) -0.5922(11) -0.9473(10) 0.044(3) Uani 1 1 d . . . . .
H8A H -0.794361 -0.563681 -1.029858 0.053 Uiso 1 1 calc R U . . .
B9A B -0.7205(12) -0.7348(12) -0.8897(11) 0.046(3) Uani 1 1 d . . . . .
H9A H -0.693377 -0.797655 -0.934274 0.055 Uiso 1 1 calc R U . . .
B10A B -0.7861(12) -0.7652(11) -0.7517(10) 0.045(4) Uani 1 1 d . . . . .
H10A H -0.802197 -0.846660 -0.707754 0.054 Uiso 1 1 calc R U . . .
B11A B -0.8860(11) -0.6418(12) -0.7227(11) 0.041(3) Uani 1 1 d . . . . .
H11A H -0.966450 -0.643830 -0.658569 0.050 Uiso 1 1 calc R U . . .
B12A B -0.8710(14) -0.6691(13) -0.8478(13) 0.058(4) Uani 1 1 d . . . . .
H12B H -0.943420 -0.688840 -0.865539 0.069 Uiso 1 1 calc R U . . .
O1B O -0.6192(9) -0.2613(10) -1.0474(7) 0.085(3) Uani 1 1 d . U . . .
C1B C -0.3088(10) -0.3983(11) -1.1637(11) 0.054(4) Uani 1 1 d . . . . .
H1B H -0.384353 -0.417296 -1.177146 0.065 Uiso 1 1 calc R U . . .
C2B C -0.1733(9) -0.4529(10) -1.2212(9) 0.042(3) Uani 1 1 d . . . . .
C3B C -0.1525(10) -0.5311(9) -1.2858(8) 0.036(3) Uani 1 1 d . . . . .
C4B C -0.0469(10) -0.5513(9) -1.3610(9) 0.046(3) Uani 1 1 d . . . . .
H4B H 0.008515 -0.510932 -1.375098 0.056 Uiso 1 1 calc R U . . .
C5B C -0.0236(11) -0.6290(10) -1.4141(9) 0.052(3) Uani 1 1 d . . . . .
H5BA H 0.049973 -0.643698 -1.460458 0.063 Uiso 1 1 calc R U . . .
C6B C -0.1042(13) -0.6864(11) -1.4018(9) 0.058(4) Uani 1 1 d . . . . .
H6BA H -0.085050 -0.739088 -1.439340 0.070 Uiso 1 1 calc R U . . .
C7B C -0.2164(11) -0.6657(10) -1.3324(9) 0.051(3) Uani 1 1 d . . . . .
H7BA H -0.274241 -0.700888 -1.325524 0.061 Uiso 1 1 calc R U . . .
C8B C -0.2370(9) -0.5884(8) -1.2732(8) 0.038(2) Uani 1 1 d . U . . .
H8BA H -0.308871 -0.575439 -1.224370 0.046 Uiso 1 1 calc R U . . .
C9B C -0.4581(12) -0.1804(14) -1.1475(13) 0.094(5) Uani 1 1 d . U . . .
H9BB H -0.449104 -0.108395 -1.154037 0.112 Uiso 1 1 calc R U . . .
H9BC H -0.488387 -0.174730 -1.208197 0.112 Uiso 1 1 calc R U . . .
C10B C -0.5554(14) -0.2130(15) -1.0399(14) 0.088(4) Uani 1 1 d . U . . .
C11B C -0.5811(12) -0.1637(14) -0.9485(14) 0.081(4) Uani 1 1 d . U . . .
C12B C -0.5112(13) -0.1005(15) -0.9492(15) 0.102(6) Uani 1 1 d . U . . .
H12D H -0.445300 -0.092207 -1.004607 0.123 Uiso 1 1 calc R U . . .
C13B C -0.5367(15) -0.0484(13) -0.8685(13) 0.085(5) Uani 1 1 d . . . . .
H13B H -0.488027 -0.007296 -0.867500 0.101 Uiso 1 1 calc R U . . .
C14B C -0.635(2) -0.0604(14) -0.7921(13) 0.094(6) Uani 1 1 d . . . . .
H14B H -0.654826 -0.026005 -0.737485 0.113 Uiso 1 1 calc R U . . .
C15B C -0.7087(19) -0.1217(18) -0.7914(14) 0.121(8) Uani 1 1 d . . . . .
H15B H -0.777388 -0.126810 -0.738618 0.145 Uiso 1 1 calc R U . . .
C16B C -0.6770(13) -0.1759(14) -0.8719(12) 0.079(5) Uani 1 1 d . . . . .
H16B H -0.722843 -0.220141 -0.871781 0.095 Uiso 1 1 calc R U . . .
B3B B -0.2391(13) -0.3160(13) -1.2685(14) 0.058(4) Uani 1 1 d . . . . .
H3B H -0.265587 -0.281205 -1.346116 0.070 Uiso 1 1 calc R U . . .
B4B B -0.3253(15) -0.2695(15) -1.1514(15) 0.070(5) Uani 1 1 d . U . . .
B5B B -0.3202(14) -0.3825(15) -1.0396(13) 0.062(5) Uani 1 1 d . . . . .
H5BB H -0.396135 -0.390516 -0.971557 0.075 Uiso 1 1 calc R U . . .
B6B B -0.2224(12) -0.4994(13) -1.0843(11) 0.053(4) Uani 1 1 d . . . . .
H6BB H -0.236013 -0.582385 -1.043932 0.063 Uiso 1 1 calc R U . . .
B7B B -0.0885(13) -0.3605(13) -1.2548(13) 0.056(4) Uani 1 1 d . . . . .
H7BB H -0.013753 -0.354641 -1.324136 0.067 Uiso 1 1 calc R U . . .
B8B B -0.1850(15) -0.2432(14) -1.2170(17) 0.081(6) Uani 1 1 d . . . . .
H8BB H -0.174257 -0.160277 -1.262769 0.097 Uiso 1 1 calc R U . . .
B9B B -0.2331(14) -0.2855(16) -1.0720(15) 0.074(6) Uani 1 1 d . . . . .
H9BA H -0.252448 -0.228917 -1.022012 0.089 Uiso 1 1 calc R U . . .
B10B B -0.1663(14) -0.4251(14) -1.0291(13) 0.058(4) Uani 1 1 d . . . . .
H10B H -0.142023 -0.460728 -0.950607 0.070 Uiso 1 1 calc R U . . .
B11B B -0.0742(12) -0.4728(14) -1.1416(11) 0.051(4) Uani 1 1 d . . . . .
H11B H 0.008734 -0.539354 -1.137222 0.061 Uiso 1 1 calc R U . . .
B12B B -0.0835(13) -0.3409(13) -1.1336(12) 0.053(4) Uani 1 1 d . U . . .
H12E H -0.007169 -0.320724 -1.123114 0.064 Uiso 1 1 calc R U . . .
O1C O -0.5132(8) -0.4277(8) -1.2688(8) 0.078(3) Uani 1 1 d . . . . .
C1C C -0.7165(11) -0.1248(10) -1.2590(9) 0.048(3) Uani 1 1 d . . . . .
H1C H -0.680380 -0.152998 -1.186349 0.057 Uiso 1 1 calc R U . . .
C2C C -0.8126(9) -0.0034(9) -1.2842(9) 0.038(3) Uani 1 1 d . . . . .
C3C C -0.8445(11) 0.0624(10) -1.2024(10) 0.050(3) Uani 1 1 d . . . . .
C4C C -0.9597(11) 0.1273(10) -1.1836(10) 0.053(3) Uani 1 1 d . . . . .
H4C H -1.014748 0.129663 -1.220358 0.064 Uiso 1 1 calc R U . . .
C5C C -0.9939(13) 0.1893(10) -1.1097(10) 0.062(4) Uani 1 1 d . . . . .
H5CA H -1.071277 0.233724 -1.097091 0.074 Uiso 1 1 calc R U . . .
C6C C -0.9083(16) 0.1835(13) -1.0538(12) 0.080(5) Uani 1 1 d . . . . .
H6C H -0.929642 0.222698 -1.002760 0.095 Uiso 1 1 calc R U . . .
C7C C -0.7958(15) 0.1203(13) -1.0759(12) 0.076(4) Uani 1 1 d . . . . .
H7C H -0.738191 0.118871 -1.042458 0.091 Uiso 1 1 calc R U . . .
C8C C -0.7669(11) 0.0603(11) -1.1451(10) 0.062(4) Uani 1 1 d . U . . .
H8CA H -0.689971 0.014306 -1.155277 0.074 Uiso 1 1 calc R U . . .
C9C C -0.7178(13) -0.3467(11) -1.2203(9) 0.063(4) Uani 1 1 d . . . . .
H9CA H -0.701624 -0.344504 -1.155354 0.075 Uiso 1 1 calc R U . . .
H9CB H -0.789723 -0.372128 -1.201065 0.075 Uiso 1 1 calc R U . . .
C10C C -0.6167(12) -0.4271(10) -1.2683(9) 0.052(3) Uani 1 1 d . . . . .
C11C C -0.6338(10) -0.5075(9) -1.3157(8) 0.038(3) Uani 1 1 d . . . . .
C12C C -0.5465(10) -0.5432(9) -1.3973(9) 0.049(3) Uani 1 1 d . . . . .
H12F H -0.477494 -0.518017 -1.422456 0.058 Uiso 1 1 calc R U . . .
C13C C -0.5616(11) -0.6165(11) -1.4419(9) 0.054(3) Uani 1 1 d . . . . .
H13C H -0.505692 -0.634035 -1.501326 0.065 Uiso 1 1 calc R U . . .
C14C C -0.6548(14) -0.6635(11) -1.4022(11) 0.066(4) Uani 1 1 d . . . . .
H14C H -0.660722 -0.716120 -1.430339 0.079 Uiso 1 1 calc R U . . .
C15C C -0.7413(11) -0.6303(11) -1.3179(10) 0.057(3) Uani 1 1 d . . . . .
H15C H -0.806335 -0.661252 -1.288690 0.069 Uiso 1 1 calc R U . . .
C16C C -0.7316(11) -0.5512(11) -1.2766(9) 0.057(3) Uani 1 1 d . . . . .
H16C H -0.791859 -0.527631 -1.222066 0.069 Uiso 1 1 calc R U . . .
B3C B -0.8647(12) -0.1209(11) -1.2432(11) 0.041(3) Uani 1 1 d . . . . .
H3C H -0.927464 -0.142670 -1.167361 0.050 Uiso 1 1 calc R U . . .
B4C B -0.7414(13) -0.2256(14) -1.2962(11) 0.052(4) Uani 1 1 d . . . . .
B5C B -0.6227(14) -0.1586(14) -1.3696(12) 0.056(4) Uani 1 1 d . . . . .
H5C H -0.528714 -0.206566 -1.376301 0.068 Uiso 1 1 calc R U . . .
B6C B -0.6686(14) -0.0197(13) -1.3578(12) 0.058(4) Uani 1 1 d . . . . .
H6CA H -0.604567 0.020965 -1.354122 0.070 Uiso 1 1 calc R U . . .
B7C B -0.9106(13) -0.0086(13) -1.3517(11) 0.049(4) Uani 1 1 d . . . . .
H7CA H -1.003138 0.042808 -1.347295 0.059 Uiso 1 1 calc R U . . .
B8C B -0.8677(12) -0.1513(11) -1.3603(10) 0.040(3) Uani 1 1 d . . . . .
H8C H -0.931891 -0.193608 -1.360786 0.048 Uiso 1 1 calc R U . . .
B9C B -0.7194(13) -0.1713(14) -1.4372(11) 0.056(4) Uani 1 1 d . . . . .
H9CC H -0.686651 -0.227314 -1.489617 0.068 Uiso 1 1 calc R U . . .
B10C B -0.6754(14) -0.0413(14) -1.4743(12) 0.059(4) Uani 1 1 d . . . . .
H10C H -0.616163 -0.011886 -1.549915 0.070 Uiso 1 1 calc R U . . .
B11C B -0.7898(13) 0.0515(14) -1.4202(11) 0.057(4) Uani 1 1 d . . . . .
H11C H -0.804978 0.140307 -1.459400 0.068 Uiso 1 1 calc R U . . .
B12C B -0.8232(13) -0.0450(15) -1.4685(12) 0.057(4) Uani 1 1 d . . . . .
H12G H -0.859689 -0.020976 -1.540446 0.069 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
O1 C10 1.220(13) . ?
C1 H1 1.1000 . ?
C1 C2 1.673(16) . ?
C1 B3 1.694(18) . ?
C1 B4 1.725(18) . ?
C1 B5 1.728(16) . ?
C1 B6 1.711(18) . ?
C2 C3 1.511(15) . ?
C2 B3 1.745(19) . ?
C2 B6 1.732(17) . ?
C2 B7 1.751(16) . ?
C2 B11 1.735(17) . ?
C3 C4 1.389(15) . ?
C3 C8 1.370(16) . ?
C4 H4 0.9300 . ?
C4 C5 1.473(16) . ?
C5 H5 0.9300 . ?
C5 C6 1.385(19) . ?
C6 H6 0.9300 . ?
C6 C7 1.367(18) . ?
C7 H7B 0.9300 . ?
C7 C8 1.386(16) . ?
C8 H8 0.9300 . ?
C9 H9B 0.9700 . ?
C9 H9C 0.9700 . ?
C9 C10 1.516(16) . ?
C9 B4 1.621(18) . ?
C10 C11 1.492(15) . ?
C11 C12 1.386(14) . ?
C11 C16 1.413(15) . ?
C12 H12 0.9300 . ?
C12 C13 1.385(15) . ?
C13 H13 0.9300 . ?
C13 C14 1.364(18) . ?
C14 H14 0.9300 . ?
C14 C15 1.398(18) . ?
C15 H15 0.9300 . ?
C15 C16 1.380(15) . ?
C16 H16 0.9300 . ?
B3 H3 1.1000 . ?
B3 B4 1.760(19) . ?
B3 B7 1.80(2) . ?
B3 B8 1.801(17) . ?
B4 B5 1.777(19) . ?
B4 B8 1.837(19) . ?
B4 B9 1.774(18) . ?
B5 H5B 1.1000 . ?
B5 B6 1.768(19) . ?
B5 B9 1.761(18) . ?
B5 B10 1.74(2) . ?
B6 H6B 1.1000 . ?
B6 B10 1.802(18) . ?
B6 B11 1.796(19) . ?
B7 H7 1.1000 . ?
B7 B8 1.76(2) . ?
B7 B11 1.820(19) . ?
B7 B12 1.805(18) . ?
B8 H8B 1.1000 . ?
B8 B9 1.743(19) . ?
B8 B12 1.78(2) . ?
B9 H9 1.1000 . ?
B9 B10 1.80(2) . ?
B9 B12 1.78(2) . ?
B10 H10 1.1000 . ?
B10 B11 1.826(18) . ?
B10 B12 1.780(19) . ?
B11 H11 1.1000 . ?
B11 B12 1.789(18) . ?
B12 H12C 1.1000 . ?
O1A C10A 1.214(12) . ?
C1A H1A 1.1000 . ?
C1A C2A 1.659(14) . ?
C1A B3A 1.745(16) . ?
C1A B4A 1.682(15) . ?
C1A B5A 1.706(16) . ?
C1A B6A 1.725(17) . ?
C2A C3A 1.537(14) . ?
C2A B3A 1.735(17) . ?
C2A B6A 1.744(16) . ?
C2A B7A 1.739(15) . ?
C2A B11A 1.740(16) . ?
C3A C4A 1.368(15) . ?
C3A C8A 1.368(15) . ?
C4A H4A 0.9300 . ?
C4A C5A 1.379(16) . ?
C5A H5AA 0.9300 . ?
C5A C6A 1.416(17) . ?
C6A H6AA 0.9300 . ?
C6A C7A 1.337(17) . ?
C7A H7AA 0.9300 . ?
C7A C8A 1.372(16) . ?
C8A H8AA 0.9300 . ?
C9A H9AA 0.9700 . ?
C9A H9AB 0.9700 . ?
C9A C10A 1.466(15) . ?
C9A B4A 1.613(16) . ?
C10A C11A 1.493(14) . ?
C11A C12A 1.420(15) . ?
C11A C16A 1.399(14) . ?
C12A H12A 0.9300 . ?
C12A C13A 1.399(16) . ?
C13A H13A 0.9300 . ?
C13A C14A 1.401(18) . ?
C14A H14A 0.9300 . ?
C14A C15A 1.330(17) . ?
C15A H15A 0.9300 . ?
C15A C16A 1.359(15) . ?
C16A H16A 0.9300 . ?
B3A H3A 1.1000 . ?
B3A B4A 1.787(18) . ?
B3A B7A 1.75(2) . ?
B3A B8A 1.780(18) . ?
B4A B5A 1.797(17) . ?
B4A B8A 1.799(18) . ?
B4A B9A 1.819(19) . ?
B5A H5A 1.1000 . ?
B5A B6A 1.777(16) . ?
B5A B9A 1.794(17) . ?
B5A B10A 1.795(17) . ?
B6A H6A 1.1000 . ?
B6A B10A 1.785(17) . ?
B6A B11A 1.750(17) . ?
B7A H7A 1.1000 . ?
B7A B8A 1.754(19) . ?
B7A B11A 1.85(2) . ?
B7A B12A 1.78(2) . ?
B8A H8A 1.1000 . ?
B8A B9A 1.787(19) . ?
B8A B12A 1.73(2) . ?
B9A H9A 1.1000 . ?
B9A B10A 1.775(18) . ?
B9A B12A 1.75(2) . ?
B10A H10A 1.1000 . ?
B10A B11A 1.775(18) . ?
B10A B12A 1.80(2) . ?
B11A H11A 1.1000 . ?
B11A B12A 1.801(18) . ?
B12A H12B 1.1000 . ?
O1B C10B 1.196(16) . ?
C1B H1B 1.1000 . ?
C1B C2B 1.633(15) . ?
C1B B3B 1.68(2) . ?
C1B B4B 1.72(2) . ?
C1B B5B 1.730(18) . ?
C1B B6B 1.69(2) . ?
C2B C3B 1.489(15) . ?
C2B B3B 1.713(19) . ?
C2B B6B 1.742(18) . ?
C2B B7B 1.716(18) . ?
C2B B11B 1.745(16) . ?
C3B C4B 1.392(14) . ?
C3B C8B 1.404(14) . ?
C4B H4B 0.9300 . ?
C4B C5B 1.360(15) . ?
C5B H5BA 0.9300 . ?
C5B C6B 1.366(17) . ?
C6B H6BA 0.9300 . ?
C6B C7B 1.407(17) . ?
C7B H7BA 0.9300 . ?
C7B C8B 1.422(14) . ?
C8B H8BA 0.9300 . ?
C9B H9BB 0.9700 . ?
C9B H9BC 0.9700 . ?
C9B C10B 1.62(2) . ?
C9B B4B 1.65(2) . ?
C10B C11B 1.499(19) . ?
C11B C12B 1.37(2) . ?
C11B C16B 1.33(2) . ?
C12B H12D 0.9300 . ?
C12B C13B 1.393(17) . ?
C13B H13B 0.9300 . ?
C13B C14B 1.35(2) . ?
C14B H14B 0.9300 . ?
C14B C15B 1.38(2) . ?
C15B H15B 0.9300 . ?
C15B C16B 1.40(2) . ?
C16B H16B 0.9300 . ?
B3B H3B 1.1000 . ?
B3B B4B 1.81(2) . ?
B3B B7B 1.77(2) . ?
B3B B8B 1.73(2) . ?
B4B B5B 1.75(3) . ?
B4B B8B 1.76(3) . ?
B4B B9B 1.69(2) . ?
B5B H5BB 1.1000 . ?
B5B B6B 1.78(2) . ?
B5B B9B 1.79(2) . ?
B5B B10B 1.80(2) . ?
B6B H6BB 1.1000 . ?
B6B B10B 1.796(19) . ?
B6B B11B 1.832(19) . ?
B7B H7BB 1.1000 . ?
B7B B8B 1.74(2) . ?
B7B B11B 1.76(2) . ?
B7B B12B 1.77(2) . ?
B8B H8BB 1.1000 . ?
B8B B9B 1.83(3) . ?
B8B B12B 1.81(2) . ?
B9B H9BA 1.1000 . ?
B9B B10B 1.74(3) . ?
B9B B12B 1.78(2) . ?
B10B H10B 1.1000 . ?
B10B B11B 1.778(19) . ?
B10B B12B 1.77(2) . ?
B11B H11B 1.1000 . ?
B11B B12B 1.76(2) . ?
B12B H12E 1.1000 . ?
O1C C10C 1.248(14) . ?
C1C H1C 1.1000 . ?
C1C C2C 1.646(16) . ?
C1C B3C 1.727(17) . ?
C1C B4C 1.714(19) . ?
C1C B5C 1.691(18) . ?
C1C B6C 1.710(19) . ?
C2C C3C 1.522(15) . ?
C2C B3C 1.735(16) . ?
C2C B6C 1.718(19) . ?
C2C B7C 1.729(16) . ?
C2C B11C 1.724(17) . ?
C3C C4C 1.378(16) . ?
C3C C8C 1.375(15) . ?
C4C H4C 0.9300 . ?
C4C C5C 1.392(16) . ?
C5C H5CA 0.9300 . ?
C5C C6C 1.424(19) . ?
C6C H6C 0.9300 . ?
C6C C7C 1.351(19) . ?
C7C H7C 0.9300 . ?
C7C C8C 1.327(16) . ?
C8C H8CA 0.9300 . ?
C9C H9CA 0.9700 . ?
C9C H9CB 0.9700 . ?
C9C C10C 1.482(16) . ?
C9C B4C 1.59(2) . ?
C10C C11C 1.509(15) . ?
C11C C12C 1.380(15) . ?
C11C C16C 1.377(17) . ?
C12C H12F 0.9300 . ?
C12C C13C 1.386(16) . ?
C13C H13C 0.9300 . ?
C13C C14C 1.354(18) . ?
C14C H14C 0.9300 . ?
C14C C15C 1.389(18) . ?
C15C H15C 0.9300 . ?
C15C C16C 1.394(16) . ?
C16C H16C 0.9300 . ?
B3C H3C 1.1000 . ?
B3C B4C 1.830(19) . ?
B3C B7C 1.79(2) . ?
B3C B8C 1.781(16) . ?
B4C B5C 1.80(2) . ?
B4C B8C 1.82(2) . ?
B4C B9C 1.78(2) . ?
B5C H5C 1.1000 . ?
B5C B6C 1.79(2) . ?
B5C B9C 1.76(2) . ?
B5C B10C 1.81(2) . ?
B6C H6CA 1.1000 . ?
B6C B10C 1.73(2) . ?
B6C B11C 1.75(2) . ?
B7C H7CA 1.1000 . ?
B7C B8C 1.83(2) . ?
B7C B11C 1.765(19) . ?
B7C B12C 1.749(19) . ?
B8C H8C 1.1000 . ?
B8C B9C 1.775(19) . ?
B8C B12C 1.76(2) . ?
B9C H9CC 1.1000 . ?
B9C B10C 1.84(2) . ?
B9C B12C 1.74(2) . ?
B10C H10C 1.1000 . ?
B10C B11C 1.69(2) . ?
B10C B12C 1.78(2) . ?
B11C H11C 1.1000 . ?
B11C B12C 1.81(2) . ?
B12C H12G 1.1000 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 H1 120.1 . . ?
C2 C1 B3 62.4(7) . . ?
C2 C1 B4 112.4(9) . . ?
C2 C1 B5 110.3(9) . . ?
C2 C1 B6 61.6(7) . . ?
B3 C1 H1 118.2 . . ?
B3 C1 B4 62.0(8) . . ?
B3 C1 B5 112.1(9) . . ?
B3 C1 B6 114.4(9) . . ?
B4 C1 H1 118.3 . . ?
B4 C1 B5 61.9(7) . . ?
B5 C1 H1 120.3 . . ?
B6 C1 H1 117.7 . . ?
B6 C1 B4 114.3(9) . . ?
B6 C1 B5 61.9(7) . . ?
C1 C2 B3 59.4(7) . . ?
C1 C2 B6 60.3(7) . . ?
C1 C2 B7 109.2(9) . . ?
C1 C2 B11 110.2(8) . . ?
C3 C2 C1 120.4(9) . . ?
C3 C2 B3 117.4(9) . . ?
C3 C2 B6 120.3(9) . . ?
C3 C2 B7 119.5(9) . . ?
C3 C2 B11 121.1(10) . . ?
B3 C2 B7 61.8(8) . . ?
B6 C2 B3 110.8(9) . . ?
B6 C2 B7 113.1(8) . . ?
B6 C2 B11 62.4(7) . . ?
B11 C2 B3 113.0(8) . . ?
B11 C2 B7 62.9(7) . . ?
C4 C3 C2 117.8(10) . . ?
C8 C3 C2 121.0(10) . . ?
C8 C3 C4 121.2(11) . . ?
C3 C4 H4 121.4 . . ?
C3 C4 C5 117.2(12) . . ?
C5 C4 H4 121.4 . . ?
C4 C5 H5 120.2 . . ?
C6 C5 C4 119.5(12) . . ?
C6 C5 H5 120.2 . . ?
C5 C6 H6 119.8 . . ?
C7 C6 C5 120.4(12) . . ?
C7 C6 H6 119.8 . . ?
C6 C7 H7B 119.7 . . ?
C6 C7 C8 120.7(13) . . ?
C8 C7 H7B 119.7 . . ?
C3 C8 C7 121.0(12) . . ?
C3 C8 H8 119.5 . . ?
C7 C8 H8 119.5 . . ?
H9B C9 H9C 107.5 . . ?
C10 C9 H9B 108.4 . . ?
C10 C9 H9C 108.4 . . ?
C10 C9 B4 115.3(10) . . ?
B4 C9 H9B 108.4 . . ?
B4 C9 H9C 108.4 . . ?
O1 C10 C9 119.0(11) . . ?
O1 C10 C11 120.7(11) . . ?
C11 C10 C9 120.2(10) . . ?
C12 C11 C10 123.0(10) . . ?
C12 C11 C16 118.9(10) . . ?
C16 C11 C10 118.0(10) . . ?
C11 C12 H12 119.4 . . ?
C13 C12 C11 121.2(11) . . ?
C13 C12 H12 119.4 . . ?
C12 C13 H13 120.3 . . ?
C14 C13 C12 119.4(11) . . ?
C14 C13 H13 120.3 . . ?
C13 C14 H14 119.6 . . ?
C13 C14 C15 120.9(13) . . ?
C15 C14 H14 119.6 . . ?
C14 C15 H15 120.0 . . ?
C16 C15 C14 120.1(13) . . ?
C16 C15 H15 120.0 . . ?
C11 C16 H16 120.3 . . ?
C15 C16 C11 119.3(11) . . ?
C15 C16 H16 120.3 . . ?
C1 B3 C2 58.2(7) . . ?
C1 B3 H3 123.2 . . ?
C1 B3 B4 59.9(8) . . ?
C1 B3 B7 106.2(10) . . ?
C1 B3 B8 106.7(9) . . ?
C2 B3 H3 123.7 . . ?
C2 B3 B4 107.3(10) . . ?
C2 B3 B7 59.2(8) . . ?
C2 B3 B8 105.0(10) . . ?
B4 B3 H3 120.0 . . ?
B4 B3 B7 109.6(9) . . ?
B4 B3 B8 62.1(7) . . ?
B7 B3 H3 122.1 . . ?
B7 B3 B8 58.5(7) . . ?
B8 B3 H3 122.7 . . ?
C1 B4 B3 58.1(8) . . ?
C1 B4 B5 59.1(7) . . ?
C1 B4 B8 103.8(9) . . ?
C1 B4 B9 104.8(10) . . ?
C9 B4 C1 116.8(10) . . ?
C9 B4 B3 114.1(10) . . ?
C9 B4 B5 125.4(10) . . ?
C9 B4 B8 126.1(11) . . ?
C9 B4 B9 132.6(11) . . ?
B3 B4 B5 106.7(10) . . ?
B3 B4 B8 60.0(7) . . ?
B3 B4 B9 106.4(10) . . ?
B5 B4 B8 105.0(10) . . ?
B9 B4 B5 59.5(8) . . ?
B9 B4 B8 57.7(7) . . ?
C1 B5 B4 59.0(7) . . ?
C1 B5 H5B 124.6 . . ?
C1 B5 B6 58.6(7) . . ?
C1 B5 B9 105.2(9) . . ?
C1 B5 B10 107.2(9) . . ?
B4 B5 H5B 120.6 . . ?
B6 B5 B4 109.1(9) . . ?
B6 B5 H5B 120.6 . . ?
B9 B5 B4 60.2(7) . . ?
B9 B5 H5B 121.6 . . ?
B9 B5 B6 110.0(10) . . ?
B10 B5 B4 111.2(9) . . ?
B10 B5 H5B 119.6 . . ?
B10 B5 B6 61.8(8) . . ?
B10 B5 B9 61.9(8) . . ?
C1 B6 C2 58.1(7) . . ?
C1 B6 B5 59.5(7) . . ?
C1 B6 H6B 123.6 . . ?
C1 B6 B10 105.3(9) . . ?
C1 B6 B11 105.7(9) . . ?
C2 B6 B5 105.8(9) . . ?
C2 B6 H6B 123.4 . . ?
C2 B6 B10 106.2(9) . . ?
C2 B6 B11 58.9(7) . . ?
B5 B6 H6B 122.6 . . ?
B5 B6 B10 58.4(7) . . ?
B5 B6 B11 107.4(9) . . ?
B10 B6 H6B 122.7 . . ?
B11 B6 H6B 121.9 . . ?
B11 B6 B10 61.0(7) . . ?
C2 B7 B3 58.9(7) . . ?
C2 B7 H7 124.2 . . ?
C2 B7 B8 106.6(9) . . ?
C2 B7 B11 58.1(7) . . ?
C2 B7 B12 104.2(9) . . ?
B3 B7 H7 121.8 . . ?
B3 B7 B11 106.8(9) . . ?
B3 B7 B12 107.3(10) . . ?
B8 B7 B3 60.9(8) . . ?
B8 B7 H7 121.2 . . ?
B8 B7 B11 107.9(9) . . ?
B8 B7 B12 60.0(8) . . ?
B11 B7 H7 122.5 . . ?
B12 B7 H7 123.1 . . ?
B12 B7 B11 59.1(7) . . ?
B3 B8 B4 57.9(7) . . ?
B3 B8 H8B 123.1 . . ?
B4 B8 H8B 122.9 . . ?
B7 B8 B3 60.6(7) . . ?
B7 B8 B4 107.8(9) . . ?
B7 B8 H8B 120.3 . . ?
B7 B8 B12 61.3(8) . . ?
B9 B8 B3 106.0(9) . . ?
B9 B8 B4 59.3(7) . . ?
B9 B8 B7 109.7(11) . . ?
B9 B8 H8B 121.8 . . ?
B9 B8 B12 60.8(8) . . ?
B12 B8 B3 108.1(10) . . ?
B12 B8 B4 107.9(10) . . ?
B12 B8 H8B 120.9 . . ?
B4 B9 H9 119.6 . . ?
B4 B9 B10 108.6(9) . . ?
B4 B9 B12 110.7(9) . . ?
B5 B9 B4 60.3(7) . . ?
B5 B9 H9 122.5 . . ?
B5 B9 B10 58.5(8) . . ?
B5 B9 B12 106.7(10) . . ?
B8 B9 B4 63.0(8) . . ?
B8 B9 B5 109.8(9) . . ?
B8 B9 H9 119.6 . . ?
B8 B9 B10 109.1(10) . . ?
B8 B9 B12 60.7(8) . . ?
B10 B9 H9 122.3 . . ?
B12 B9 H9 121.6 . . ?
B12 B9 B10 59.5(8) . . ?
B5 B10 B6 59.8(7) . . ?
B5 B10 B9 59.6(8) . . ?
B5 B10 H10 121.8 . . ?
B5 B10 B11 107.2(9) . . ?
B5 B10 B12 107.7(10) . . ?
B6 B10 H10 122.4 . . ?
B6 B10 B11 59.4(7) . . ?
B9 B10 B6 106.7(9) . . ?
B9 B10 H10 122.6 . . ?
B9 B10 B11 106.6(9) . . ?
B11 B10 H10 122.5 . . ?
B12 B10 B6 107.0(9) . . ?
B12 B10 B9 59.7(7) . . ?
B12 B10 H10 122.0 . . ?
B12 B10 B11 59.5(7) . . ?
C2 B11 B6 58.7(7) . . ?
C2 B11 B7 58.9(7) . . ?
C2 B11 B10 105.0(9) . . ?
C2 B11 H11 123.9 . . ?
C2 B11 B12 105.6(9) . . ?
B6 B11 B7 107.0(9) . . ?
B6 B11 B10 59.6(7) . . ?
B6 B11 H11 122.2 . . ?
B7 B11 B10 106.7(9) . . ?
B7 B11 H11 122.1 . . ?
B10 B11 H11 123.0 . . ?
B12 B11 B6 106.8(9) . . ?
B12 B11 B7 60.0(7) . . ?
B12 B11 B10 59.0(7) . . ?
B12 B11 H11 122.6 . . ?
B7 B12 H12C 122.3 . . ?
B8 B12 B7 58.7(8) . . ?
B8 B12 B9 58.5(8) . . ?
B8 B12 B11 108.2(9) . . ?
B8 B12 H12C 122.7 . . ?
B9 B12 B7 105.8(9) . . ?
B9 B12 B11 109.0(9) . . ?
B9 B12 H12C 122.6 . . ?
B10 B12 B7 109.3(9) . . ?
B10 B12 B8 108.2(10) . . ?
B10 B12 B9 60.7(8) . . ?
B10 B12 B11 61.6(7) . . ?
B10 B12 H12C 120.3 . . ?
B11 B12 B7 60.8(7) . . ?
B11 B12 H12C 120.4 . . ?
C2A C1A H1A 120.2 . . ?
C2A C1A B3A 61.2(7) . . ?
C2A C1A B4A 112.4(8) . . ?
C2A C1A B5A 112.7(8) . . ?
C2A C1A B6A 62.0(7) . . ?
B3A C1A H1A 117.7 . . ?
B4A C1A H1A 117.4 . . ?
B4A C1A B3A 62.8(7) . . ?
B4A C1A B5A 64.1(7) . . ?
B4A C1A B6A 115.4(9) . . ?
B5A C1A H1A 117.4 . . ?
B5A C1A B3A 115.7(8) . . ?
B5A C1A B6A 62.4(7) . . ?
B6A C1A H1A 117.6 . . ?
B6A C1A B3A 114.4(9) . . ?
C1A C2A B3A 61.9(7) . . ?
C1A C2A B6A 60.8(7) . . ?
C1A C2A B7A 109.2(8) . . ?
C1A C2A B11A 108.5(8) . . ?
C3A C2A C1A 118.9(8) . . ?
C3A C2A B3A 118.2(9) . . ?
C3A C2A B6A 116.4(8) . . ?
C3A C2A B7A 122.7(9) . . ?
C3A C2A B11A 121.4(9) . . ?
B3A C2A B6A 114.0(8) . . ?
B3A C2A B7A 60.6(8) . . ?
B3A C2A B11A 113.5(8) . . ?
B7A C2A B6A 113.2(9) . . ?
B7A C2A B11A 64.1(7) . . ?
B11A C2A B6A 60.3(7) . . ?
C4A C3A C2A 119.1(10) . . ?
C8A C3A C2A 121.7(10) . . ?
C8A C3A C4A 119.1(10) . . ?
C3A C4A H4A 118.8 . . ?
C3A C4A C5A 122.3(12) . . ?
C5A C4A H4A 118.8 . . ?
C4A C5A H5AA 121.5 . . ?
C4A C5A C6A 117.0(13) . . ?
C6A C5A H5AA 121.5 . . ?
C5A C6A H6AA 120.0 . . ?
C7A C6A C5A 119.9(13) . . ?
C7A C6A H6AA 120.0 . . ?
C6A C7A H7AA 119.0 . . ?
C6A C7A C8A 121.9(13) . . ?
C8A C7A H7AA 119.0 . . ?
C3A C8A C7A 119.6(12) . . ?
C3A C8A H8AA 120.2 . . ?
C7A C8A H8AA 120.2 . . ?
H9AA C9A H9AB 107.4 . . ?
C10A C9A H9AA 108.3 . . ?
C10A C9A H9AB 108.3 . . ?
C10A C9A B4A 116.0(9) . . ?
B4A C9A H9AA 108.3 . . ?
B4A C9A H9AB 108.3 . . ?
O1A C10A C9A 120.5(10) . . ?
O1A C10A C11A 118.8(11) . . ?
C9A C10A C11A 120.7(10) . . ?
C12A C11A C10A 119.0(10) . . ?
C16A C11A C10A 124.3(10) . . ?
C16A C11A C12A 116.7(10) . . ?
C11A C12A H12A 119.7 . . ?
C13A C12A C11A 120.5(11) . . ?
C13A C12A H12A 119.7 . . ?
C12A C13A H13A 120.9 . . ?
C12A C13A C14A 118.3(13) . . ?
C14A C13A H13A 120.9 . . ?
C13A C14A H14A 119.3 . . ?
C15A C14A C13A 121.5(12) . . ?
C15A C14A H14A 119.3 . . ?
C14A C15A H15A 119.6 . . ?
C14A C15A C16A 120.9(12) . . ?
C16A C15A H15A 119.6 . . ?
C11A C16A H16A 119.0 . . ?
C15A C16A C11A 122.0(11) . . ?
C15A C16A H16A 119.0 . . ?
C1A B3A H3A 125.8 . . ?
C1A B3A B4A 56.9(6) . . ?
C1A B3A B7A 104.7(10) . . ?
C1A B3A B8A 103.0(9) . . ?
C2A B3A C1A 56.9(6) . . ?
C2A B3A H3A 124.3 . . ?
C2A B3A B4A 104.1(9) . . ?
C2A B3A B7A 59.8(7) . . ?
C2A B3A B8A 104.7(10) . . ?
B4A B3A H3A 122.4 . . ?
B7A B3A H3A 121.4 . . ?
B7A B3A B4A 108.5(10) . . ?
B7A B3A B8A 59.6(8) . . ?
B8A B3A H3A 123.5 . . ?
B8A B3A B4A 60.6(7) . . ?
C1A B4A B3A 60.3(7) . . ?
C1A B4A B5A 58.6(7) . . ?
C1A B4A B8A 104.7(9) . . ?
C1A B4A B9A 104.1(9) . . ?
C9A B4A C1A 121.2(9) . . ?
C9A B4A B3A 117.3(10) . . ?
C9A B4A B5A 122.8(10) . . ?
C9A B4A B8A 124.1(10) . . ?
C9A B4A B9A 127.3(9) . . ?
B3A B4A B5A 109.2(9) . . ?
B3A B4A B8A 59.5(7) . . ?
B3A B4A B9A 107.5(10) . . ?
B5A B4A B8A 107.1(9) . . ?
B5A B4A B9A 59.5(7) . . ?
B8A B4A B9A 59.2(7) . . ?
C1A B5A B4A 57.3(6) . . ?
C1A B5A H5A 124.9 . . ?
C1A B5A B6A 59.3(7) . . ?
C1A B5A B9A 104.2(8) . . ?
C1A B5A B10A 105.1(8) . . ?
B4A B5A H5A 121.7 . . ?
B6A B5A B4A 107.4(9) . . ?
B6A B5A H5A 121.7 . . ?
B6A B5A B9A 107.2(9) . . ?
B6A B5A B10A 60.0(7) . . ?
B9A B5A B4A 60.9(7) . . ?
B9A B5A H5A 122.7 . . ?
B9A B5A B10A 59.3(7) . . ?
B10A B5A B4A 108.1(9) . . ?
B10A B5A H5A 122.3 . . ?
C1A B6A C2A 57.1(6) . . ?
C1A B6A B5A 58.3(6) . . ?
C1A B6A H6A 125.0 . . ?
C1A B6A B10A 104.7(9) . . ?
C1A B6A B11A 105.1(9) . . ?
C2A B6A B5A 105.4(9) . . ?
C2A B6A H6A 123.7 . . ?
C2A B6A B10A 106.0(9) . . ?
C2A B6A B11A 59.7(7) . . ?
B5A B6A H6A 121.8 . . ?
B5A B6A B10A 60.5(7) . . ?
B10A B6A H6A 122.5 . . ?
B11A B6A B5A 108.8(9) . . ?
B11A B6A H6A 121.5 . . ?
B11A B6A B10A 60.3(7) . . ?
C2A B7A B3A 59.6(7) . . ?
C2A B7A H7A 124.3 . . ?
C2A B7A B8A 105.6(9) . . ?
C2A B7A B11A 58.0(7) . . ?
C2A B7A B12A 104.2(10) . . ?
B3A B7A H7A 120.8 . . ?
B3A B7A B8A 61.0(8) . . ?
B3A B7A B11A 107.7(9) . . ?
B3A B7A B12A 107.7(10) . . ?
B8A B7A H7A 122.6 . . ?
B8A B7A B11A 106.4(10) . . ?
B8A B7A B12A 58.6(8) . . ?
B11A B7A H7A 122.6 . . ?
B12A B7A H7A 123.2 . . ?
B12A B7A B11A 59.5(8) . . ?
B3A B8A B4A 59.9(7) . . ?
B3A B8A H8A 121.5 . . ?
B3A B8A B9A 109.3(9) . . ?
B4A B8A H8A 121.7 . . ?
B7A B8A B3A 59.4(7) . . ?
B7A B8A B4A 107.9(8) . . ?
B7A B8A H8A 121.2 . . ?
B7A B8A B9A 109.5(10) . . ?
B9A B8A B4A 60.9(7) . . ?
B9A B8A H8A 120.7 . . ?
B12A B8A B3A 108.9(9) . . ?
B12A B8A B4A 108.4(10) . . ?
B12A B8A B7A 61.5(8) . . ?
B12A B8A H8A 121.1 . . ?
B12A B8A B9A 59.8(8) . . ?
B4A B9A H9A 122.4 . . ?
B5A B9A B4A 59.7(7) . . ?
B5A B9A H9A 121.5 . . ?
B8A B9A B4A 59.8(7) . . ?
B8A B9A B5A 107.8(9) . . ?
B8A B9A H9A 122.3 . . ?
B10A B9A B4A 108.1(9) . . ?
B10A B9A B5A 60.4(7) . . ?
B10A B9A B8A 108.2(9) . . ?
B10A B9A H9A 120.9 . . ?
B12A B9A B4A 106.5(10) . . ?
B12A B9A B5A 108.3(9) . . ?
B12A B9A B8A 58.5(8) . . ?
B12A B9A H9A 122.3 . . ?
B12A B9A B10A 61.1(8) . . ?
B5A B10A H10A 122.4 . . ?
B6A B10A B5A 59.5(6) . . ?
B6A B10A H10A 122.6 . . ?
B6A B10A B12A 106.6(9) . . ?
B9A B10A B5A 60.3(7) . . ?
B9A B10A B6A 107.7(9) . . ?
B9A B10A H10A 121.6 . . ?
B9A B10A B12A 58.9(8) . . ?
B11A B10A B5A 106.9(9) . . ?
B11A B10A B6A 58.9(7) . . ?
B11A B10A B9A 108.1(10) . . ?
B11A B10A H10A 121.8 . . ?
B11A B10A B12A 60.6(8) . . ?
B12A B10A B5A 106.5(10) . . ?
B12A B10A H10A 122.7 . . ?
C2A B11A B6A 60.0(6) . . ?
C2A B11A B7A 57.9(7) . . ?
C2A B11A B10A 106.7(9) . . ?
C2A B11A H11A 124.3 . . ?
C2A B11A B12A 103.4(10) . . ?
B6A B11A B7A 107.9(9) . . ?
B6A B11A B10A 60.9(7) . . ?
B6A B11A H11A 120.8 . . ?
B6A B11A B12A 107.8(10) . . ?
B7A B11A H11A 122.4 . . ?
B10A B11A B7A 107.9(9) . . ?
B10A B11A H11A 121.2 . . ?
B10A B11A B12A 60.3(8) . . ?
B12A B11A B7A 58.5(8) . . ?
B12A B11A H11A 123.5 . . ?
B7A B12A B10A 109.8(9) . . ?
B7A B12A B11A 62.0(8) . . ?
B7A B12A H12B 120.2 . . ?
B8A B12A B7A 59.9(8) . . ?
B8A B12A B9A 61.7(8) . . ?
B8A B12A B10A 109.9(10) . . ?
B8A B12A B11A 109.5(10) . . ?
B8A B12A H12B 120.4 . . ?
B9A B12A B7A 109.7(10) . . ?
B9A B12A B10A 60.0(8) . . ?
B9A B12A B11A 107.8(10) . . ?
B9A B12A H12B 121.2 . . ?
B10A B12A B11A 59.1(7) . . ?
B10A B12A H12B 121.3 . . ?
B11A B12A H12B 121.5 . . ?
C2B C1B H1B 118.7 . . ?
C2B C1B B3B 62.4(8) . . ?
C2B C1B B4B 112.8(10) . . ?
C2B C1B B5B 114.3(9) . . ?
C2B C1B B6B 63.2(7) . . ?
B3B C1B H1B 115.5 . . ?
B3B C1B B4B 64.3(9) . . ?
B3B C1B B5B 116.6(10) . . ?
B3B C1B B6B 116.7(10) . . ?
B4B C1B H1B 119.4 . . ?
B4B C1B B5B 61.0(9) . . ?
B5B C1B H1B 117.7 . . ?
B6B C1B H1B 117.4 . . ?
B6B C1B B4B 112.9(10) . . ?
B6B C1B B5B 62.8(8) . . ?
C1B C2B B3B 60.0(8) . . ?
C1B C2B B6B 60.0(8) . . ?
C1B C2B B7B 108.8(10) . . ?
C1B C2B B11B 109.3(9) . . ?
C3B C2B C1B 120.4(9) . . ?
C3B C2B B3B 119.3(10) . . ?
C3B C2B B6B 116.6(10) . . ?
C3B C2B B7B 122.2(10) . . ?
C3B C2B B11B 120.8(10) . . ?
B3B C2B B6B 112.0(10) . . ?
B3B C2B B7B 62.1(8) . . ?
B3B C2B B11B 112.2(10) . . ?
B6B C2B B11B 63.4(7) . . ?
B7B C2B B6B 113.2(10) . . ?
B7B C2B B11B 61.1(8) . . ?
C4B C3B C2B 120.8(10) . . ?
C4B C3B C8B 117.2(10) . . ?
C8B C3B C2B 122.0(10) . . ?
C3B C4B H4B 119.5 . . ?
C5B C4B C3B 121.0(11) . . ?
C5B C4B H4B 119.5 . . ?
C4B C5B H5BA 118.8 . . ?
C4B C5B C6B 122.4(11) . . ?
C6B C5B H5BA 118.8 . . ?
C5B C6B H6BA 120.0 . . ?
C5B C6B C7B 120.1(11) . . ?
C7B C6B H6BA 120.0 . . ?
C6B C7B H7BA 121.6 . . ?
C6B C7B C8B 116.9(11) . . ?
C8B C7B H7BA 121.6 . . ?
C3B C8B C7B 122.3(10) . . ?
C3B C8B H8BA 118.9 . . ?
C7B C8B H8BA 118.9 . . ?
H9BB C9B H9BC 107.7 . . ?
C10B C9B H9BB 108.8 . . ?
C10B C9B H9BC 108.8 . . ?
C10B C9B B4B 113.9(13) . . ?
B4B C9B H9BB 108.8 . . ?
B4B C9B H9BC 108.8 . . ?
O1B C10B C9B 114.5(14) . . ?
O1B C10B C11B 122.5(15) . . ?
C11B C10B C9B 121.5(15) . . ?
C12B C11B C10B 119.9(17) . . ?
C16B C11B C10B 118.8(15) . . ?
C16B C11B C12B 121.2(15) . . ?
C11B C12B H12D 119.3 . . ?
C11B C12B C13B 121.3(17) . . ?
C13B C12B H12D 119.3 . . ?
C12B C13B H13B 121.6 . . ?
C14B C13B C12B 116.8(17) . . ?
C14B C13B H13B 121.6 . . ?
C13B C14B H14B 118.6 . . ?
C13B C14B C15B 122.7(17) . . ?
C15B C14B H14B 118.6 . . ?
C14B C15B H15B 120.8 . . ?
C14B C15B C16B 118.4(17) . . ?
C16B C15B H15B 120.8 . . ?
C11B C16B C15B 119.5(17) . . ?
C11B C16B H16B 120.2 . . ?
C15B C16B H16B 120.2 . . ?
C1B B3B C2B 57.6(8) . . ?
C1B B3B H3B 123.9 . . ?
C1B B3B B4B 58.9(9) . . ?
C1B B3B B7B 104.5(11) . . ?
C1B B3B B8B 106.3(12) . . ?
C2B B3B H3B 123.5 . . ?
C2B B3B B4B 104.9(12) . . ?
C2B B3B B7B 59.0(8) . . ?
C2B B3B B8B 106.7(10) . . ?
B4B B3B H3B 123.1 . . ?
B7B B3B H3B 123.2 . . ?
B7B B3B B4B 105.9(11) . . ?
B8B B3B H3B 121.9 . . ?
B8B B3B B4B 59.6(10) . . ?
B8B B3B B7B 59.8(8) . . ?
C1B B4B B3B 56.8(8) . . ?
C1B B4B B5B 59.9(9) . . ?
C1B B4B B8B 103.2(11) . . ?
C9B B4B C1B 119.3(12) . . ?
C9B B4B B3B 123.0(13) . . ?
C9B B4B B5B 113.0(13) . . ?
C9B B4B B8B 127.8(14) . . ?
C9B B4B B9B 122.9(13) . . ?
B5B B4B B3B 109.2(12) . . ?
B5B B4B B8B 113.9(12) . . ?
B8B B4B B3B 58.0(9) . . ?
B9B B4B C1B 106.5(13) . . ?
B9B B4B B3B 109.6(12) . . ?
B9B B4B B5B 62.8(10) . . ?
B9B B4B B8B 64.1(10) . . ?
C1B B5B B4B 59.1(8) . . ?
C1B B5B H5BB 126.1 . . ?
C1B B5B B6B 57.5(7) . . ?
C1B B5B B9B 101.6(12) . . ?
C1B B5B B10B 101.8(10) . . ?
B4B B5B H5BB 123.2 . . ?
B4B B5B B6B 106.9(11) . . ?
B4B B5B B9B 57.0(10) . . ?
B4B B5B B10B 103.5(12) . . ?
B6B B5B H5BB 121.5 . . ?
B6B B5B B9B 106.3(11) . . ?
B6B B5B B10B 60.3(8) . . ?
B9B B5B H5BB 124.8 . . ?
B9B B5B B10B 57.9(9) . . ?
B10B B5B H5BB 124.6 . . ?
C1B B6B C2B 56.8(7) . . ?
C1B B6B B5B 59.7(8) . . ?
C1B B6B H6BB 125.4 . . ?
C1B B6B B10B 103.4(11) . . ?
C1B B6B B11B 102.9(11) . . ?
C2B B6B B5B 106.6(11) . . ?
C2B B6B H6BB 124.1 . . ?
C2B B6B B10B 103.9(10) . . ?
C2B B6B B11B 58.4(7) . . ?
B5B B6B H6BB 120.6 . . ?
B5B B6B B10B 60.2(8) . . ?
B5B B6B B11B 108.0(11) . . ?
B10B B6B H6BB 124.1 . . ?
B10B B6B B11B 58.7(8) . . ?
B11B B6B H6BB 123.2 . . ?
C2B B7B B3B 58.9(8) . . ?
C2B B7B H7BB 123.6 . . ?
C2B B7B B8B 105.9(11) . . ?
C2B B7B B11B 60.2(8) . . ?
C2B B7B B12B 106.3(11) . . ?
B3B B7B H7BB 122.0 . . ?
B3B B7B B12B 108.4(11) . . ?
B8B B7B B3B 59.0(8) . . ?
B8B B7B H7BB 121.4 . . ?
B8B B7B B11B 109.8(12) . . ?
B8B B7B B12B 62.0(9) . . ?
B11B B7B B3B 108.8(11) . . ?
B11B B7B H7BB 120.6 . . ?
B11B B7B B12B 59.6(8) . . ?
B12B B7B H7BB 121.5 . . ?
B3B B8B B4B 62.4(9) . . ?
B3B B8B B7B 61.3(9) . . ?
B3B B8B H8BB 120.1 . . ?
B3B B8B B9B 106.7(13) . . ?
B3B B8B B12B 108.4(11) . . ?
B4B B8B H8BB 122.8 . . ?
B4B B8B B9B 56.1(10) . . ?
B4B B8B B12B 104.4(14) . . ?
B7B B8B B4B 109.0(12) . . ?
B7B B8B H8BB 121.1 . . ?
B7B B8B B9B 106.2(12) . . ?
B7B B8B B12B 59.8(9) . . ?
B9B B8B H8BB 124.5 . . ?
B12B B8B H8BB 123.2 . . ?
B12B B8B B9B 58.4(9) . . ?
B4B B9B B5B 60.2(9) . . ?
B4B B9B B8B 59.8(10) . . ?
B4B B9B H9BA 121.5 . . ?
B4B B9B B10B 108.7(12) . . ?
B4B B9B B12B 108.9(12) . . ?
B5B B9B B8B 108.5(11) . . ?
B5B B9B H9BA 120.6 . . ?
B8B B9B H9BA 122.0 . . ?
B10B B9B B5B 61.2(10) . . ?
B10B B9B B8B 108.0(11) . . ?
B10B B9B H9BA 121.3 . . ?
B10B B9B B12B 60.4(9) . . ?
B12B B9B B5B 110.1(11) . . ?
B12B B9B B8B 60.3(9) . . ?
B12B B9B H9BA 120.7 . . ?
B5B B10B B6B 59.5(8) . . ?
B5B B10B H10B 120.4 . . ?
B6B B10B H10B 121.4 . . ?
B9B B10B B5B 60.9(10) . . ?
B9B B10B B6B 108.1(11) . . ?
B9B B10B H10B 121.4 . . ?
B9B B10B B11B 108.5(12) . . ?
B9B B10B B12B 61.0(10) . . ?
B11B B10B B5B 109.9(10) . . ?
B11B B10B B6B 61.7(7) . . ?
B11B B10B H10B 121.0 . . ?
B12B B10B B5B 110.5(12) . . ?
B12B B10B B6B 109.1(10) . . ?
B12B B10B H10B 120.8 . . ?
B12B B10B B11B 59.4(8) . . ?
C2B B11B B6B 58.2(7) . . ?
C2B B11B B7B 58.6(7) . . ?
C2B B11B B10B 104.5(9) . . ?
C2B B11B H11B 124.5 . . ?
C2B B11B B12B 105.8(11) . . ?
B6B B11B H11B 122.2 . . ?
B7B B11B B6B 106.9(10) . . ?
B7B B11B B10B 107.5(12) . . ?
B7B B11B H11B 121.9 . . ?
B10B B11B B6B 59.6(8) . . ?
B10B B11B H11B 122.7 . . ?
B12B B11B B6B 107.9(11) . . ?
B12B B11B B7B 60.5(9) . . ?
B12B B11B B10B 60.0(9) . . ?
B12B B11B H11B 121.6 . . ?
B7B B12B B8B 58.2(9) . . ?
B7B B12B B9B 107.2(11) . . ?
B7B B12B H12E 122.7 . . ?
B8B B12B H12E 122.2 . . ?
B9B B12B B8B 61.3(10) . . ?
B9B B12B H12E 121.8 . . ?
B10B B12B B7B 107.5(10) . . ?
B10B B12B B8B 107.5(11) . . ?
B10B B12B B9B 58.7(10) . . ?
B10B B12B H12E 122.0 . . ?
B11B B12B B7B 59.8(8) . . ?
B11B B12B B8B 106.9(10) . . ?
B11B B12B B9B 107.6(11) . . ?
B11B B12B B10B 60.6(8) . . ?
B11B B12B H12E 121.8 . . ?
C2C C1C H1C 119.5 . . ?
C2C C1C B3C 61.8(7) . . ?
C2C C1C B4C 115.1(9) . . ?
C2C C1C B5C 113.4(10) . . ?
C2C C1C B6C 61.5(8) . . ?
B3C C1C H1C 117.1 . . ?
B4C C1C H1C 115.5 . . ?
B4C C1C B3C 64.3(7) . . ?
B5C C1C H1C 117.2 . . ?
B5C C1C B3C 116.2(9) . . ?
B5C C1C B4C 64.0(8) . . ?
B5C C1C B6C 63.5(9) . . ?
B6C C1C H1C 117.0 . . ?
B6C C1C B3C 114.9(10) . . ?
B6C C1C B4C 117.6(10) . . ?
C1C C2C B3C 61.4(7) . . ?
C1C C2C B6C 61.0(8) . . ?
C1C C2C B7C 109.2(9) . . ?
C1C C2C B11C 108.4(9) . . ?
C3C C2C C1C 115.8(9) . . ?
C3C C2C B3C 116.1(10) . . ?
C3C C2C B6C 115.7(9) . . ?
C3C C2C B7C 125.5(10) . . ?
C3C C2C B11C 125.1(10) . . ?
B6C C2C B3C 114.1(9) . . ?
B6C C2C B7C 112.1(9) . . ?
B6C C2C B11C 61.1(8) . . ?
B7C C2C B3C 62.2(8) . . ?
B11C C2C B3C 112.9(9) . . ?
B11C C2C B7C 61.5(7) . . ?
C4C C3C C2C 117.7(10) . . ?
C8C C3C C2C 124.5(11) . . ?
C8C C3C C4C 117.8(11) . . ?
C3C C4C H4C 119.9 . . ?
C3C C4C C5C 120.1(11) . . ?
C5C C4C H4C 119.9 . . ?
C4C C5C H5CA 120.6 . . ?
C4C C5C C6C 118.9(13) . . ?
C6C C5C H5CA 120.6 . . ?
C5C C6C H6C 120.4 . . ?
C7C C6C C5C 119.1(13) . . ?
C7C C6C H6C 120.4 . . ?
C6C C7C H7C 119.8 . . ?
C8C C7C C6C 120.4(14) . . ?
C8C C7C H7C 119.8 . . ?
C3C C8C H8CA 118.3 . . ?
C7C C8C C3C 123.5(13) . . ?
C7C C8C H8CA 118.3 . . ?
H9CA C9C H9CB 107.7 . . ?
C10C C9C H9CA 108.8 . . ?
C10C C9C H9CB 108.8 . . ?
C10C C9C B4C 113.8(10) . . ?
B4C C9C H9CA 108.8 . . ?
B4C C9C H9CB 108.8 . . ?
O1C C10C C9C 117.9(12) . . ?
O1C C10C C11C 119.1(11) . . ?
C9C C10C C11C 123.0(12) . . ?
C12C C11C C10C 119.5(11) . . ?
C16C C11C C10C 122.1(10) . . ?
C16C C11C C12C 118.4(10) . . ?
C11C C12C H12F 120.0 . . ?
C11C C12C C13C 120.0(11) . . ?
C13C C12C H12F 120.0 . . ?
C12C C13C H13C 118.8 . . ?
C14C C13C C12C 122.5(11) . . ?
C14C C13C H13C 118.8 . . ?
C13C C14C H14C 121.2 . . ?
C13C C14C C15C 117.6(13) . . ?
C15C C14C H14C 121.2 . . ?
C14C C15C H15C 119.7 . . ?
C14C C15C C16C 120.6(13) . . ?
C16C C15C H15C 119.7 . . ?
C11C C16C C15C 120.7(11) . . ?
C11C C16C H16C 119.7 . . ?
C15C C16C H16C 119.7 . . ?
C1C B3C C2C 56.8(7) . . ?
C1C B3C H3C 126.5 . . ?
C1C B3C B4C 57.5(7) . . ?
C1C B3C B7C 103.0(9) . . ?
C1C B3C B8C 103.5(9) . . ?
C2C B3C H3C 123.5 . . ?
C2C B3C B4C 105.4(10) . . ?
C2C B3C B7C 58.8(7) . . ?
C2C B3C B8C 106.9(9) . . ?
B4C B3C H3C 121.8 . . ?
B7C B3C H3C 121.9 . . ?
B7C B3C B4C 108.9(10) . . ?
B8C B3C H3C 121.9 . . ?
B8C B3C B4C 60.4(8) . . ?
B8C B3C B7C 61.6(8) . . ?
C1C B4C B3C 58.2(7) . . ?
C1C B4C B5C 57.4(8) . . ?
C1C B4C B8C 102.6(10) . . ?
C1C B4C B9C 101.2(11) . . ?
C9C B4C C1C 117.5(10) . . ?
C9C B4C B3C 116.7(10) . . ?
C9C B4C B5C 122.6(12) . . ?
C9C B4C B8C 127.8(12) . . ?
C9C B4C B9C 133.7(11) . . ?
B5C B4C B3C 106.0(11) . . ?
B5C B4C B8C 106.4(11) . . ?
B8C B4C B3C 58.5(7) . . ?
B9C B4C B3C 104.5(11) . . ?
B9C B4C B5C 58.8(8) . . ?
B9C B4C B8C 59.1(8) . . ?
C1C B5C B4C 58.6(8) . . ?
C1C B5C H5C 126.5 . . ?
C1C B5C B6C 58.7(8) . . ?
C1C B5C B9C 103.0(10) . . ?
C1C B5C B10C 102.0(11) . . ?
B4C B5C H5C 120.2 . . ?
B4C B5C B10C 109.5(11) . . ?
B6C B5C B4C 109.1(10) . . ?
B6C B5C H5C 121.9 . . ?
B6C B5C B10C 57.4(9) . . ?
B9C B5C B4C 60.0(8) . . ?
B9C B5C H5C 122.2 . . ?
B9C B5C B6C 107.7(12) . . ?
B9C B5C B10C 62.0(9) . . ?
B10C B5C H5C 122.9 . . ?
C1C B6C C2C 57.4(7) . . ?
C1C B6C B5C 57.7(8) . . ?
C1C B6C H6CA 125.0 . . ?
C1C B6C B10C 104.7(11) . . ?
C1C B6C B11C 104.5(10) . . ?
C2C B6C B5C 105.3(10) . . ?
C2C B6C H6CA 123.8 . . ?
C2C B6C B10C 105.0(11) . . ?
C2C B6C B11C 59.6(8) . . ?
B5C B6C H6CA 121.5 . . ?
B10C B6C B5C 61.9(9) . . ?
B10C B6C H6CA 122.9 . . ?
B10C B6C B11C 58.1(9) . . ?
B11C B6C B5C 108.0(11) . . ?
B11C B6C H6CA 122.6 . . ?
C2C B7C B3C 59.1(7) . . ?
C2C B7C H7CA 123.8 . . ?
C2C B7C B8C 105.1(10) . . ?
C2C B7C B11C 59.1(7) . . ?
C2C B7C B12C 106.4(10) . . ?
B3C B7C H7CA 122.4 . . ?
B3C B7C B8C 59.0(7) . . ?
B8C B7C H7CA 122.7 . . ?
B11C B7C B3C 108.4(10) . . ?
B11C B7C H7CA 120.1 . . ?
B11C B7C B8C 109.1(10) . . ?
B12C B7C B3C 106.6(11) . . ?
B12C B7C H7CA 122.0 . . ?
B12C B7C B8C 59.0(9) . . ?
B12C B7C B11C 62.1(9) . . ?
B3C B8C B4C 61.2(7) . . ?
B3C B8C B7C 59.4(7) . . ?
B3C B8C H8C 121.9 . . ?
B4C B8C B7C 107.8(9) . . ?
B4C B8C H8C 121.0 . . ?
B7C B8C H8C 123.2 . . ?
B9C B8C B3C 107.0(9) . . ?
B9C B8C B4C 59.6(8) . . ?
B9C B8C B7C 105.0(10) . . ?
B9C B8C H8C 123.2 . . ?
B12C B8C B3C 106.4(9) . . ?
B12C B8C B4C 107.4(10) . . ?
B12C B8C B7C 58.3(8) . . ?
B12C B8C H8C 122.9 . . ?
B12C B8C B9C 59.0(9) . . ?
B4C B9C H9CC 120.2 . . ?
B4C B9C B10C 109.2(10) . . ?
B5C B9C B4C 61.2(9) . . ?
B5C B9C B8C 110.1(10) . . ?
B5C B9C H9CC 120.5 . . ?
B5C B9C B10C 60.3(9) . . ?
B8C B9C B4C 61.4(8) . . ?
B8C B9C H9CC 120.9 . . ?
B8C B9C B10C 108.0(11) . . ?
B10C B9C H9CC 122.0 . . ?
B12C B9C B4C 109.8(10) . . ?
B12C B9C B5C 109.1(12) . . ?
B12C B9C B8C 60.2(8) . . ?
B12C B9C H9CC 121.3 . . ?
B12C B9C B10C 59.6(9) . . ?
B5C B10C B9C 57.7(8) . . ?
B5C B10C H10C 122.9 . . ?
B6C B10C B5C 60.7(8) . . ?
B6C B10C B9C 106.9(11) . . ?
B6C B10C H10C 120.5 . . ?
B6C B10C B12C 110.0(11) . . ?
B9C B10C H10C 123.9 . . ?
B11C B10C B5C 109.7(11) . . ?
B11C B10C B6C 61.5(9) . . ?
B11C B10C B9C 108.5(11) . . ?
B11C B10C H10C 119.1 . . ?
B11C B10C B12C 62.9(9) . . ?
B12C B10C B5C 105.2(11) . . ?
B12C B10C B9C 57.4(9) . . ?
B12C B10C H10C 122.0 . . ?
C2C B11C B6C 59.3(8) . . ?
C2C B11C B7C 59.4(7) . . ?
C2C B11C H11C 124.2 . . ?
C2C B11C B12C 103.8(10) . . ?
B6C B11C B7C 109.0(11) . . ?
B6C B11C H11C 121.1 . . ?
B6C B11C B12C 107.7(12) . . ?
B7C B11C H11C 121.1 . . ?
B7C B11C B12C 58.5(8) . . ?
B10C B11C C2C 106.5(11) . . ?
B10C B11C B6C 60.4(9) . . ?
B10C B11C B7C 109.3(12) . . ?
B10C B11C H11C 120.9 . . ?
B10C B11C B12C 61.1(9) . . ?
B12C B11C H11C 123.4 . . ?
B7C B12C B8C 62.7(9) . . ?
B7C B12C B10C 105.8(10) . . ?
B7C B12C B11C 59.3(8) . . ?
B7C B12C H12G 121.5 . . ?
B8C B12C B10C 111.2(11) . . ?
B8C B12C B11C 109.8(9) . . ?
B8C B12C H12G 118.7 . . ?
B9C B12C B7C 109.9(11) . . ?
B9C B12C B8C 60.9(9) . . ?
B9C B12C B10C 62.9(9) . . ?
B9C B12C B11C 107.4(10) . . ?
B9C B12C H12G 120.2 . . ?
B10C B12C B11C 56.0(8) . . ?
B10C B12C H12G 122.2 . . ?
B11C B12C H12G 123.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C10 C11 C12 159.6(11) . . . . ?
O1 C10 C11 C16 -24.8(17) . . . . ?
C1 C2 C3 C4 -86.5(14) . . . . ?
C1 C2 C3 C8 92.6(14) . . . . ?
C1 C2 B3 B4 35.7(8) . . . . ?
C1 C2 B3 B7 138.6(9) . . . . ?
C1 C2 B3 B8 100.6(9) . . . . ?
C1 C2 B6 B5 -37.2(8) . . . . ?
C1 C2 B6 B10 -98.2(10) . . . . ?
C1 C2 B6 B11 -138.3(9) . . . . ?
C1 C2 B7 B3 -37.1(8) . . . . ?
C1 C2 B7 B8 2.4(12) . . . . ?
C1 C2 B7 B11 103.5(9) . . . . ?
C1 C2 B7 B12 64.8(11) . . . . ?
C1 C2 B11 B6 38.0(9) . . . . ?
C1 C2 B11 B7 -101.8(10) . . . . ?
C1 C2 B11 B10 -1.2(11) . . . . ?
C1 C2 B11 B12 -62.5(10) . . . . ?
C1 B3 B4 C9 -107.7(11) . . . . ?
C1 B3 B4 B5 35.1(8) . . . . ?
C1 B3 B4 B8 133.1(10) . . . . ?
C1 B3 B4 B9 97.5(10) . . . . ?
C1 B3 B7 C2 35.8(8) . . . . ?
C1 B3 B7 B8 -100.0(10) . . . . ?
C1 B3 B7 B11 1.5(12) . . . . ?
C1 B3 B7 B12 -60.7(11) . . . . ?
C1 B3 B8 B4 -41.3(9) . . . . ?
C1 B3 B8 B7 99.0(10) . . . . ?
C1 B3 B8 B9 -5.0(13) . . . . ?
C1 B3 B8 B12 58.9(12) . . . . ?
C1 B4 B5 B6 31.6(9) . . . . ?
C1 B4 B5 B9 134.2(10) . . . . ?
C1 B4 B5 B10 97.9(10) . . . . ?
C1 B4 B8 B3 39.7(9) . . . . ?
C1 B4 B8 B7 3.9(12) . . . . ?
C1 B4 B8 B9 -98.9(10) . . . . ?
C1 B4 B8 B12 -60.9(11) . . . . ?
C1 B4 B9 B5 -39.5(9) . . . . ?
C1 B4 B9 B8 97.2(10) . . . . ?
C1 B4 B9 B10 -5.2(12) . . . . ?
C1 B4 B9 B12 58.4(12) . . . . ?
C1 B5 B6 C2 36.6(8) . . . . ?
C1 B5 B6 B10 136.2(9) . . . . ?
C1 B5 B6 B11 98.3(10) . . . . ?
C1 B5 B9 B4 39.5(9) . . . . ?
C1 B5 B9 B8 -1.0(14) . . . . ?
C1 B5 B9 B10 -101.7(10) . . . . ?
C1 B5 B9 B12 -65.2(11) . . . . ?
C1 B5 B10 B6 -38.2(8) . . . . ?
C1 B5 B10 B9 98.3(10) . . . . ?
C1 B5 B10 B11 -1.1(11) . . . . ?
C1 B5 B10 B12 61.5(11) . . . . ?
C1 B6 B10 B5 38.2(8) . . . . ?
C1 B6 B10 B9 0.0(12) . . . . ?
C1 B6 B10 B11 -99.7(10) . . . . ?
C1 B6 B10 B12 -62.7(11) . . . . ?
C1 B6 B11 C2 -35.9(8) . . . . ?
C1 B6 B11 B7 -0.7(12) . . . . ?
C1 B6 B11 B10 99.1(10) . . . . ?
C1 B6 B11 B12 62.4(11) . . . . ?
C2 C1 B3 B4 -139.9(9) . . . . ?
C2 C1 B3 B7 -36.3(8) . . . . ?
C2 C1 B3 B8 -97.5(10) . . . . ?
C2 C1 B4 C9 141.1(10) . . . . ?
C2 C1 B4 B3 38.1(9) . . . . ?
C2 C1 B4 B5 -101.9(10) . . . . ?
C2 C1 B4 B8 -2.5(12) . . . . ?
C2 C1 B4 B9 -62.2(11) . . . . ?
C2 C1 B5 B4 105.2(10) . . . . ?
C2 C1 B5 B6 -39.3(9) . . . . ?
C2 C1 B5 B9 65.1(11) . . . . ?
C2 C1 B5 B10 0.4(12) . . . . ?
C2 C1 B6 B5 137.5(9) . . . . ?
C2 C1 B6 B10 99.8(9) . . . . ?
C2 C1 B6 B11 36.3(8) . . . . ?
C2 C3 C4 C5 -179.1(11) . . . . ?
C2 C3 C8 C7 178.4(13) . . . . ?
C2 B3 B4 C1 -35.0(8) . . . . ?
C2 B3 B4 C9 -142.7(10) . . . . ?
C2 B3 B4 B5 0.2(12) . . . . ?
C2 B3 B4 B8 98.1(10) . . . . ?
C2 B3 B4 B9 62.5(11) . . . . ?
C2 B3 B7 B8 -135.8(10) . . . . ?
C2 B3 B7 B11 -34.3(8) . . . . ?
C2 B3 B7 B12 -96.5(10) . . . . ?
C2 B3 B8 B4 -102.0(10) . . . . ?
C2 B3 B8 B7 38.3(9) . . . . ?
C2 B3 B8 B9 -65.7(12) . . . . ?
C2 B3 B8 B12 -1.9(12) . . . . ?
C2 B6 B10 B5 98.9(10) . . . . ?
C2 B6 B10 B9 60.6(11) . . . . ?
C2 B6 B10 B11 -39.1(9) . . . . ?
C2 B6 B10 B12 -2.1(12) . . . . ?
C2 B6 B11 B7 35.3(8) . . . . ?
C2 B6 B11 B10 135.0(10) . . . . ?
C2 B6 B11 B12 98.3(10) . . . . ?
C2 B7 B8 B3 -38.5(9) . . . . ?
C2 B7 B8 B4 -3.9(12) . . . . ?
C2 B7 B8 B9 59.2(11) . . . . ?
C2 B7 B8 B12 97.2(10) . . . . ?
C2 B7 B11 B6 -35.2(8) . . . . ?
C2 B7 B11 B10 -97.8(9) . . . . ?
C2 B7 B11 B12 -135.2(10) . . . . ?
C2 B7 B12 B8 -101.1(10) . . . . ?
C2 B7 B12 B9 -65.1(12) . . . . ?
C2 B7 B12 B10 -1.1(13) . . . . ?
C2 B7 B12 B11 38.1(9) . . . . ?
C2 B11 B12 B7 -38.8(8) . . . . ?
C2 B11 B12 B8 -2.9(12) . . . . ?
C2 B11 B12 B9 59.1(11) . . . . ?
C2 B11 B12 B10 98.4(9) . . . . ?
C3 C2 B3 C1 110.9(11) . . . . ?
C3 C2 B3 B4 146.6(10) . . . . ?
C3 C2 B3 B7 -110.5(11) . . . . ?
C3 C2 B3 B8 -148.5(10) . . . . ?
C3 C2 B6 C1 -110.0(11) . . . . ?
C3 C2 B6 B5 -147.2(10) . . . . ?
C3 C2 B6 B10 151.8(10) . . . . ?
C3 C2 B6 B11 111.7(12) . . . . ?
C3 C2 B7 B3 107.3(11) . . . . ?
C3 C2 B7 B8 146.7(10) . . . . ?
C3 C2 B7 B11 -112.2(11) . . . . ?
C3 C2 B7 B12 -150.8(10) . . . . ?
C3 C2 B11 B6 -110.4(11) . . . . ?
C3 C2 B11 B7 109.7(11) . . . . ?
C3 C2 B11 B10 -149.6(10) . . . . ?
C3 C2 B11 B12 149.0(10) . . . . ?
C3 C4 C5 C6 0(2) . . . . ?
C4 C3 C8 C7 -3(2) . . . . ?
C4 C5 C6 C7 0(2) . . . . ?
C5 C6 C7 C8 0(2) . . . . ?
C6 C7 C8 C3 2(2) . . . . ?
C8 C3 C4 C5 1.9(19) . . . . ?
C9 C10 C11 C12 -17.7(16) . . . . ?
C9 C10 C11 C16 157.9(11) . . . . ?
C9 B4 B5 C1 102.7(13) . . . . ?
C9 B4 B5 B6 134.3(12) . . . . ?
C9 B4 B5 B9 -123.1(14) . . . . ?
C9 B4 B5 B10 -159.4(11) . . . . ?
C9 B4 B8 B3 -99.4(14) . . . . ?
C9 B4 B8 B7 -135.2(12) . . . . ?
C9 B4 B8 B9 122.0(14) . . . . ?
C9 B4 B8 B12 160.1(11) . . . . ?
C9 B4 B9 B5 111.8(15) . . . . ?
C9 B4 B9 B8 -111.5(15) . . . . ?
C9 B4 B9 B10 146.1(13) . . . . ?
C9 B4 B9 B12 -150.3(13) . . . . ?
C10 C9 B4 C1 102.8(13) . . . . ?
C10 C9 B4 B3 167.9(10) . . . . ?
C10 C9 B4 B5 33.1(17) . . . . ?
C10 C9 B4 B8 -122.7(12) . . . . ?
C10 C9 B4 B9 -45.8(18) . . . . ?
C10 C11 C12 C13 -179.0(11) . . . . ?
C10 C11 C16 C15 179.6(11) . . . . ?
C11 C12 C13 C14 -2.1(19) . . . . ?
C12 C11 C16 C15 -4.6(17) . . . . ?
C12 C13 C14 C15 -2(2) . . . . ?
C13 C14 C15 C16 3.0(19) . . . . ?
C14 C15 C16 C11 0.4(18) . . . . ?
C16 C11 C12 C13 5.5(17) . . . . ?
B3 C1 C2 C3 -105.8(11) . . . . ?
B3 C1 C2 B6 144.4(9) . . . . ?
B3 C1 C2 B7 38.1(8) . . . . ?
B3 C1 C2 B11 105.5(9) . . . . ?
B3 C1 B4 C9 103.0(12) . . . . ?
B3 C1 B4 B5 -140.0(10) . . . . ?
B3 C1 B4 B8 -40.6(9) . . . . ?
B3 C1 B4 B9 -100.3(10) . . . . ?
B3 C1 B5 B4 37.7(9) . . . . ?
B3 C1 B5 B6 -106.8(10) . . . . ?
B3 C1 B5 B9 -2.4(13) . . . . ?
B3 C1 B5 B10 -67.1(12) . . . . ?
B3 C1 B6 C2 -34.5(9) . . . . ?
B3 C1 B6 B5 103.0(10) . . . . ?
B3 C1 B6 B10 65.3(11) . . . . ?
B3 C1 B6 B11 1.8(12) . . . . ?
B3 C2 C3 C4 -155.3(11) . . . . ?
B3 C2 C3 C8 23.7(16) . . . . ?
B3 C2 B6 C1 32.4(9) . . . . ?
B3 C2 B6 B5 -4.8(12) . . . . ?
B3 C2 B6 B10 -65.8(11) . . . . ?
B3 C2 B6 B11 -105.9(10) . . . . ?
B3 C2 B7 B8 39.4(9) . . . . ?
B3 C2 B7 B11 140.5(10) . . . . ?
B3 C2 B7 B12 101.9(11) . . . . ?
B3 C2 B11 B6 102.3(10) . . . . ?
B3 C2 B11 B7 -37.5(9) . . . . ?
B3 C2 B11 B10 63.2(11) . . . . ?
B3 C2 B11 B12 1.8(12) . . . . ?
B3 B4 B5 C1 -34.7(8) . . . . ?
B3 B4 B5 B6 -3.1(12) . . . . ?
B3 B4 B5 B9 99.5(10) . . . . ?
B3 B4 B5 B10 63.1(11) . . . . ?
B3 B4 B8 B7 -35.8(9) . . . . ?
B3 B4 B8 B9 -138.6(11) . . . . ?
B3 B4 B8 B12 -100.6(10) . . . . ?
B3 B4 B9 B5 -100.1(11) . . . . ?
B3 B4 B9 B8 36.7(10) . . . . ?
B3 B4 B9 B10 -65.7(12) . . . . ?
B3 B4 B9 B12 -2.1(14) . . . . ?
B3 B7 B8 B4 34.6(9) . . . . ?
B3 B7 B8 B9 97.7(10) . . . . ?
B3 B7 B8 B12 135.7(10) . . . . ?
B3 B7 B11 C2 34.7(8) . . . . ?
B3 B7 B11 B6 -0.5(12) . . . . ?
B3 B7 B11 B10 -63.1(11) . . . . ?
B3 B7 B11 B12 -100.5(10) . . . . ?
B3 B7 B12 B8 -39.8(9) . . . . ?
B3 B7 B12 B9 -3.7(13) . . . . ?
B3 B7 B12 B10 60.3(12) . . . . ?
B3 B7 B12 B11 99.5(10) . . . . ?
B3 B8 B9 B4 -35.6(9) . . . . ?
B3 B8 B9 B5 3.7(14) . . . . ?
B3 B8 B9 B10 66.1(12) . . . . ?
B3 B8 B9 B12 102.2(11) . . . . ?
B3 B8 B12 B7 39.8(8) . . . . ?
B3 B8 B12 B9 -98.5(10) . . . . ?
B3 B8 B12 B10 -62.2(11) . . . . ?
B3 B8 B12 B11 3.0(12) . . . . ?
B4 C1 C2 C3 -143.8(10) . . . . ?
B4 C1 C2 B3 -37.9(9) . . . . ?
B4 C1 C2 B6 106.5(10) . . . . ?
B4 C1 C2 B7 0.2(12) . . . . ?
B4 C1 C2 B11 67.5(11) . . . . ?
B4 C1 B3 C2 139.9(9) . . . . ?
B4 C1 B3 B7 103.6(10) . . . . ?
B4 C1 B3 B8 42.4(9) . . . . ?
B4 C1 B5 B6 -144.5(10) . . . . ?
B4 C1 B5 B9 -40.1(9) . . . . ?
B4 C1 B5 B10 -104.8(10) . . . . ?
B4 C1 B6 C2 -103.3(10) . . . . ?
B4 C1 B6 B5 34.2(9) . . . . ?
B4 C1 B6 B10 -3.5(13) . . . . ?
B4 C1 B6 B11 -67.1(11) . . . . ?
B4 C9 C10 O1 -78.0(15) . . . . ?
B4 C9 C10 C11 99.4(13) . . . . ?
B4 B3 B7 C2 99.0(11) . . . . ?
B4 B3 B7 B8 -36.8(10) . . . . ?
B4 B3 B7 B11 64.7(12) . . . . ?
B4 B3 B7 B12 2.5(13) . . . . ?
B4 B3 B8 B7 140.3(11) . . . . ?
B4 B3 B8 B9 36.3(10) . . . . ?
B4 B3 B8 B12 100.1(10) . . . . ?
B4 B5 B6 C1 -31.7(9) . . . . ?
B4 B5 B6 C2 4.8(12) . . . . ?
B4 B5 B6 B10 104.4(10) . . . . ?
B4 B5 B6 B11 66.5(11) . . . . ?
B4 B5 B9 B8 -40.5(10) . . . . ?
B4 B5 B9 B10 -141.2(10) . . . . ?
B4 B5 B9 B12 -104.7(10) . . . . ?
B4 B5 B10 B6 -100.9(10) . . . . ?
B4 B5 B10 B9 35.7(9) . . . . ?
B4 B5 B10 B11 -63.8(11) . . . . ?
B4 B5 B10 B12 -1.2(12) . . . . ?
B4 B8 B9 B5 39.3(10) . . . . ?
B4 B8 B9 B10 101.7(10) . . . . ?
B4 B8 B9 B12 137.8(10) . . . . ?
B4 B8 B12 B7 101.0(10) . . . . ?
B4 B8 B12 B9 -37.4(9) . . . . ?
B4 B8 B12 B10 -1.0(12) . . . . ?
B4 B8 B12 B11 64.1(11) . . . . ?
B4 B9 B10 B5 -35.1(9) . . . . ?
B4 B9 B10 B6 3.3(13) . . . . ?
B4 B9 B10 B11 65.5(11) . . . . ?
B4 B9 B10 B12 103.6(10) . . . . ?
B4 B9 B12 B7 3.6(13) . . . . ?
B4 B9 B12 B8 39.8(10) . . . . ?
B4 B9 B12 B10 -100.0(10) . . . . ?
B4 B9 B12 B11 -60.4(13) . . . . ?
B5 C1 C2 C3 149.2(10) . . . . ?
B5 C1 C2 B3 -105.0(10) . . . . ?
B5 C1 C2 B6 39.4(8) . . . . ?
B5 C1 C2 B7 -66.9(11) . . . . ?
B5 C1 C2 B11 0.5(12) . . . . ?
B5 C1 B3 C2 102.2(10) . . . . ?
B5 C1 B3 B4 -37.7(9) . . . . ?
B5 C1 B3 B7 65.9(12) . . . . ?
B5 C1 B3 B8 4.6(13) . . . . ?
B5 C1 B4 C9 -117.0(12) . . . . ?
B5 C1 B4 B3 140.0(10) . . . . ?
B5 C1 B4 B8 99.4(10) . . . . ?
B5 C1 B4 B9 39.7(9) . . . . ?
B5 C1 B6 C2 -137.5(9) . . . . ?
B5 C1 B6 B10 -37.7(8) . . . . ?
B5 C1 B6 B11 -101.3(10) . . . . ?
B5 B4 B8 B3 100.9(11) . . . . ?
B5 B4 B8 B7 65.1(11) . . . . ?
B5 B4 B8 B9 -37.7(9) . . . . ?
B5 B4 B8 B12 0.3(12) . . . . ?
B5 B4 B9 B8 136.7(11) . . . . ?
B5 B4 B9 B10 34.3(9) . . . . ?
B5 B4 B9 B12 97.9(11) . . . . ?
B5 B6 B10 B9 -38.2(9) . . . . ?
B5 B6 B10 B11 -137.9(10) . . . . ?
B5 B6 B10 B12 -101.0(10) . . . . ?
B5 B6 B11 C2 -98.3(10) . . . . ?
B5 B6 B11 B7 -63.0(11) . . . . ?
B5 B6 B11 B10 36.7(9) . . . . ?
B5 B6 B11 B12 0.0(12) . . . . ?
B5 B9 B10 B6 38.3(9) . . . . ?
B5 B9 B10 B11 100.6(10) . . . . ?
B5 B9 B10 B12 138.6(9) . . . . ?
B5 B9 B12 B7 67.6(12) . . . . ?
B5 B9 B12 B8 103.7(10) . . . . ?
B5 B9 B12 B10 -36.0(8) . . . . ?
B5 B9 B12 B11 3.6(12) . . . . ?
B5 B10 B11 C2 1.4(11) . . . . ?
B5 B10 B11 B6 -37.3(8) . . . . ?
B5 B10 B11 B7 62.9(10) . . . . ?
B5 B10 B11 B12 100.8(10) . . . . ?
B5 B10 B12 B7 -61.0(12) . . . . ?
B5 B10 B12 B8 1.3(12) . . . . ?
B5 B10 B12 B9 36.8(8) . . . . ?
B5 B10 B12 B11 -99.9(10) . . . . ?
B6 C1 C2 C3 109.8(11) . . . . ?
B6 C1 C2 B3 -144.4(9) . . . . ?
B6 C1 C2 B7 -106.3(9) . . . . ?
B6 C1 C2 B11 -38.9(9) . . . . ?
B6 C1 B3 C2 34.2(9) . . . . ?
B6 C1 B3 B4 -105.7(10) . . . . ?
B6 C1 B3 B7 -2.1(12) . . . . ?
B6 C1 B3 B8 -63.3(12) . . . . ?
B6 C1 B4 C9 -151.2(11) . . . . ?
B6 C1 B4 B3 105.8(11) . . . . ?
B6 C1 B4 B5 -34.2(9) . . . . ?
B6 C1 B4 B8 65.2(12) . . . . ?
B6 C1 B4 B9 5.5(13) . . . . ?
B6 C1 B5 B4 144.5(10) . . . . ?
B6 C1 B5 B9 104.4(11) . . . . ?
B6 C1 B5 B10 39.7(9) . . . . ?
B6 C2 C3 C4 -15.3(16) . . . . ?
B6 C2 C3 C8 163.8(12) . . . . ?
B6 C2 B3 C1 -32.8(9) . . . . ?
B6 C2 B3 B4 3.0(12) . . . . ?
B6 C2 B3 B7 105.8(10) . . . . ?
B6 C2 B3 B8 67.9(11) . . . . ?
B6 C2 B7 B3 -102.1(11) . . . . ?
B6 C2 B7 B8 -62.7(12) . . . . ?
B6 C2 B7 B11 38.4(10) . . . . ?
B6 C2 B7 B12 -0.2(13) . . . . ?
B6 C2 B11 B7 -139.9(10) . . . . ?
B6 C2 B11 B10 -39.2(8) . . . . ?
B6 C2 B11 B12 -100.5(10) . . . . ?
B6 B5 B9 B4 101.1(10) . . . . ?
B6 B5 B9 B8 60.6(13) . . . . ?
B6 B5 B9 B10 -40.1(9) . . . . ?
B6 B5 B9 B12 -3.6(12) . . . . ?
B6 B5 B10 B9 136.6(10) . . . . ?
B6 B5 B10 B11 37.1(8) . . . . ?
B6 B5 B10 B12 99.8(10) . . . . ?
B6 B10 B11 C2 38.7(8) . . . . ?
B6 B10 B11 B7 100.2(9) . . . . ?
B6 B10 B11 B12 138.1(10) . . . . ?
B6 B10 B12 B7 2.0(13) . . . . ?
B6 B10 B12 B8 64.3(12) . . . . ?
B6 B10 B12 B9 99.7(10) . . . . ?
B6 B10 B12 B11 -36.9(9) . . . . ?
B6 B11 B12 B7 -100.2(10) . . . . ?
B6 B11 B12 B8 -64.3(12) . . . . ?
B6 B11 B12 B9 -2.2(12) . . . . ?
B6 B11 B12 B10 37.0(9) . . . . ?
B7 C2 C3 C4 133.2(12) . . . . ?
B7 C2 C3 C8 -47.8(16) . . . . ?
B7 C2 B3 C1 -138.6(9) . . . . ?
B7 C2 B3 B4 -102.9(10) . . . . ?
B7 C2 B3 B8 -38.0(8) . . . . ?
B7 C2 B6 C1 99.7(10) . . . . ?
B7 C2 B6 B5 62.4(12) . . . . ?
B7 C2 B6 B10 1.4(13) . . . . ?
B7 C2 B6 B11 -38.6(10) . . . . ?
B7 C2 B11 B6 139.9(10) . . . . ?
B7 C2 B11 B10 100.7(10) . . . . ?
B7 C2 B11 B12 39.3(9) . . . . ?
B7 B3 B4 C1 -97.8(11) . . . . ?
B7 B3 B4 C9 154.5(10) . . . . ?
B7 B3 B4 B5 -62.6(12) . . . . ?
B7 B3 B4 B8 35.3(9) . . . . ?
B7 B3 B4 B9 -0.3(13) . . . . ?
B7 B3 B8 B4 -140.3(11) . . . . ?
B7 B3 B8 B9 -104.0(11) . . . . ?
B7 B3 B8 B12 -40.2(9) . . . . ?
B7 B8 B9 B4 -99.5(10) . . . . ?
B7 B8 B9 B5 -60.3(13) . . . . ?
B7 B8 B9 B10 2.2(12) . . . . ?
B7 B8 B9 B12 38.3(9) . . . . ?
B7 B8 B12 B9 -138.4(9) . . . . ?
B7 B8 B12 B10 -102.0(10) . . . . ?
B7 B8 B12 B11 -36.8(9) . . . . ?
B7 B11 B12 B8 35.9(9) . . . . ?
B7 B11 B12 B9 98.0(10) . . . . ?
B7 B11 B12 B10 137.2(10) . . . . ?
B8 B3 B4 C1 -133.1(10) . . . . ?
B8 B3 B4 C9 119.2(12) . . . . ?
B8 B3 B4 B5 -98.0(10) . . . . ?
B8 B3 B4 B9 -35.6(9) . . . . ?
B8 B3 B7 C2 135.8(10) . . . . ?
B8 B3 B7 B11 101.5(10) . . . . ?
B8 B3 B7 B12 39.4(9) . . . . ?
B8 B4 B5 C1 -97.4(10) . . . . ?
B8 B4 B5 B6 -65.8(11) . . . . ?
B8 B4 B5 B9 36.8(9) . . . . ?
B8 B4 B5 B10 0.5(12) . . . . ?
B8 B4 B9 B5 -136.7(11) . . . . ?
B8 B4 B9 B10 -102.4(11) . . . . ?
B8 B4 B9 B12 -38.8(10) . . . . ?
B8 B7 B11 C2 98.8(10) . . . . ?
B8 B7 B11 B6 63.6(11) . . . . ?
B8 B7 B11 B10 1.0(11) . . . . ?
B8 B7 B11 B12 -36.4(9) . . . . ?
B8 B7 B12 B9 36.1(9) . . . . ?
B8 B7 B12 B10 100.0(11) . . . . ?
B8 B7 B12 B11 139.3(10) . . . . ?
B8 B9 B10 B5 -102.1(10) . . . . ?
B8 B9 B10 B6 -63.7(11) . . . . ?
B8 B9 B10 B11 -1.5(12) . . . . ?
B8 B9 B10 B12 36.6(9) . . . . ?
B8 B9 B12 B7 -36.1(9) . . . . ?
B8 B9 B12 B10 -139.8(9) . . . . ?
B8 B9 B12 B11 -100.1(10) . . . . ?
B9 B4 B5 C1 -134.2(10) . . . . ?
B9 B4 B5 B6 -102.6(11) . . . . ?
B9 B4 B5 B10 -36.3(9) . . . . ?
B9 B4 B8 B3 138.6(11) . . . . ?
B9 B4 B8 B7 102.8(11) . . . . ?
B9 B4 B8 B12 38.0(9) . . . . ?
B9 B5 B6 C1 -96.0(10) . . . . ?
B9 B5 B6 C2 -59.4(11) . . . . ?
B9 B5 B6 B10 40.1(9) . . . . ?
B9 B5 B6 B11 2.3(12) . . . . ?
B9 B5 B10 B6 -136.6(10) . . . . ?
B9 B5 B10 B11 -99.5(10) . . . . ?
B9 B5 B10 B12 -36.8(9) . . . . ?
B9 B8 B12 B7 138.4(9) . . . . ?
B9 B8 B12 B10 36.4(8) . . . . ?
B9 B8 B12 B11 101.5(10) . . . . ?
B9 B10 B11 C2 -61.2(10) . . . . ?
B9 B10 B11 B6 -99.9(10) . . . . ?
B9 B10 B11 B7 0.3(11) . . . . ?
B9 B10 B11 B12 38.2(8) . . . . ?
B9 B10 B12 B7 -97.7(10) . . . . ?
B9 B10 B12 B8 -35.4(8) . . . . ?
B9 B10 B12 B11 -136.7(10) . . . . ?
B10 B5 B6 C1 -136.2(9) . . . . ?
B10 B5 B6 C2 -99.6(10) . . . . ?
B10 B5 B6 B11 -37.9(9) . . . . ?
B10 B5 B9 B4 141.2(10) . . . . ?
B10 B5 B9 B8 100.7(11) . . . . ?
B10 B5 B9 B12 36.5(9) . . . . ?
B10 B6 B11 C2 -135.0(10) . . . . ?
B10 B6 B11 B7 -99.8(10) . . . . ?
B10 B6 B11 B12 -36.7(9) . . . . ?
B10 B9 B12 B7 103.6(10) . . . . ?
B10 B9 B12 B8 139.8(9) . . . . ?
B10 B9 B12 B11 39.6(9) . . . . ?
B10 B11 B12 B7 -137.2(10) . . . . ?
B10 B11 B12 B8 -101.3(10) . . . . ?
B10 B11 B12 B9 -39.3(9) . . . . ?
B11 C2 C3 C4 58.8(15) . . . . ?
B11 C2 C3 C8 -122.2(12) . . . . ?
B11 C2 B3 C1 -100.6(9) . . . . ?
B11 C2 B3 B4 -64.9(11) . . . . ?
B11 C2 B3 B7 38.0(9) . . . . ?
B11 C2 B3 B8 0.0(12) . . . . ?
B11 C2 B6 C1 138.3(9) . . . . ?
B11 C2 B6 B5 101.1(10) . . . . ?
B11 C2 B6 B10 40.1(9) . . . . ?
B11 C2 B7 B3 -140.5(10) . . . . ?
B11 C2 B7 B8 -101.1(10) . . . . ?
B11 C2 B7 B12 -38.6(9) . . . . ?
B11 B6 B10 B5 137.9(10) . . . . ?
B11 B6 B10 B9 99.7(10) . . . . ?
B11 B6 B10 B12 37.0(9) . . . . ?
B11 B7 B8 B3 -99.6(9) . . . . ?
B11 B7 B8 B4 -65.0(11) . . . . ?
B11 B7 B8 B9 -2.0(12) . . . . ?
B11 B7 B8 B12 36.1(9) . . . . ?
B11 B7 B12 B8 -139.3(10) . . . . ?
B11 B7 B12 B9 -103.2(10) . . . . ?
B11 B7 B12 B10 -39.3(9) . . . . ?
B11 B10 B12 B7 38.9(9) . . . . ?
B11 B10 B12 B8 101.3(10) . . . . ?
B11 B10 B12 B9 136.7(10) . . . . ?
B12 B7 B8 B3 -135.7(10) . . . . ?
B12 B7 B8 B4 -101.0(10) . . . . ?
B12 B7 B8 B9 -38.0(9) . . . . ?
B12 B7 B11 C2 135.2(10) . . . . ?
B12 B7 B11 B6 100.0(10) . . . . ?
B12 B7 B11 B10 37.4(8) . . . . ?
B12 B8 B9 B4 -137.8(10) . . . . ?
B12 B8 B9 B5 -98.5(12) . . . . ?
B12 B8 B9 B10 -36.1(9) . . . . ?
B12 B9 B10 B5 -138.6(9) . . . . ?
B12 B9 B10 B6 -100.3(10) . . . . ?
B12 B9 B10 B11 -38.1(8) . . . . ?
B12 B10 B11 C2 -99.4(9) . . . . ?
B12 B10 B11 B6 -138.1(10) . . . . ?
B12 B10 B11 B7 -37.9(8) . . . . ?
O1A C10A C11A C12A -5.5(15) . . . . ?
O1A C10A C11A C16A 174.6(11) . . . . ?
C1A C2A C3A C4A 166.0(11) . . . . ?
C1A C2A C3A C8A -18.0(16) . . . . ?
C1A C2A B3A B4A 33.4(8) . . . . ?
C1A C2A B3A B7A 136.8(10) . . . . ?
C1A C2A B3A B8A 96.1(9) . . . . ?
C1A C2A B6A B5A -34.2(7) . . . . ?
C1A C2A B6A B10A -97.4(9) . . . . ?
C1A C2A B6A B11A -137.4(9) . . . . ?
C1A C2A B7A B3A -39.7(9) . . . . ?
C1A C2A B7A B8A 2.0(13) . . . . ?
C1A C2A B7A B11A 101.8(9) . . . . ?
C1A C2A B7A B12A 62.8(12) . . . . ?
C1A C2A B11A B6A 38.6(8) . . . . ?
C1A C2A B11A B7A -102.9(9) . . . . ?
C1A C2A B11A B10A -1.9(11) . . . . ?
C1A C2A B11A B12A -64.5(10) . . . . ?
C1A B3A B4A C9A -112.1(11) . . . . ?
C1A B3A B4A B5A 33.5(8) . . . . ?
C1A B3A B4A B8A 132.5(10) . . . . ?
C1A B3A B4A B9A 96.5(10) . . . . ?
C1A B3A B7A C2A 36.4(8) . . . . ?
C1A B3A B7A B8A -96.6(9) . . . . ?
C1A B3A B7A B11A 2.7(11) . . . . ?
C1A B3A B7A B12A -60.0(11) . . . . ?
C1A B3A B8A B4A -39.3(8) . . . . ?
C1A B3A B8A B7A 99.7(10) . . . . ?
C1A B3A B8A B9A -2.2(12) . . . . ?
C1A B3A B8A B12A 61.5(12) . . . . ?
C1A B4A B5A B6A 33.3(8) . . . . ?
C1A B4A B5A B9A 133.7(9) . . . . ?
C1A B4A B5A B10A 96.6(8) . . . . ?
C1A B4A B8A B3A 41.5(9) . . . . ?
C1A B4A B8A B7A 5.0(12) . . . . ?
C1A B4A B8A B9A -97.8(10) . . . . ?
C1A B4A B8A B12A -60.1(11) . . . . ?
C1A B4A B9A B5A -39.5(8) . . . . ?
C1A B4A B9A B8A 99.0(9) . . . . ?
C1A B4A B9A B10A -2.0(12) . . . . ?
C1A B4A B9A B12A 62.4(11) . . . . ?
C1A B5A B6A C2A 33.8(7) . . . . ?
C1A B5A B6A B10A 133.8(9) . . . . ?
C1A B5A B6A B11A 96.4(9) . . . . ?
C1A B5A B9A B4A 38.9(8) . . . . ?
C1A B5A B9A B8A 1.9(11) . . . . ?
C1A B5A B9A B10A -99.3(9) . . . . ?
C1A B5A B9A B12A -59.8(11) . . . . ?
C1A B5A B10A B6A -40.0(8) . . . . ?
C1A B5A B10A B9A 97.8(9) . . . . ?
C1A B5A B10A B11A -3.7(11) . . . . ?
C1A B5A B10A B12A 59.8(10) . . . . ?
C1A B6A B10A B5A 39.4(8) . . . . ?
C1A B6A B10A B9A 1.6(12) . . . . ?
C1A B6A B10A B11A -99.2(9) . . . . ?
C1A B6A B10A B12A -60.3(11) . . . . ?
C1A B6A B11A C2A -36.1(8) . . . . ?
C1A B6A B11A B7A -2.3(12) . . . . ?
C1A B6A B11A B10A 98.5(9) . . . . ?
C1A B6A B11A B12A 59.4(11) . . . . ?
C2A C1A B3A B4A -140.4(9) . . . . ?
C2A C1A B3A B7A -37.7(8) . . . . ?
C2A C1A B3A B8A -99.2(10) . . . . ?
C2A C1A B4A C9A 142.9(10) . . . . ?
C2A C1A B4A B3A 37.1(9) . . . . ?
C2A C1A B4A B5A -105.2(10) . . . . ?
C2A C1A B4A B8A -3.9(12) . . . . ?
C2A C1A B4A B9A -65.3(11) . . . . ?
C2A C1A B5A B4A 104.8(9) . . . . ?
C2A C1A B5A B6A -37.6(8) . . . . ?
C2A C1A B5A B9A 64.2(10) . . . . ?
C2A C1A B5A B10A 2.7(10) . . . . ?
C2A C1A B6A B5A 140.4(8) . . . . ?
C2A C1A B6A B10A 99.8(9) . . . . ?
C2A C1A B6A B11A 37.3(8) . . . . ?
C2A C3A C4A C5A 179.0(12) . . . . ?
C2A C3A C8A C7A -177.2(12) . . . . ?
C2A B3A B4A C1A -33.4(8) . . . . ?
C2A B3A B4A C9A -145.5(10) . . . . ?
C2A B3A B4A B5A 0.1(11) . . . . ?
C2A B3A B4A B8A 99.1(10) . . . . ?
C2A B3A B4A B9A 63.1(11) . . . . ?
C2A B3A B7A B8A -132.9(10) . . . . ?
C2A B3A B7A B11A -33.6(8) . . . . ?
C2A B3A B7A B12A -96.4(10) . . . . ?
C2A B3A B8A B4A -98.1(9) . . . . ?
C2A B3A B8A B7A 40.9(9) . . . . ?
C2A B3A B8A B9A -60.9(11) . . . . ?
C2A B3A B8A B12A 2.8(12) . . . . ?
C2A B6A B10A B5A 98.9(9) . . . . ?
C2A B6A B10A B9A 61.1(11) . . . . ?
C2A B6A B10A B11A -39.8(8) . . . . ?
C2A B6A B10A B12A -0.8(11) . . . . ?
C2A B6A B11A B7A 33.7(8) . . . . ?
C2A B6A B11A B10A 134.6(9) . . . . ?
C2A B6A B11A B12A 95.5(10) . . . . ?
C2A B7A B8A B3A -41.0(8) . . . . ?
C2A B7A B8A B4A -4.3(13) . . . . ?
C2A B7A B8A B9A 60.4(12) . . . . ?
C2A B7A B8A B12A 97.4(11) . . . . ?
C2A B7A B11A B6A -34.6(8) . . . . ?
C2A B7A B11A B10A -98.9(9) . . . . ?
C2A B7A B11A B12A -134.9(10) . . . . ?
C2A B7A B12A B8A -99.8(10) . . . . ?
C2A B7A B12A B9A -61.9(12) . . . . ?
C2A B7A B12A B10A 2.3(14) . . . . ?
C2A B7A B12A B11A 38.3(9) . . . . ?
C2A B11A B12A B7A -38.1(9) . . . . ?
C2A B11A B12A B8A -0.3(13) . . . . ?
C2A B11A B12A B9A 65.2(12) . . . . ?
C2A B11A B12A B10A 101.8(9) . . . . ?
C3A C2A B3A C1A 109.6(10) . . . . ?
C3A C2A B3A B4A 142.9(10) . . . . ?
C3A C2A B3A B7A -113.6(11) . . . . ?
C3A C2A B3A B8A -154.4(9) . . . . ?
C3A C2A B6A C1A -109.9(10) . . . . ?
C3A C2A B6A B5A -144.2(9) . . . . ?
C3A C2A B6A B10A 152.7(9) . . . . ?
C3A C2A B6A B11A 112.7(11) . . . . ?
C3A C2A B7A B3A 106.4(11) . . . . ?
C3A C2A B7A B8A 148.1(10) . . . . ?
C3A C2A B7A B11A -112.1(12) . . . . ?
C3A C2A B7A B12A -151.1(10) . . . . ?
C3A C2A B11A B6A -104.6(10) . . . . ?
C3A C2A B11A B7A 114.0(11) . . . . ?
C3A C2A B11A B10A -145.0(10) . . . . ?
C3A C2A B11A B12A 152.4(9) . . . . ?
C3A C4A C5A C6A -2(2) . . . . ?
C4A C3A C8A C7A -1.3(19) . . . . ?
C4A C5A C6A C7A -1(2) . . . . ?
C5A C6A C7A C8A 2(2) . . . . ?
C6A C7A C8A C3A -1(2) . . . . ?
C8A C3A C4A C5A 3(2) . . . . ?
C9A C10A C11A C12A 174.6(10) . . . . ?
C9A C10A C11A C16A -5.3(16) . . . . ?
C9A B4A B5A C1A 109.2(11) . . . . ?
C9A B4A B5A B6A 142.5(10) . . . . ?
C9A B4A B5A B9A -117.2(11) . . . . ?
C9A B4A B5A B10A -154.2(9) . . . . ?
C9A B4A B8A B3A -104.1(12) . . . . ?
C9A B4A B8A B7A -140.5(11) . . . . ?
C9A B4A B8A B9A 116.6(12) . . . . ?
C9A B4A B8A B12A 154.3(10) . . . . ?
C9A B4A B9A B5A 110.0(13) . . . . ?
C9A B4A B9A B8A -111.5(13) . . . . ?
C9A B4A B9A B10A 147.6(11) . . . . ?
C9A B4A B9A B12A -148.1(12) . . . . ?
C10A C9A B4A C1A 92.0(13) . . . . ?
C10A C9A B4A B3A 162.2(10) . . . . ?
C10A C9A B4A B5A 21.5(15) . . . . ?
C10A C9A B4A B8A -127.8(11) . . . . ?
C10A C9A B4A B9A -52.9(16) . . . . ?
C10A C11A C12A C13A -176.0(11) . . . . ?
C10A C11A C16A C15A 176.8(11) . . . . ?
C11A C12A C13A C14A -1.4(19) . . . . ?
C12A C11A C16A C15A -3.1(16) . . . . ?
C12A C13A C14A C15A -2(2) . . . . ?
C13A C14A C15A C16A 3(2) . . . . ?
C14A C15A C16A C11A -0.4(19) . . . . ?
C16A C11A C12A C13A 3.9(17) . . . . ?
B3A C1A C2A C3A -108.5(11) . . . . ?
B3A C1A C2A B6A 145.6(9) . . . . ?
B3A C1A C2A B7A 39.1(9) . . . . ?
B3A C1A C2A B11A 107.3(9) . . . . ?
B3A C1A B4A C9A 105.7(12) . . . . ?
B3A C1A B4A B5A -142.4(9) . . . . ?
B3A C1A B4A B8A -41.1(9) . . . . ?
B3A C1A B4A B9A -102.4(10) . . . . ?
B3A C1A B5A B4A 37.1(9) . . . . ?
B3A C1A B5A B6A -105.4(10) . . . . ?
B3A C1A B5A B9A -3.6(12) . . . . ?
B3A C1A B5A B10A -65.1(11) . . . . ?
B3A C1A B6A C2A -32.9(8) . . . . ?
B3A C1A B6A B5A 107.5(9) . . . . ?
B3A C1A B6A B10A 66.9(11) . . . . ?
B3A C1A B6A B11A 4.4(12) . . . . ?
B3A C2A C3A C4A 94.4(13) . . . . ?
B3A C2A C3A C8A -89.6(13) . . . . ?
B3A C2A B6A C1A 33.0(9) . . . . ?
B3A C2A B6A B5A -1.3(12) . . . . ?
B3A C2A B6A B10A -64.4(11) . . . . ?
B3A C2A B6A B11A -104.4(10) . . . . ?
B3A C2A B7A B8A 41.7(9) . . . . ?
B3A C2A B7A B11A 141.5(9) . . . . ?
B3A C2A B7A B12A 102.5(11) . . . . ?
B3A C2A B11A B6A 105.2(9) . . . . ?
B3A C2A B11A B7A -36.3(9) . . . . ?
B3A C2A B11A B10A 64.7(11) . . . . ?
B3A C2A B11A B12A 2.1(12) . . . . ?
B3A B4A B5A C1A -34.2(8) . . . . ?
B3A B4A B5A B6A -0.9(11) . . . . ?
B3A B4A B5A B9A 99.5(10) . . . . ?
B3A B4A B5A B10A 62.4(10) . . . . ?
B3A B4A B8A B7A -36.4(9) . . . . ?
B3A B4A B8A B9A -139.3(10) . . . . ?
B3A B4A B8A B12A -101.6(10) . . . . ?
B3A B4A B9A B5A -102.4(9) . . . . ?
B3A B4A B9A B8A 36.1(8) . . . . ?
B3A B4A B9A B10A -64.8(11) . . . . ?
B3A B4A B9A B12A -0.5(12) . . . . ?
B3A B7A B8A B4A 36.7(9) . . . . ?
B3A B7A B8A B9A 101.4(10) . . . . ?
B3A B7A B8A B12A 138.4(10) . . . . ?
B3A B7A B11A C2A 34.3(8) . . . . ?
B3A B7A B11A B6A -0.3(12) . . . . ?
B3A B7A B11A B10A -64.6(11) . . . . ?
B3A B7A B11A B12A -100.6(11) . . . . ?
B3A B7A B12A B8A -37.6(9) . . . . ?
B3A B7A B12A B9A 0.3(13) . . . . ?
B3A B7A B12A B10A 64.4(12) . . . . ?
B3A B7A B12A B11A 100.4(10) . . . . ?
B3A B8A B9A B4A -36.7(9) . . . . ?
B3A B8A B9A B5A 0.2(13) . . . . ?
B3A B8A B9A B10A 64.0(12) . . . . ?
B3A B8A B9A B12A 101.1(10) . . . . ?
B3A B8A B12A B7A 37.2(9) . . . . ?
B3A B8A B12A B9A -101.8(10) . . . . ?
B3A B8A B12A B10A -64.8(12) . . . . ?
B3A B8A B12A B11A -1.6(13) . . . . ?
B4A C1A C2A C3A -146.3(10) . . . . ?
B4A C1A C2A B3A -37.8(9) . . . . ?
B4A C1A C2A B6A 107.9(10) . . . . ?
B4A C1A C2A B7A 1.3(12) . . . . ?
B4A C1A C2A B11A 69.5(11) . . . . ?
B4A C1A B3A C2A 140.4(9) . . . . ?
B4A C1A B3A B7A 102.7(10) . . . . ?
B4A C1A B3A B8A 41.2(9) . . . . ?
B4A C1A B5A B6A -142.5(9) . . . . ?
B4A C1A B5A B9A -40.7(8) . . . . ?
B4A C1A B5A B10A -102.1(9) . . . . ?
B4A C1A B6A C2A -103.0(9) . . . . ?
B4A C1A B6A B5A 37.3(9) . . . . ?
B4A C1A B6A B10A -3.2(12) . . . . ?
B4A C1A B6A B11A -65.8(11) . . . . ?
B4A C9A C10A O1A -84.4(14) . . . . ?
B4A C9A C10A C11A 95.6(12) . . . . ?
B4A B3A B7A C2A 95.8(9) . . . . ?
B4A B3A B7A B8A -37.1(9) . . . . ?
B4A B3A B7A B11A 62.2(11) . . . . ?
B4A B3A B7A B12A -0.6(12) . . . . ?
B4A B3A B8A B7A 139.0(10) . . . . ?
B4A B3A B8A B9A 37.2(9) . . . . ?
B4A B3A B8A B12A 100.8(10) . . . . ?
B4A B5A B6A C1A -32.5(8) . . . . ?
B4A B5A B6A C2A 1.2(11) . . . . ?
B4A B5A B6A B10A 101.3(9) . . . . ?
B4A B5A B6A B11A 63.9(11) . . . . ?
B4A B5A B9A B8A -37.0(9) . . . . ?
B4A B5A B9A B10A -138.2(9) . . . . ?
B4A B5A B9A B12A -98.8(11) . . . . ?
B4A B5A B10A B6A -100.0(9) . . . . ?
B4A B5A B10A B9A 37.8(8) . . . . ?
B4A B5A B10A B11A -63.7(10) . . . . ?
B4A B5A B10A B12A -0.2(11) . . . . ?
B4A B8A B9A B5A 36.9(8) . . . . ?
B4A B8A B9A B10A 100.8(10) . . . . ?
B4A B8A B9A B12A 137.8(10) . . . . ?
B4A B8A B12A B7A 100.8(9) . . . . ?
B4A B8A B12A B9A -38.2(9) . . . . ?
B4A B8A B12A B10A -1.2(12) . . . . ?
B4A B8A B12A B11A 62.0(12) . . . . ?
B4A B9A B10A B5A -37.2(8) . . . . ?
B4A B9A B10A B6A 0.2(13) . . . . ?
B4A B9A B10A B11A 62.4(11) . . . . ?
B4A B9A B10A B12A 99.2(10) . . . . ?
B4A B9A B12A B7A 0.2(13) . . . . ?
B4A B9A B12A B8A 37.2(9) . . . . ?
B4A B9A B12A B10A -101.9(10) . . . . ?
B4A B9A B12A B11A -65.7(12) . . . . ?
B5A C1A C2A C3A 143.7(9) . . . . ?
B5A C1A C2A B3A -107.9(9) . . . . ?
B5A C1A C2A B6A 37.8(8) . . . . ?
B5A C1A C2A B7A -68.8(11) . . . . ?
B5A C1A C2A B11A -0.5(11) . . . . ?
B5A C1A B3A C2A 102.9(9) . . . . ?
B5A C1A B3A B4A -37.5(9) . . . . ?
B5A C1A B3A B7A 65.2(11) . . . . ?
B5A C1A B3A B8A 3.7(12) . . . . ?
B5A C1A B4A C9A -111.9(12) . . . . ?
B5A C1A B4A B3A 142.4(9) . . . . ?
B5A C1A B4A B8A 101.3(9) . . . . ?
B5A C1A B4A B9A 40.0(8) . . . . ?
B5A C1A B6A C2A -140.4(8) . . . . ?
B5A C1A B6A B10A -40.5(8) . . . . ?
B5A C1A B6A B11A -103.1(10) . . . . ?
B5A B4A B8A B3A 102.6(9) . . . . ?
B5A B4A B8A B7A 66.2(11) . . . . ?
B5A B4A B8A B9A -36.7(8) . . . . ?
B5A B4A B8A B12A 1.0(11) . . . . ?
B5A B4A B9A B8A 138.5(9) . . . . ?
B5A B4A B9A B10A 37.6(9) . . . . ?
B5A B4A B9A B12A 101.9(10) . . . . ?
B5A B6A B10A B9A -37.8(9) . . . . ?
B5A B6A B10A B11A -138.6(10) . . . . ?
B5A B6A B10A B12A -99.7(10) . . . . ?
B5A B6A B11A C2A -97.2(9) . . . . ?
B5A B6A B11A B7A -63.4(11) . . . . ?
B5A B6A B11A B10A 37.5(9) . . . . ?
B5A B6A B11A B12A -1.6(12) . . . . ?
B5A B9A B10A B6A 37.4(8) . . . . ?
B5A B9A B10A B11A 99.6(9) . . . . ?
B5A B9A B10A B12A 136.5(10) . . . . ?
B5A B9A B12A B7A 63.0(12) . . . . ?
B5A B9A B12A B8A 100.0(10) . . . . ?
B5A B9A B12A B10A -39.1(9) . . . . ?
B5A B9A B12A B11A -2.9(14) . . . . ?
B5A B10A B11A C2A 3.5(11) . . . . ?
B5A B10A B11A B6A -36.6(8) . . . . ?
B5A B10A B11A B7A 64.4(10) . . . . ?
B5A B10A B11A B12A 99.7(10) . . . . ?
B5A B10A B12A B7A -63.3(12) . . . . ?
B5A B10A B12A B8A 0.8(12) . . . . ?
B5A B10A B12A B9A 38.6(8) . . . . ?
B5A B10A B12A B11A -100.5(9) . . . . ?
B6A C1A C2A C3A 105.9(10) . . . . ?
B6A C1A C2A B3A -145.6(9) . . . . ?
B6A C1A C2A B7A -106.5(10) . . . . ?
B6A C1A C2A B11A -38.3(8) . . . . ?
B6A C1A B3A C2A 33.2(8) . . . . ?
B6A C1A B3A B4A -107.3(10) . . . . ?
B6A C1A B3A B7A -4.5(12) . . . . ?
B6A C1A B3A B8A -66.0(11) . . . . ?
B6A C1A B4A C9A -148.6(10) . . . . ?
B6A C1A B4A B3A 105.7(10) . . . . ?
B6A C1A B4A B5A -36.7(9) . . . . ?
B6A C1A B4A B8A 64.6(11) . . . . ?
B6A C1A B4A B9A 3.3(12) . . . . ?
B6A C1A B5A B4A 142.5(9) . . . . ?
B6A C1A B5A B9A 101.8(9) . . . . ?
B6A C1A B5A B10A 40.3(8) . . . . ?
B6A C2A C3A C4A -124.3(12) . . . . ?
B6A C2A C3A C8A 51.7(15) . . . . ?
B6A C2A B3A C1A -32.6(9) . . . . ?
B6A C2A B3A B4A 0.7(12) . . . . ?
B6A C2A B3A B7A 104.2(10) . . . . ?
B6A C2A B3A B8A 63.5(11) . . . . ?
B6A C2A B7A B3A -105.4(10) . . . . ?
B6A C2A B7A B8A -63.7(12) . . . . ?
B6A C2A B7A B11A 36.1(9) . . . . ?
B6A C2A B7A B12A -2.9(13) . . . . ?
B6A C2A B11A B7A -141.4(10) . . . . ?
B6A C2A B11A B10A -40.5(8) . . . . ?
B6A C2A B11A B12A -103.0(10) . . . . ?
B6A B5A B9A B4A 100.7(9) . . . . ?
B6A B5A B9A B8A 63.7(11) . . . . ?
B6A B5A B9A B10A -37.5(8) . . . . ?
B6A B5A B9A B12A 1.9(13) . . . . ?
B6A B5A B10A B9A 137.8(10) . . . . ?
B6A B5A B10A B11A 36.3(8) . . . . ?
B6A B5A B10A B12A 99.9(10) . . . . ?
B6A B10A B11A C2A 40.1(8) . . . . ?
B6A B10A B11A B7A 101.0(9) . . . . ?
B6A B10A B11A B12A 136.2(10) . . . . ?
B6A B10A B12A B7A -0.9(13) . . . . ?
B6A B10A B12A B8A 63.2(11) . . . . ?
B6A B10A B12A B9A 101.0(9) . . . . ?
B6A B10A B12A B11A -38.2(8) . . . . ?
B6A B11A B12A B7A -100.5(10) . . . . ?
B6A B11A B12A B8A -62.7(12) . . . . ?
B6A B11A B12A B9A 2.9(13) . . . . ?
B6A B11A B12A B10A 39.4(9) . . . . ?
B7A C2A C3A C4A 23.0(17) . . . . ?
B7A C2A C3A C8A -161.1(11) . . . . ?
B7A C2A B3A C1A -136.8(10) . . . . ?
B7A C2A B3A B4A -103.5(11) . . . . ?
B7A C2A B3A B8A -40.7(9) . . . . ?
B7A C2A B6A C1A 99.8(10) . . . . ?
B7A C2A B6A B5A 65.5(12) . . . . ?
B7A C2A B6A B10A 2.4(12) . . . . ?
B7A C2A B6A B11A -37.6(10) . . . . ?
B7A C2A B11A B6A 141.4(10) . . . . ?
B7A C2A B11A B10A 101.0(10) . . . . ?
B7A C2A B11A B12A 38.4(9) . . . . ?
B7A B3A B4A C1A -95.8(10) . . . . ?
B7A B3A B4A C9A 152.0(10) . . . . ?
B7A B3A B4A B5A -62.3(11) . . . . ?
B7A B3A B4A B8A 36.7(9) . . . . ?
B7A B3A B4A B9A 0.7(12) . . . . ?
B7A B3A B8A B4A -139.0(10) . . . . ?
B7A B3A B8A B9A -101.8(11) . . . . ?
B7A B3A B8A B12A -38.1(10) . . . . ?
B7A B8A B9A B4A -100.1(9) . . . . ?
B7A B8A B9A B5A -63.2(11) . . . . ?
B7A B8A B9A B10A 0.6(12) . . . . ?
B7A B8A B9A B12A 37.7(9) . . . . ?
B7A B8A B12A B9A -139.0(9) . . . . ?
B7A B8A B12A B10A -102.0(10) . . . . ?
B7A B8A B12A B11A -38.8(9) . . . . ?
B7A B11A B12A B8A 37.8(10) . . . . ?
B7A B11A B12A B9A 103.4(11) . . . . ?
B7A B11A B12A B10A 139.9(10) . . . . ?
B8A B3A B4A C1A -132.5(10) . . . . ?
B8A B3A B4A C9A 115.4(11) . . . . ?
B8A B3A B4A B5A -99.0(10) . . . . ?
B8A B3A B4A B9A -36.0(9) . . . . ?
B8A B3A B7A C2A 132.9(10) . . . . ?
B8A B3A B7A B11A 99.3(10) . . . . ?
B8A B3A B7A B12A 36.5(9) . . . . ?
B8A B4A B5A C1A -97.1(9) . . . . ?
B8A B4A B5A B6A -63.8(10) . . . . ?
B8A B4A B5A B9A 36.5(8) . . . . ?
B8A B4A B5A B10A -0.5(11) . . . . ?
B8A B4A B9A B5A -138.5(9) . . . . ?
B8A B4A B9A B10A -100.9(10) . . . . ?
B8A B4A B9A B12A -36.6(9) . . . . ?
B8A B7A B11A C2A 98.4(10) . . . . ?
B8A B7A B11A B6A 63.8(11) . . . . ?
B8A B7A B11A B10A -0.5(11) . . . . ?
B8A B7A B11A B12A -36.5(9) . . . . ?
B8A B7A B12A B9A 37.9(9) . . . . ?
B8A B7A B12A B10A 102.0(11) . . . . ?
B8A B7A B12A B11A 138.0(10) . . . . ?
B8A B9A B10A B5A -100.5(10) . . . . ?
B8A B9A B10A B6A -63.1(12) . . . . ?
B8A B9A B10A B11A -0.9(12) . . . . ?
B8A B9A B10A B12A 35.9(9) . . . . ?
B8A B9A B12A B7A -37.1(9) . . . . ?
B8A B9A B12A B10A -139.1(9) . . . . ?
B8A B9A B12A B11A -103.0(11) . . . . ?
B9A B4A B5A C1A -133.7(9) . . . . ?
B9A B4A B5A B6A -100.4(9) . . . . ?
B9A B4A B5A B10A -37.1(8) . . . . ?
B9A B4A B8A B3A 139.3(10) . . . . ?
B9A B4A B8A B7A 102.8(11) . . . . ?
B9A B4A B8A B12A 37.7(9) . . . . ?
B9A B5A B6A C1A -96.6(9) . . . . ?
B9A B5A B6A C2A -62.8(11) . . . . ?
B9A B5A B6A B10A 37.2(9) . . . . ?
B9A B5A B6A B11A -0.2(12) . . . . ?
B9A B5A B10A B6A -137.8(10) . . . . ?
B9A B5A B10A B11A -101.5(10) . . . . ?
B9A B5A B10A B12A -37.9(9) . . . . ?
B9A B8A B12A B7A 139.0(9) . . . . ?
B9A B8A B12A B10A 37.0(9) . . . . ?
B9A B8A B12A B11A 100.2(11) . . . . ?
B9A B10A B11A C2A -60.1(11) . . . . ?
B9A B10A B11A B6A -100.1(10) . . . . ?
B9A B10A B11A B7A 0.9(11) . . . . ?
B9A B10A B11A B12A 36.1(9) . . . . ?
B9A B10A B12A B7A -101.9(11) . . . . ?
B9A B10A B12A B8A -37.8(9) . . . . ?
B9A B10A B12A B11A -139.1(10) . . . . ?
B10A B5A B6A C1A -133.8(9) . . . . ?
B10A B5A B6A C2A -100.0(9) . . . . ?
B10A B5A B6A B11A -37.3(9) . . . . ?
B10A B5A B9A B4A 138.2(9) . . . . ?
B10A B5A B9A B8A 101.2(10) . . . . ?
B10A B5A B9A B12A 39.4(10) . . . . ?
B10A B6A B11A C2A -134.6(9) . . . . ?
B10A B6A B11A B7A -100.9(10) . . . . ?
B10A B6A B11A B12A -39.1(9) . . . . ?
B10A B9A B12A B7A 102.1(10) . . . . ?
B10A B9A B12A B8A 139.1(9) . . . . ?
B10A B9A B12A B11A 36.2(9) . . . . ?
B10A B11A B12A B7A -139.9(10) . . . . ?
B10A B11A B12A B8A -102.0(11) . . . . ?
B10A B11A B12A B9A -36.5(9) . . . . ?
B11A C2A C3A C4A -54.5(15) . . . . ?
B11A C2A C3A C8A 121.5(12) . . . . ?
B11A C2A B3A C1A -99.2(9) . . . . ?
B11A C2A B3A B4A -65.8(11) . . . . ?
B11A C2A B3A B7A 37.6(9) . . . . ?
B11A C2A B3A B8A -3.1(11) . . . . ?
B11A C2A B6A C1A 137.4(9) . . . . ?
B11A C2A B6A B5A 103.2(10) . . . . ?
B11A C2A B6A B10A 40.0(8) . . . . ?
B11A C2A B7A B3A -141.5(9) . . . . ?
B11A C2A B7A B8A -99.8(11) . . . . ?
B11A C2A B7A B12A -39.0(9) . . . . ?
B11A B6A B10A B5A 138.6(10) . . . . ?
B11A B6A B10A B9A 100.8(11) . . . . ?
B11A B6A B10A B12A 38.9(9) . . . . ?
B11A B7A B8A B3A -101.5(9) . . . . ?
B11A B7A B8A B4A -64.8(11) . . . . ?
B11A B7A B8A B9A -0.1(12) . . . . ?
B11A B7A B8A B12A 36.9(9) . . . . ?
B11A B7A B12A B8A -138.0(10) . . . . ?
B11A B7A B12A B9A -100.2(11) . . . . ?
B11A B7A B12A B10A -36.0(9) . . . . ?
B11A B10A B12A B7A 37.2(10) . . . . ?
B11A B10A B12A B8A 101.3(11) . . . . ?
B11A B10A B12A B9A 139.1(10) . . . . ?
B12A B7A B8A B3A -138.4(10) . . . . ?
B12A B7A B8A B4A -101.7(10) . . . . ?
B12A B7A B8A B9A -37.0(9) . . . . ?
B12A B7A B11A C2A 134.9(10) . . . . ?
B12A B7A B11A B6A 100.3(10) . . . . ?
B12A B7A B11A B10A 36.0(9) . . . . ?
B12A B8A B9A B4A -137.8(10) . . . . ?
B12A B8A B9A B5A -100.9(10) . . . . ?
B12A B8A B9A B10A -37.1(9) . . . . ?
B12A B9A B10A B5A -136.5(10) . . . . ?
B12A B9A B10A B6A -99.0(10) . . . . ?
B12A B9A B10A B11A -36.9(9) . . . . ?
B12A B10A B11A C2A -96.2(10) . . . . ?
B12A B10A B11A B6A -136.2(10) . . . . ?
B12A B10A B11A B7A -35.2(9) . . . . ?
O1B C10B C11B C12B -173.8(17) . . . . ?
O1B C10B C11B C16B 1(3) . . . . ?
C1B C2B C3B C4B 159.6(11) . . . . ?
C1B C2B C3B C8B -21.1(17) . . . . ?
C1B C2B B3B B4B 36.8(9) . . . . ?
C1B C2B B3B B7B 136.6(11) . . . . ?
C1B C2B B3B B8B 99.0(12) . . . . ?
C1B C2B B6B B5B -34.5(8) . . . . ?
C1B C2B B6B B10B -97.1(10) . . . . ?
C1B C2B B6B B11B -135.8(10) . . . . ?
C1B C2B B7B B3B -39.0(10) . . . . ?
C1B C2B B7B B8B -1.9(14) . . . . ?
C1B C2B B7B B11B 102.2(10) . . . . ?
C1B C2B B7B B12B 63.0(12) . . . . ?
C1B C2B B11B B6B 39.8(10) . . . . ?
C1B C2B B11B B7B -101.4(11) . . . . ?
C1B C2B B11B B10B 0.5(14) . . . . ?
C1B C2B B11B B12B -61.8(12) . . . . ?
C1B B3B B4B C9B -105.8(15) . . . . ?
C1B B3B B4B B5B 30.3(10) . . . . ?
C1B B3B B4B B8B 137.0(12) . . . . ?
C1B B3B B4B B9B 97.3(14) . . . . ?
C1B B3B B7B C2B 36.8(9) . . . . ?
C1B B3B B7B B8B -100.6(13) . . . . ?
C1B B3B B7B B11B 1.7(13) . . . . ?
C1B B3B B7B B12B -61.6(12) . . . . ?
C1B B3B B8B B4B -37.5(11) . . . . ?
C1B B3B B8B B7B 97.6(12) . . . . ?
C1B B3B B8B B9B -2.0(13) . . . . ?
C1B B3B B8B B12B 59.5(14) . . . . ?
C1B B4B B5B B6B 33.2(9) . . . . ?
C1B B4B B5B B9B 131.9(12) . . . . ?
C1B B4B B5B B10B 95.8(10) . . . . ?
C1B B4B B8B B3B 35.9(10) . . . . ?
C1B B4B B8B B7B -5.1(16) . . . . ?
C1B B4B B8B B9B -102.2(13) . . . . ?
C1B B4B B8B B12B -67.6(13) . . . . ?
C1B B4B B9B B5B -42.2(11) . . . . ?
C1B B4B B9B B8B 96.9(12) . . . . ?
C1B B4B B9B B10B -3.5(17) . . . . ?
C1B B4B B9B B12B 60.7(16) . . . . ?
C1B B5B B6B C2B 33.3(8) . . . . ?
C1B B5B B6B B10B 130.0(12) . . . . ?
C1B B5B B6B B11B 94.7(11) . . . . ?
C1B B5B B9B B4B 40.7(10) . . . . ?
C1B B5B B9B B8B 4.1(14) . . . . ?
C1B B5B B9B B10B -96.7(11) . . . . ?
C1B B5B B9B B12B -60.1(14) . . . . ?
C1B B5B B10B B6B -41.3(10) . . . . ?
C1B B5B B10B B9B 96.4(12) . . . . ?
C1B B5B B10B B11B -4.3(15) . . . . ?
C1B B5B B10B B12B 59.5(13) . . . . ?
C1B B6B B10B B5B 42.8(10) . . . . ?
C1B B6B B10B B9B 4.6(14) . . . . ?
C1B B6B B10B B11B -97.2(11) . . . . ?
C1B B6B B10B B12B -60.2(12) . . . . ?
C1B B6B B11B C2B -36.8(8) . . . . ?
C1B B6B B11B B7B -2.8(12) . . . . ?
C1B B6B B11B B10B 97.9(11) . . . . ?
C1B B6B B11B B12B 61.0(11) . . . . ?
C2B C1B B3B B4B -137.5(10) . . . . ?
C2B C1B B3B B7B -37.5(9) . . . . ?
C2B C1B B3B B8B -99.7(10) . . . . ?
C2B C1B B4B C9B 152.7(13) . . . . ?
C2B C1B B4B B3B 40.5(10) . . . . ?
C2B C1B B4B B5B -106.1(11) . . . . ?
C2B C1B B4B B8B 4.1(15) . . . . ?
C2B C1B B4B B9B -62.5(15) . . . . ?
C2B C1B B5B B4B 103.6(12) . . . . ?
C2B C1B B5B B6B -38.0(10) . . . . ?
C2B C1B B5B B9B 64.0(14) . . . . ?
C2B C1B B5B B10B 4.8(15) . . . . ?
C2B C1B B6B B5B 141.1(10) . . . . ?
C2B C1B B6B B10B 98.0(10) . . . . ?
C2B C1B B6B B11B 37.5(8) . . . . ?
C2B C3B C4B C5B 174.7(11) . . . . ?
C2B C3B C8B C7B -178.1(11) . . . . ?
C2B B3B B4B C1B -36.2(9) . . . . ?
C2B B3B B4B C9B -142.0(13) . . . . ?
C2B B3B B4B B5B -5.9(13) . . . . ?
C2B B3B B4B B8B 100.8(11) . . . . ?
C2B B3B B4B B9B 61.1(15) . . . . ?
C2B B3B B7B B8B -137.4(13) . . . . ?
C2B B3B B7B B11B -35.1(9) . . . . ?
C2B B3B B7B B12B -98.4(11) . . . . ?
C2B B3B B8B B4B -97.8(13) . . . . ?
C2B B3B B8B B7B 37.3(11) . . . . ?
C2B B3B B8B B9B -62.3(13) . . . . ?
C2B B3B B8B B12B -0.8(16) . . . . ?
C2B B6B B10B B5B 101.5(12) . . . . ?
C2B B6B B10B B9B 63.2(13) . . . . ?
C2B B6B B10B B11B -38.5(9) . . . . ?
C2B B6B B10B B12B -1.5(13) . . . . ?
C2B B6B B11B B7B 34.0(9) . . . . ?
C2B B6B B11B B10B 134.7(11) . . . . ?
C2B B6B B11B B12B 97.8(11) . . . . ?
C2B B7B B8B B3B -37.0(11) . . . . ?
C2B B7B B8B B4B 4.5(16) . . . . ?
C2B B7B B8B B9B 63.5(13) . . . . ?
C2B B7B B8B B12B 100.4(12) . . . . ?
C2B B7B B11B B6B -33.9(9) . . . . ?
C2B B7B B11B B10B -96.6(10) . . . . ?
C2B B7B B11B B12B -135.3(11) . . . . ?
C2B B7B B12B B8B -99.6(12) . . . . ?
C2B B7B B12B B9B -61.2(13) . . . . ?
C2B B7B B12B B10B 0.5(13) . . . . ?
C2B B7B B12B B11B 39.5(9) . . . . ?
C2B B11B B12B B7B -38.6(9) . . . . ?
C2B B11B B12B B8B -3.1(14) . . . . ?
C2B B11B B12B B9B 61.5(13) . . . . ?
C2B B11B B12B B10B 97.9(10) . . . . ?
C3B C2B B3B C1B 110.2(11) . . . . ?
C3B C2B B3B B4B 147.0(10) . . . . ?
C3B C2B B3B B7B -113.2(12) . . . . ?
C3B C2B B3B B8B -150.8(12) . . . . ?
C3B C2B B6B C1B -111.3(10) . . . . ?
C3B C2B B6B B5B -145.8(10) . . . . ?
C3B C2B B6B B10B 151.6(10) . . . . ?
C3B C2B B6B B11B 112.9(11) . . . . ?
C3B C2B B7B B3B 108.8(12) . . . . ?
C3B C2B B7B B8B 145.8(12) . . . . ?
C3B C2B B7B B11B -110.1(12) . . . . ?
C3B C2B B7B B12B -149.3(10) . . . . ?
C3B C2B B11B B6B -106.5(12) . . . . ?
C3B C2B B11B B7B 112.3(12) . . . . ?
C3B C2B B11B B10B -145.8(11) . . . . ?
C3B C2B B11B B12B 151.9(11) . . . . ?
C3B C4B C5B C6B 4.0(19) . . . . ?
C4B C3B C8B C7B 1.2(16) . . . . ?
C4B C5B C6B C7B 0(2) . . . . ?
C5B C6B C7B C8B -3.4(18) . . . . ?
C6B C7B C8B C3B 2.7(17) . . . . ?
C8B C3B C4B C5B -4.5(16) . . . . ?
C9B C10B C11B C12B -8(2) . . . . ?
C9B C10B C11B C16B 166.8(15) . . . . ?
C9B B4B B5B C1B 111.6(12) . . . . ?
C9B B4B B5B B6B 144.8(11) . . . . ?
C9B B4B B5B B9B -116.5(14) . . . . ?
C9B B4B B5B B10B -152.6(11) . . . . ?
C9B B4B B8B B3B -109.1(16) . . . . ?
C9B B4B B8B B7B -150.1(14) . . . . ?
C9B B4B B8B B9B 112.8(17) . . . . ?
C9B B4B B8B B12B 147.4(14) . . . . ?
C9B B4B B9B B5B 101.0(17) . . . . ?
C9B B4B B9B B8B -119.9(17) . . . . ?
C9B B4B B9B B10B 139.7(15) . . . . ?
C9B B4B B9B B12B -156.1(14) . . . . ?
C10B C9B B4B C1B 69.3(18) . . . . ?
C10B C9B B4B B3B 136.6(14) . . . . ?
C10B C9B B4B B5B 2.0(17) . . . . ?
C10B C9B B4B B8B -150.6(15) . . . . ?
C10B C9B B4B B9B -70(2) . . . . ?
C10B C11B C12B C13B 176.3(14) . . . . ?
C10B C11B C16B C15B -174.0(16) . . . . ?
C11B C12B C13B C14B -2(3) . . . . ?
C12B C11B C16B C15B 1(3) . . . . ?
C12B C13B C14B C15B 0(3) . . . . ?
C13B C14B C15B C16B 2(3) . . . . ?
C14B C15B C16B C11B -3(3) . . . . ?
C16B C11B C12B C13B 1(3) . . . . ?
B3B C1B C2B C3B -108.5(12) . . . . ?
B3B C1B C2B B6B 146.4(10) . . . . ?
B3B C1B C2B B7B 39.9(10) . . . . ?
B3B C1B C2B B11B 105.0(11) . . . . ?
B3B C1B B4B C9B 112.3(15) . . . . ?
B3B C1B B4B B5B -146.6(11) . . . . ?
B3B C1B B4B B8B -36.4(11) . . . . ?
B3B C1B B4B B9B -103.0(13) . . . . ?
B3B C1B B5B B4B 33.7(11) . . . . ?
B3B C1B B5B B6B -107.9(12) . . . . ?
B3B C1B B5B B9B -5.9(15) . . . . ?
B3B C1B B5B B10B -65.1(14) . . . . ?
B3B C1B B6B C2B -33.3(10) . . . . ?
B3B C1B B6B B5B 107.8(12) . . . . ?
B3B C1B B6B B10B 64.7(12) . . . . ?
B3B C1B B6B B11B 4.2(13) . . . . ?
B3B C2B C3B C4B 89.2(13) . . . . ?
B3B C2B C3B C8B -91.6(14) . . . . ?
B3B C2B B6B C1B 31.1(9) . . . . ?
B3B C2B B6B B5B -3.4(12) . . . . ?
B3B C2B B6B B10B -65.9(11) . . . . ?
B3B C2B B6B B11B -104.6(11) . . . . ?
B3B C2B B7B B8B 37.1(11) . . . . ?
B3B C2B B7B B11B 141.2(11) . . . . ?
B3B C2B B7B B12B 101.9(11) . . . . ?
B3B C2B B11B B6B 104.4(11) . . . . ?
B3B C2B B11B B7B -36.7(10) . . . . ?
B3B C2B B11B B10B 65.1(13) . . . . ?
B3B C2B B11B B12B 2.8(13) . . . . ?
B3B B4B B5B C1B -29.2(9) . . . . ?
B3B B4B B5B B6B 4.0(14) . . . . ?
B3B B4B B5B B9B 102.7(12) . . . . ?
B3B B4B B5B B10B 66.6(12) . . . . ?
B3B B4B B8B B7B -41.0(12) . . . . ?
B3B B4B B8B B9B -138.0(12) . . . . ?
B3B B4B B8B B12B -103.5(12) . . . . ?
B3B B4B B9B B5B -102.1(13) . . . . ?
B3B B4B B9B B8B 37.0(11) . . . . ?
B3B B4B B9B B10B -63.4(16) . . . . ?
B3B B4B B9B B12B 0.8(18) . . . . ?
B3B B7B B8B B4B 41.5(12) . . . . ?
B3B B7B B8B B9B 100.6(13) . . . . ?
B3B B7B B8B B12B 137.4(13) . . . . ?
B3B B7B B11B C2B 34.6(9) . . . . ?
B3B B7B B11B B6B 0.7(13) . . . . ?
B3B B7B B11B B10B -62.1(12) . . . . ?
B3B B7B B11B B12B -100.7(11) . . . . ?
B3B B7B B12B B8B -37.7(11) . . . . ?
B3B B7B B12B B9B 0.7(15) . . . . ?
B3B B7B B12B B10B 62.5(13) . . . . ?
B3B B7B B12B B11B 101.5(11) . . . . ?
B3B B8B B9B B4B -38.2(11) . . . . ?
B3B B8B B9B B5B -1.5(14) . . . . ?
B3B B8B B9B B10B 63.3(13) . . . . ?
B3B B8B B9B B12B 101.6(11) . . . . ?
B3B B8B B12B B7B 38.7(12) . . . . ?
B3B B8B B12B B9B -98.7(14) . . . . ?
B3B B8B B12B B10B -61.3(15) . . . . ?
B3B B8B B12B B11B 2.5(17) . . . . ?
B4B C1B C2B C3B -149.9(11) . . . . ?
B4B C1B C2B B3B -41.3(11) . . . . ?
B4B C1B C2B B6B 105.1(12) . . . . ?
B4B C1B C2B B7B -1.4(14) . . . . ?
B4B C1B C2B B11B 63.7(14) . . . . ?
B4B C1B B3B C2B 137.5(10) . . . . ?
B4B C1B B3B B7B 100.0(11) . . . . ?
B4B C1B B3B B8B 37.8(10) . . . . ?
B4B C1B B5B B6B -141.6(11) . . . . ?
B4B C1B B5B B9B -39.6(11) . . . . ?
B4B C1B B5B B10B -98.8(12) . . . . ?
B4B C1B B6B C2B -105.0(12) . . . . ?
B4B C1B B6B B5B 36.1(11) . . . . ?
B4B C1B B6B B10B -7.0(14) . . . . ?
B4B C1B B6B B11B -67.4(13) . . . . ?
B4B C9B C10B O1B -95.9(17) . . . . ?
B4B C9B C10B C11B 97.6(17) . . . . ?
B4B B3B B7B C2B 98.1(12) . . . . ?
B4B B3B B7B B8B -39.4(12) . . . . ?
B4B B3B B7B B11B 63.0(13) . . . . ?
B4B B3B B7B B12B -0.3(15) . . . . ?
B4B B3B B8B B7B 135.0(13) . . . . ?
B4B B3B B8B B9B 35.4(11) . . . . ?
B4B B3B B8B B12B 97.0(15) . . . . ?
B4B B5B B6B C1B -33.8(9) . . . . ?
B4B B5B B6B C2B -0.5(13) . . . . ?
B4B B5B B6B B10B 96.2(12) . . . . ?
B4B B5B B6B B11B 60.9(12) . . . . ?
B4B B5B B9B B8B -36.6(11) . . . . ?
B4B B5B B9B B10B -137.4(12) . . . . ?
B4B B5B B9B B12B -100.8(14) . . . . ?
B4B B5B B10B B6B -101.9(11) . . . . ?
B4B B5B B10B B9B 35.7(10) . . . . ?
B4B B5B B10B B11B -64.9(13) . . . . ?
B4B B5B B10B B12B -1.2(12) . . . . ?
B4B B8B B9B B5B 36.8(11) . . . . ?
B4B B8B B9B B10B 101.6(13) . . . . ?
B4B B8B B9B B12B 139.9(13) . . . . ?
B4B B8B B12B B7B 103.9(12) . . . . ?
B4B B8B B12B B9B -33.5(11) . . . . ?
B4B B8B B12B B10B 3.9(14) . . . . ?
B4B B8B B12B B11B 67.7(14) . . . . ?
B4B B9B B10B B5B -38.3(11) . . . . ?
B4B B9B B10B B6B -0.7(17) . . . . ?
B4B B9B B10B B11B 64.7(15) . . . . ?
B4B B9B B10B B12B 101.6(14) . . . . ?
B4B B9B B12B B7B -0.9(17) . . . . ?
B4B B9B B12B B8B 36.1(12) . . . . ?
B4B B9B B12B B10B -101.2(14) . . . . ?
B4B B9B B12B B11B -64.0(16) . . . . ?
B5B C1B C2B C3B 142.9(11) . . . . ?
B5B C1B C2B B3B -108.5(12) . . . . ?
B5B C1B C2B B6B 37.8(11) . . . . ?
B5B C1B C2B B7B -68.6(14) . . . . ?
B5B C1B C2B B11B -3.5(15) . . . . ?
B5B C1B B3B C2B 104.9(11) . . . . ?
B5B C1B B3B B4B -32.6(11) . . . . ?
B5B C1B B3B B7B 67.4(13) . . . . ?
B5B C1B B3B B8B 5.2(14) . . . . ?
B5B C1B B4B C9B -101.1(15) . . . . ?
B5B C1B B4B B3B 146.6(11) . . . . ?
B5B C1B B4B B8B 110.2(12) . . . . ?
B5B C1B B4B B9B 43.7(12) . . . . ?
B5B C1B B6B C2B -141.1(10) . . . . ?
B5B C1B B6B B10B -43.1(10) . . . . ?
B5B C1B B6B B11B -103.5(11) . . . . ?
B5B B4B B8B B3B 98.5(13) . . . . ?
B5B B4B B8B B7B 57.6(16) . . . . ?
B5B B4B B8B B9B -39.5(11) . . . . ?
B5B B4B B8B B12B -5.0(15) . . . . ?
B5B B4B B9B B8B 139.2(12) . . . . ?
B5B B4B B9B B10B 38.7(12) . . . . ?
B5B B4B B9B B12B 102.9(13) . . . . ?
B5B B6B B10B B9B -38.3(12) . . . . ?
B5B B6B B10B B11B -140.0(13) . . . . ?
B5B B6B B10B B12B -103.0(13) . . . . ?
B5B B6B B11B C2B -98.8(11) . . . . ?
B5B B6B B11B B7B -64.8(12) . . . . ?
B5B B6B B11B B10B 35.9(11) . . . . ?
B5B B6B B11B B12B -1.0(14) . . . . ?
B5B B9B B10B B6B 37.6(10) . . . . ?
B5B B9B B10B B11B 103.0(11) . . . . ?
B5B B9B B10B B12B 139.9(11) . . . . ?
B5B B9B B12B B7B 63.4(15) . . . . ?
B5B B9B B12B B8B 100.4(12) . . . . ?
B5B B9B B12B B10B -36.9(11) . . . . ?
B5B B9B B12B B11B 0.3(16) . . . . ?
B5B B10B B11B C2B 2.5(15) . . . . ?
B5B B10B B11B B6B -36.1(11) . . . . ?
B5B B10B B11B B7B 63.6(14) . . . . ?
B5B B10B B11B B12B 102.6(13) . . . . ?
B5B B10B B12B B7B -63.0(12) . . . . ?
B5B B10B B12B B8B -1.7(14) . . . . ?
B5B B10B B12B B9B 36.9(9) . . . . ?
B5B B10B B12B B11B -101.6(10) . . . . ?
B6B C1B C2B C3B 105.1(12) . . . . ?
B6B C1B C2B B3B -146.4(10) . . . . ?
B6B C1B C2B B7B -106.5(10) . . . . ?
B6B C1B C2B B11B -41.4(10) . . . . ?
B6B C1B B3B C2B 33.6(10) . . . . ?
B6B C1B B3B B4B -103.9(11) . . . . ?
B6B C1B B3B B7B -3.9(14) . . . . ?
B6B C1B B3B B8B -66.1(13) . . . . ?
B6B C1B B4B C9B -138.0(13) . . . . ?
B6B C1B B4B B3B 109.8(11) . . . . ?
B6B C1B B4B B5B -36.8(11) . . . . ?
B6B C1B B4B B8B 73.4(14) . . . . ?
B6B C1B B4B B9B 6.8(16) . . . . ?
B6B C1B B5B B4B 141.6(11) . . . . ?
B6B C1B B5B B9B 102.0(11) . . . . ?
B6B C1B B5B B10B 42.8(10) . . . . ?
B6B C2B C3B C4B -131.2(11) . . . . ?
B6B C2B C3B C8B 48.1(14) . . . . ?
B6B C2B B3B C1B -31.1(9) . . . . ?
B6B C2B B3B B4B 5.7(13) . . . . ?
B6B C2B B3B B7B 105.5(10) . . . . ?
B6B C2B B3B B8B 67.9(13) . . . . ?
B6B C2B B7B B3B -103.5(11) . . . . ?
B6B C2B B7B B8B -66.5(13) . . . . ?
B6B C2B B7B B11B 37.6(10) . . . . ?
B6B C2B B7B B12B -1.6(13) . . . . ?
B6B C2B B11B B7B -141.1(11) . . . . ?
B6B C2B B11B B10B -39.3(10) . . . . ?
B6B C2B B11B B12B -101.6(11) . . . . ?
B6B B5B B9B B4B 99.9(12) . . . . ?
B6B B5B B9B B8B 63.3(14) . . . . ?
B6B B5B B9B B10B -37.5(10) . . . . ?
B6B B5B B9B B12B -1.0(16) . . . . ?
B6B B5B B10B B9B 137.7(12) . . . . ?
B6B B5B B10B B11B 37.0(11) . . . . ?
B6B B5B B10B B12B 100.7(11) . . . . ?
B6B B10B B11B C2B 38.6(10) . . . . ?
B6B B10B B11B B7B 99.7(11) . . . . ?
B6B B10B B11B B12B 138.7(12) . . . . ?
B6B B10B B12B B7B 0.7(14) . . . . ?
B6B B10B B12B B8B 62.0(13) . . . . ?
B6B B10B B12B B9B 100.6(12) . . . . ?
B6B B10B B12B B11B -38.0(10) . . . . ?
B6B B11B B12B B7B -99.7(10) . . . . ?
B6B B11B B12B B8B -64.2(14) . . . . ?
B6B B11B B12B B9B 0.4(14) . . . . ?
B6B B11B B12B B10B 36.8(10) . . . . ?
B7B C2B C3B C4B 15.5(17) . . . . ?
B7B C2B C3B C8B -165.3(10) . . . . ?
B7B C2B B3B C1B -136.6(11) . . . . ?
B7B C2B B3B B4B -99.8(11) . . . . ?
B7B C2B B3B B8B -37.6(11) . . . . ?
B7B C2B B6B C1B 99.1(11) . . . . ?
B7B C2B B6B B5B 64.6(12) . . . . ?
B7B C2B B6B B10B 2.0(13) . . . . ?
B7B C2B B6B B11B -36.7(10) . . . . ?
B7B C2B B11B B6B 141.1(11) . . . . ?
B7B C2B B11B B10B 101.9(12) . . . . ?
B7B C2B B11B B12B 39.5(10) . . . . ?
B7B B3B B4B C1B -97.6(11) . . . . ?
B7B B3B B4B C9B 156.6(13) . . . . ?
B7B B3B B4B B5B -67.3(14) . . . . ?
B7B B3B B4B B8B 39.4(11) . . . . ?
B7B B3B B4B B9B -0.3(16) . . . . ?
B7B B3B B8B B4B -135.0(13) . . . . ?
B7B B3B B8B B9B -99.6(12) . . . . ?
B7B B3B B8B B12B -38.0(11) . . . . ?
B7B B8B B9B B4B -102.4(13) . . . . ?
B7B B8B B9B B5B -65.6(14) . . . . ?
B7B B8B B9B B10B -0.8(15) . . . . ?
B7B B8B B9B B12B 37.5(10) . . . . ?
B7B B8B B12B B9B -137.4(12) . . . . ?
B7B B8B B12B B10B -100.0(11) . . . . ?
B7B B8B B12B B11B -36.2(11) . . . . ?
B7B B11B B12B B8B 35.5(11) . . . . ?
B7B B11B B12B B9B 100.1(12) . . . . ?
B7B B11B B12B B10B 136.5(11) . . . . ?
B8B B3B B4B C1B -137.0(12) . . . . ?
B8B B3B B4B C9B 117.2(17) . . . . ?
B8B B3B B4B B5B -106.7(13) . . . . ?
B8B B3B B4B B9B -39.7(12) . . . . ?
B8B B3B B7B C2B 137.4(13) . . . . ?
B8B B3B B7B B11B 102.3(13) . . . . ?
B8B B3B B7B B12B 39.0(12) . . . . ?
B8B B4B B5B C1B -91.8(12) . . . . ?
B8B B4B B5B B6B -58.7(14) . . . . ?
B8B B4B B5B B9B 40.1(11) . . . . ?
B8B B4B B5B B10B 3.9(14) . . . . ?
B8B B4B B9B B5B -139.2(12) . . . . ?
B8B B4B B9B B10B -100.4(13) . . . . ?
B8B B4B B9B B12B -36.3(12) . . . . ?
B8B B7B B11B C2B 97.4(11) . . . . ?
B8B B7B B11B B6B 63.5(13) . . . . ?
B8B B7B B11B B10B 0.8(13) . . . . ?
B8B B7B B11B B12B -37.9(10) . . . . ?
B8B B7B B12B B9B 38.4(12) . . . . ?
B8B B7B B12B B10B 100.2(12) . . . . ?
B8B B7B B12B B11B 139.2(12) . . . . ?
B8B B9B B10B B5B -101.6(11) . . . . ?
B8B B9B B10B B6B -64.0(14) . . . . ?
B8B B9B B10B B11B 1.3(14) . . . . ?
B8B B9B B10B B12B 38.3(10) . . . . ?
B8B B9B B12B B7B -37.0(11) . . . . ?
B8B B9B B12B B10B -137.3(11) . . . . ?
B8B B9B B12B B11B -100.0(11) . . . . ?
B9B B4B B5B C1B -131.9(12) . . . . ?
B9B B4B B5B B6B -98.7(12) . . . . ?
B9B B4B B5B B10B -36.1(10) . . . . ?
B9B B4B B8B B3B 138.0(12) . . . . ?
B9B B4B B8B B7B 97.1(13) . . . . ?
B9B B4B B8B B12B 34.5(11) . . . . ?
B9B B5B B6B C1B -93.6(12) . . . . ?
B9B B5B B6B C2B -60.3(12) . . . . ?
B9B B5B B6B B10B 36.5(11) . . . . ?
B9B B5B B6B B11B 1.2(14) . . . . ?
B9B B5B B10B B6B -137.7(12) . . . . ?
B9B B5B B10B B11B -100.7(13) . . . . ?
B9B B5B B10B B12B -36.9(10) . . . . ?
B9B B8B B12B B7B 137.4(12) . . . . ?
B9B B8B B12B B10B 37.4(10) . . . . ?
B9B B8B B12B B11B 101.2(12) . . . . ?
B9B B10B B11B C2B -62.5(13) . . . . ?
B9B B10B B11B B6B -101.0(12) . . . . ?
B9B B10B B11B B7B -1.3(13) . . . . ?
B9B B10B B11B B12B 37.6(10) . . . . ?
B9B B10B B12B B7B -99.9(11) . . . . ?
B9B B10B B12B B8B -38.6(10) . . . . ?
B9B B10B B12B B11B -138.5(11) . . . . ?
B10B B5B B6B C1B -130.0(12) . . . . ?
B10B B5B B6B C2B -96.7(11) . . . . ?
B10B B5B B6B B11B -35.3(10) . . . . ?
B10B B5B B9B B4B 137.4(12) . . . . ?
B10B B5B B9B B8B 100.8(12) . . . . ?
B10B B5B B9B B12B 36.6(11) . . . . ?
B10B B6B B11B C2B -134.7(11) . . . . ?
B10B B6B B11B B7B -100.7(12) . . . . ?
B10B B6B B11B B12B -36.9(10) . . . . ?
B10B B9B B12B B7B 100.3(11) . . . . ?
B10B B9B B12B B8B 137.3(11) . . . . ?
B10B B9B B12B B11B 37.3(10) . . . . ?
B10B B11B B12B B7B -136.5(11) . . . . ?
B10B B11B B12B B8B -101.0(12) . . . . ?
B10B B11B B12B B9B -36.4(11) . . . . ?
B11B C2B C3B C4B -57.7(15) . . . . ?
B11B C2B C3B C8B 121.5(11) . . . . ?
B11B C2B B3B C1B -100.2(10) . . . . ?
B11B C2B B3B B4B -63.4(12) . . . . ?
B11B C2B B3B B7B 36.4(10) . . . . ?
B11B C2B B3B B8B -1.2(15) . . . . ?
B11B C2B B6B C1B 135.8(10) . . . . ?
B11B C2B B6B B5B 101.3(11) . . . . ?
B11B C2B B6B B10B 38.7(9) . . . . ?
B11B C2B B7B B3B -141.2(11) . . . . ?
B11B C2B B7B B8B -104.1(12) . . . . ?
B11B C2B B7B B12B -39.2(10) . . . . ?
B11B B6B B10B B5B 140.0(13) . . . . ?
B11B B6B B10B B9B 101.7(13) . . . . ?
B11B B6B B10B B12B 37.0(10) . . . . ?
B11B B7B B8B B3B -100.5(12) . . . . ?
B11B B7B B8B B4B -59.1(14) . . . . ?
B11B B7B B8B B9B 0.0(14) . . . . ?
B11B B7B B8B B12B 36.9(10) . . . . ?
B11B B7B B12B B8B -139.2(12) . . . . ?
B11B B7B B12B B9B -100.7(12) . . . . ?
B11B B7B B12B B10B -39.0(10) . . . . ?
B11B B10B B12B B7B 38.6(9) . . . . ?
B11B B10B B12B B8B 99.9(11) . . . . ?
B11B B10B B12B B9B 138.5(11) . . . . ?
B12B B7B B8B B3B -137.4(13) . . . . ?
B12B B7B B8B B4B -95.9(14) . . . . ?
B12B B7B B8B B9B -36.8(10) . . . . ?
B12B B7B B11B C2B 135.3(11) . . . . ?
B12B B7B B11B B6B 101.4(11) . . . . ?
B12B B7B B11B B10B 38.7(9) . . . . ?
B12B B8B B9B B4B -139.9(13) . . . . ?
B12B B8B B9B B5B -103.1(12) . . . . ?
B12B B8B B9B B10B -38.3(10) . . . . ?
B12B B9B B10B B5B -139.9(11) . . . . ?
B12B B9B B10B B6B -102.3(11) . . . . ?
B12B B9B B10B B11B -36.9(9) . . . . ?
B12B B10B B11B C2B -100.1(11) . . . . ?
B12B B10B B11B B6B -138.7(12) . . . . ?
B12B B10B B11B B7B -39.0(10) . . . . ?
O1C C10C C11C C12C -29.1(17) . . . . ?
O1C C10C C11C C16C 147.6(12) . . . . ?
C1C C2C C3C C4C -145.5(11) . . . . ?
C1C C2C C3C C8C 33.6(17) . . . . ?
C1C C2C B3C B4C -32.2(8) . . . . ?
C1C C2C B3C B7C -135.3(9) . . . . ?
C1C C2C B3C B8C -95.3(9) . . . . ?
C1C C2C B6C B5C 33.7(9) . . . . ?
C1C C2C B6C B10C 98.1(11) . . . . ?
C1C C2C B6C B11C 135.9(11) . . . . ?
C1C C2C B7C B3C 40.8(9) . . . . ?
C1C C2C B7C B8C 2.5(12) . . . . ?
C1C C2C B7C B11C -101.0(11) . . . . ?
C1C C2C B7C B12C -59.1(12) . . . . ?
C1C C2C B11C B6C -39.9(9) . . . . ?
C1C C2C B11C B7C 102.3(10) . . . . ?
C1C C2C B11C B10C -0.7(12) . . . . ?
C1C C2C B11C B12C 62.7(11) . . . . ?
C1C B3C B4C C9C 107.3(12) . . . . ?
C1C B3C B4C B5C -33.2(9) . . . . ?
C1C B3C B4C B8C -132.9(10) . . . . ?
C1C B3C B4C B9C -94.4(11) . . . . ?
C1C B3C B7C C2C -37.2(8) . . . . ?
C1C B3C B7C B8C 98.5(9) . . . . ?
C1C B3C B7C B11C -3.2(12) . . . . ?
C1C B3C B7C B12C 62.3(11) . . . . ?
C1C B3C B8C B4C 39.5(9) . . . . ?
C1C B3C B8C B7C -97.6(10) . . . . ?
C1C B3C B8C B9C 0.1(12) . . . . ?
C1C B3C B8C B12C -61.8(11) . . . . ?
C1C B4C B5C B6C -31.2(9) . . . . ?
C1C B4C B5C B9C -131.1(12) . . . . ?
C1C B4C B5C B10C -92.4(11) . . . . ?
C1C B4C B8C B3C -39.6(8) . . . . ?
C1C B4C B8C B7C -1.6(12) . . . . ?
C1C B4C B8C B9C 95.7(11) . . . . ?
C1C B4C B8C B12C 59.8(11) . . . . ?
C1C B4C B9C B5C 40.4(9) . . . . ?
C1C B4C B9C B8C -98.0(10) . . . . ?
C1C B4C B9C B10C 2.5(13) . . . . ?
C1C B4C B9C B12C -61.1(12) . . . . ?
C1C B5C B6C C2C -33.6(8) . . . . ?
C1C B5C B6C B10C -132.6(11) . . . . ?
C1C B5C B6C B11C -96.0(11) . . . . ?
C1C B5C B9C B4C -41.3(10) . . . . ?
C1C B5C B9C B8C -3.0(15) . . . . ?
C1C B5C B9C B10C 96.8(11) . . . . ?
C1C B5C B9C B12C 61.3(13) . . . . ?
C1C B5C B10C B6C 40.0(9) . . . . ?
C1C B5C B10C B9C -98.5(10) . . . . ?
C1C B5C B10C B11C 1.5(13) . . . . ?
C1C B5C B10C B12C -64.7(11) . . . . ?
C1C B6C B10C B5C -40.0(10) . . . . ?
C1C B6C B10C B9C -4.2(14) . . . . ?
C1C B6C B10C B11C 98.1(11) . . . . ?
C1C B6C B10C B12C 56.6(14) . . . . ?
C1C B6C B11C C2C 37.3(9) . . . . ?
C1C B6C B11C B7C 3.4(14) . . . . ?
C1C B6C B11C B10C -98.6(11) . . . . ?
C1C B6C B11C B12C -58.6(12) . . . . ?
C2C C1C B3C B4C 142.5(10) . . . . ?
C2C C1C B3C B7C 38.1(8) . . . . ?
C2C C1C B3C B8C 101.6(9) . . . . ?
C2C C1C B4C C9C -142.2(11) . . . . ?
C2C C1C B4C B3C -36.4(9) . . . . ?
C2C C1C B4C B5C 105.0(11) . . . . ?
C2C C1C B4C B8C 3.4(12) . . . . ?
C2C C1C B4C B9C 63.9(12) . . . . ?
C2C C1C B5C B4C -107.7(11) . . . . ?
C2C C1C B5C B6C 37.3(9) . . . . ?
C2C C1C B5C B9C -65.6(13) . . . . ?
C2C C1C B5C B10C -2.0(12) . . . . ?
C2C C1C B6C B5C -140.7(10) . . . . ?
C2C C1C B6C B10C -98.6(11) . . . . ?
C2C C1C B6C B11C -38.3(9) . . . . ?
C2C C3C C4C C5C -179.9(11) . . . . ?
C2C C3C C8C C7C 178.3(13) . . . . ?
C2C B3C B4C C1C 31.9(8) . . . . ?
C2C B3C B4C C9C 139.2(11) . . . . ?
C2C B3C B4C B5C -1.2(12) . . . . ?
C2C B3C B4C B8C -101.0(10) . . . . ?
C2C B3C B4C B9C -62.4(11) . . . . ?
C2C B3C B7C B8C 135.7(10) . . . . ?
C2C B3C B7C B11C 33.9(9) . . . . ?
C2C B3C B7C B12C 99.5(10) . . . . ?
C2C B3C B8C B4C 98.4(10) . . . . ?
C2C B3C B8C B7C -38.6(9) . . . . ?
C2C B3C B8C B9C 59.1(12) . . . . ?
C2C B3C B8C B12C -2.8(12) . . . . ?
C2C B6C B10C B5C -99.6(11) . . . . ?
C2C B6C B10C B9C -63.8(13) . . . . ?
C2C B6C B10C B11C 38.5(10) . . . . ?
C2C B6C B10C B12C -3.0(15) . . . . ?
C2C B6C B11C B7C -33.9(9) . . . . ?
C2C B6C B11C B10C -135.8(11) . . . . ?
C2C B6C B11C B12C -95.9(10) . . . . ?
C2C B7C B8C B3C 38.4(8) . . . . ?
C2C B7C B8C B4C -0.4(12) . . . . ?
C2C B7C B8C B9C -62.8(11) . . . . ?
C2C B7C B8C B12C -100.3(11) . . . . ?
C2C B7C B11C B6C 33.9(10) . . . . ?
C2C B7C B11C B10C 98.2(11) . . . . ?
C2C B7C B11C B12C 133.5(11) . . . . ?
C2C B7C B12C B8C 98.1(10) . . . . ?
C2C B7C B12C B9C 58.5(13) . . . . ?
C2C B7C B12C B10C -7.9(15) . . . . ?
C2C B7C B12C B11C -40.5(10) . . . . ?
C2C B11C B12C B7C 40.0(9) . . . . ?
C2C B11C B12C B8C 1.3(13) . . . . ?
C2C B11C B12C B9C -63.2(12) . . . . ?
C2C B11C B12C B10C -101.4(12) . . . . ?
C3C C2C B3C C1C -106.5(10) . . . . ?
C3C C2C B3C B4C -138.7(10) . . . . ?
C3C C2C B3C B7C 118.2(11) . . . . ?
C3C C2C B3C B8C 158.1(9) . . . . ?
C3C C2C B6C C1C 106.6(11) . . . . ?
C3C C2C B6C B5C 140.3(11) . . . . ?
C3C C2C B6C B10C -155.3(11) . . . . ?
C3C C2C B6C B11C -117.5(12) . . . . ?
C3C C2C B7C B3C -103.6(13) . . . . ?
C3C C2C B7C B8C -141.9(11) . . . . ?
C3C C2C B7C B11C 114.6(13) . . . . ?
C3C C2C B7C B12C 156.5(12) . . . . ?
C3C C2C B11C B6C 102.6(12) . . . . ?
C3C C2C B11C B7C -115.2(12) . . . . ?
C3C C2C B11C B10C 141.8(11) . . . . ?
C3C C2C B11C B12C -154.8(10) . . . . ?
C3C C4C C5C C6C -1(2) . . . . ?
C4C C3C C8C C7C -3(2) . . . . ?
C4C C5C C6C C7C 2(2) . . . . ?
C5C C6C C7C C8C -3(2) . . . . ?
C6C C7C C8C C3C 4(2) . . . . ?
C8C C3C C4C C5C 0.9(19) . . . . ?
C9C C10C C11C C12C 151.1(12) . . . . ?
C9C C10C C11C C16C -32.2(17) . . . . ?
C9C B4C B5C C1C -104.0(12) . . . . ?
C9C B4C B5C B6C -135.3(12) . . . . ?
C9C B4C B5C B9C 124.9(13) . . . . ?
C9C B4C B5C B10C 163.6(11) . . . . ?
C9C B4C B8C B3C 101.0(13) . . . . ?
C9C B4C B8C B7C 139.0(11) . . . . ?
C9C B4C B8C B9C -123.7(14) . . . . ?
C9C B4C B8C B12C -159.5(11) . . . . ?
C9C B4C B9C B5C -107.0(17) . . . . ?
C9C B4C B9C B8C 114.6(17) . . . . ?
C9C B4C B9C B10C -144.8(15) . . . . ?
C9C B4C B9C B12C 151.5(15) . . . . ?
C10C C9C B4C C1C -113.8(12) . . . . ?
C10C C9C B4C B3C 180.0(10) . . . . ?
C10C C9C B4C B5C -46.6(16) . . . . ?
C10C C9C B4C B8C 110.5(14) . . . . ?
C10C C9C B4C B9C 30(2) . . . . ?
C10C C11C C12C C13C -179.6(10) . . . . ?
C10C C11C C16C C15C -176.1(11) . . . . ?
C11C C12C C13C C14C -6.2(18) . . . . ?
C12C C11C C16C C15C 0.7(17) . . . . ?
C12C C13C C14C C15C 4.2(19) . . . . ?
C13C C14C C15C C16C 0.2(19) . . . . ?
C14C C15C C16C C11C -2.6(18) . . . . ?
C16C C11C C12C C13C 3.6(17) . . . . ?
B3C C1C C2C C3C 107.0(11) . . . . ?
B3C C1C C2C B6C -146.5(10) . . . . ?
B3C C1C C2C B7C -41.2(9) . . . . ?
B3C C1C C2C B11C -106.5(9) . . . . ?
B3C C1C B4C C9C -105.8(12) . . . . ?
B3C C1C B4C B5C 141.4(11) . . . . ?
B3C C1C B4C B8C 39.8(8) . . . . ?
B3C C1C B4C B9C 100.2(10) . . . . ?
B3C C1C B5C B4C -38.8(11) . . . . ?
B3C C1C B5C B6C 106.2(12) . . . . ?
B3C C1C B5C B9C 3.3(15) . . . . ?
B3C C1C B5C B10C 66.9(12) . . . . ?
B3C C1C B6C C2C 32.5(9) . . . . ?
B3C C1C B6C B5C -108.3(10) . . . . ?
B3C C1C B6C B10C -66.1(13) . . . . ?
B3C C1C B6C B11C -5.9(14) . . . . ?
B3C C2C C3C C4C -76.3(14) . . . . ?
B3C C2C C3C C8C 102.8(14) . . . . ?
B3C C2C B6C C1C -32.1(9) . . . . ?
B3C C2C B6C B5C 1.6(13) . . . . ?
B3C C2C B6C B10C 66.0(13) . . . . ?
B3C C2C B6C B11C 103.8(11) . . . . ?
B3C C2C B7C B8C -38.3(9) . . . . ?
B3C C2C B7C B11C -141.9(11) . . . . ?
B3C C2C B7C B12C -99.9(12) . . . . ?
B3C C2C B11C B6C -105.9(11) . . . . ?
B3C C2C B11C B7C 36.4(10) . . . . ?
B3C C2C B11C B10C -66.7(12) . . . . ?
B3C C2C B11C B12C -3.2(13) . . . . ?
B3C B4C B5C C1C 33.5(9) . . . . ?
B3C B4C B5C B6C 2.3(13) . . . . ?
B3C B4C B5C B9C -97.6(11) . . . . ?
B3C B4C B5C B10C -58.9(12) . . . . ?
B3C B4C B8C B7C 38.0(9) . . . . ?
B3C B4C B8C B9C 135.3(11) . . . . ?
B3C B4C B8C B12C 99.5(10) . . . . ?
B3C B4C B9C B5C 100.1(11) . . . . ?
B3C B4C B9C B8C -38.3(9) . . . . ?
B3C B4C B9C B10C 62.3(12) . . . . ?
B3C B4C B9C B12C -1.3(14) . . . . ?
B3C B7C B8C B4C -38.8(9) . . . . ?
B3C B7C B8C B9C -101.1(10) . . . . ?
B3C B7C B8C B12C -138.7(10) . . . . ?
B3C B7C B11C C2C -33.9(9) . . . . ?
B3C B7C B11C B6C -0.1(14) . . . . ?
B3C B7C B11C B10C 64.2(13) . . . . ?
B3C B7C B11C B12C 99.6(11) . . . . ?
B3C B7C B12C B8C 36.2(9) . . . . ?
B3C B7C B12C B9C -3.4(14) . . . . ?
B3C B7C B12C B10C -69.8(13) . . . . ?
B3C B7C B12C B11C -102.3(10) . . . . ?
B3C B8C B9C B4C 40.1(10) . . . . ?
B3C B8C B9C B5C 1.8(15) . . . . ?
B3C B8C B9C B10C -62.3(13) . . . . ?
B3C B8C B9C B12C -99.2(10) . . . . ?
B3C B8C B12C B7C -36.3(9) . . . . ?
B3C B8C B12C B9C 100.3(10) . . . . ?
B3C B8C B12C B10C 61.1(13) . . . . ?
B3C B8C B12C B11C 0.9(13) . . . . ?
B4C C1C C2C C3C 144.3(10) . . . . ?
B4C C1C C2C B3C 37.3(10) . . . . ?
B4C C1C C2C B6C -109.2(11) . . . . ?
B4C C1C C2C B7C -3.9(13) . . . . ?
B4C C1C C2C B11C -69.2(12) . . . . ?
B4C C1C B3C C2C -142.5(10) . . . . ?
B4C C1C B3C B7C -104.4(10) . . . . ?
B4C C1C B3C B8C -40.9(9) . . . . ?
B4C C1C B5C B6C 145.0(11) . . . . ?
B4C C1C B5C B9C 42.1(10) . . . . ?
B4C C1C B5C B10C 105.7(10) . . . . ?
B4C C1C B6C C2C 105.2(11) . . . . ?
B4C C1C B6C B5C -35.6(10) . . . . ?
B4C C1C B6C B10C 6.6(15) . . . . ?
B4C C1C B6C B11C 66.9(13) . . . . ?
B4C C9C C10C O1C 79.6(15) . . . . ?
B4C C9C C10C C11C -100.6(15) . . . . ?
B4C B3C B7C C2C -96.9(10) . . . . ?
B4C B3C B7C B8C 38.8(9) . . . . ?
B4C B3C B7C B11C -63.0(12) . . . . ?
B4C B3C B7C B12C 2.5(13) . . . . ?
B4C B3C B8C B7C -137.1(10) . . . . ?
B4C B3C B8C B9C -39.4(10) . . . . ?
B4C B3C B8C B12C -101.2(11) . . . . ?
B4C B5C B6C C1C 31.2(10) . . . . ?
B4C B5C B6C C2C -2.4(13) . . . . ?
B4C B5C B6C B10C -101.5(11) . . . . ?
B4C B5C B6C B11C -64.9(13) . . . . ?
B4C B5C B9C B8C 38.4(10) . . . . ?
B4C B5C B9C B10C 138.2(11) . . . . ?
B4C B5C B9C B12C 102.6(11) . . . . ?
B4C B5C B10C B6C 100.7(11) . . . . ?
B4C B5C B10C B9C -37.8(9) . . . . ?
B4C B5C B10C B11C 62.1(12) . . . . ?
B4C B5C B10C B12C -4.0(13) . . . . ?
B4C B8C B9C B5C -38.3(11) . . . . ?
B4C B8C B9C B10C -102.4(11) . . . . ?
B4C B8C B9C B12C -139.3(11) . . . . ?
B4C B8C B12C B7C -100.6(9) . . . . ?
B4C B8C B12C B9C 36.1(9) . . . . ?
B4C B8C B12C B10C -3.1(13) . . . . ?
B4C B8C B12C B11C -63.3(12) . . . . ?
B4C B9C B10C B5C 38.2(10) . . . . ?
B4C B9C B10C B6C 1.0(15) . . . . ?
B4C B9C B10C B11C -63.9(14) . . . . ?
B4C B9C B10C B12C -102.3(11) . . . . ?
B4C B9C B12C B7C 3.0(15) . . . . ?
B4C B9C B12C B8C -37.4(10) . . . . ?
B4C B9C B12C B10C 101.1(12) . . . . ?
B4C B9C B12C B11C 66.0(13) . . . . ?
B5C C1C C2C C3C -144.6(10) . . . . ?
B5C C1C C2C B3C 108.4(10) . . . . ?
B5C C1C C2C B6C -38.1(10) . . . . ?
B5C C1C C2C B7C 67.2(12) . . . . ?
B5C C1C C2C B11C 1.8(12) . . . . ?
B5C C1C B3C C2C -103.8(12) . . . . ?
B5C C1C B3C B4C 38.7(11) . . . . ?
B5C C1C B3C B7C -65.7(13) . . . . ?
B5C C1C B3C B8C -2.2(14) . . . . ?
B5C C1C B4C C9C 112.8(13) . . . . ?
B5C C1C B4C B3C -141.4(11) . . . . ?
B5C C1C B4C B8C -101.6(11) . . . . ?
B5C C1C B4C B9C -41.1(10) . . . . ?
B5C C1C B6C C2C 140.7(10) . . . . ?
B5C C1C B6C B10C 42.1(10) . . . . ?
B5C C1C B6C B11C 102.4(12) . . . . ?
B5C B4C B8C B3C -99.0(10) . . . . ?
B5C B4C B8C B7C -61.0(11) . . . . ?
B5C B4C B8C B9C 36.3(9) . . . . ?
B5C B4C B8C B12C 0.5(12) . . . . ?
B5C B4C B9C B8C -138.4(11) . . . . ?
B5C B4C B9C B10C -37.8(10) . . . . ?
B5C B4C B9C B12C -101.5(12) . . . . ?
B5C B6C B10C B9C 35.9(10) . . . . ?
B5C B6C B10C B11C 138.1(11) . . . . ?
B5C B6C B10C B12C 96.6(12) . . . . ?
B5C B6C B11C C2C 97.6(11) . . . . ?
B5C B6C B11C B7C 63.6(13) . . . . ?
B5C B6C B11C B10C -38.3(10) . . . . ?
B5C B6C B11C B12C 1.7(13) . . . . ?
B5C B9C B10C B6C -37.2(10) . . . . ?
B5C B9C B10C B11C -102.1(12) . . . . ?
B5C B9C B10C B12C -140.5(11) . . . . ?
B5C B9C B12C B7C -62.3(14) . . . . ?
B5C B9C B12C B8C -102.7(11) . . . . ?
B5C B9C B12C B10C 35.8(10) . . . . ?
B5C B9C B12C B11C 0.7(14) . . . . ?
B5C B10C B11C C2C -0.5(13) . . . . ?
B5C B10C B11C B6C 38.2(10) . . . . ?
B5C B10C B11C B7C -63.2(13) . . . . ?
B5C B10C B11C B12C -97.5(12) . . . . ?
B5C B10C B12C B7C 70.8(13) . . . . ?
B5C B10C B12C B8C 4.4(14) . . . . ?
B5C B10C B12C B9C -33.9(9) . . . . ?
B5C B10C B12C B11C 104.7(11) . . . . ?
B6C C1C C2C C3C -106.5(11) . . . . ?
B6C C1C C2C B3C 146.5(10) . . . . ?
B6C C1C C2C B7C 105.3(10) . . . . ?
B6C C1C C2C B11C 39.9(9) . . . . ?
B6C C1C B3C C2C -32.4(9) . . . . ?
B6C C1C B3C B4C 110.1(11) . . . . ?
B6C C1C B3C B7C 5.7(12) . . . . ?
B6C C1C B3C B8C 69.2(12) . . . . ?
B6C C1C B4C C9C 148.2(12) . . . . ?
B6C C1C B4C B3C -106.0(12) . . . . ?
B6C C1C B4C B5C 35.4(11) . . . . ?
B6C C1C B4C B8C -66.2(12) . . . . ?
B6C C1C B4C B9C -5.7(14) . . . . ?
B6C C1C B5C B4C -145.0(11) . . . . ?
B6C C1C B5C B9C -102.9(13) . . . . ?
B6C C1C B5C B10C -39.3(10) . . . . ?
B6C C2C C3C C4C 145.9(12) . . . . ?
B6C C2C C3C C8C -35.0(17) . . . . ?
B6C C2C B3C C1C 32.0(9) . . . . ?
B6C C2C B3C B4C -0.2(13) . . . . ?
B6C C2C B3C B7C -103.3(11) . . . . ?
B6C C2C B3C B8C -63.4(12) . . . . ?
B6C C2C B7C B3C 106.5(11) . . . . ?
B6C C2C B7C B8C 68.1(11) . . . . ?
B6C C2C B7C B11C -35.4(11) . . . . ?
B6C C2C B7C B12C 6.6(14) . . . . ?
B6C C2C B11C B7C 142.2(11) . . . . ?
B6C C2C B11C B10C 39.2(10) . . . . ?
B6C C2C B11C B12C 102.6(12) . . . . ?
B6C B5C B9C B4C -102.3(11) . . . . ?
B6C B5C B9C B8C -63.9(14) . . . . ?
B6C B5C B9C B10C 35.9(10) . . . . ?
B6C B5C B9C B12C 0.3(14) . . . . ?
B6C B5C B10C B9C -138.5(11) . . . . ?
B6C B5C B10C B11C -38.5(10) . . . . ?
B6C B5C B10C B12C -104.7(11) . . . . ?
B6C B10C B11C C2C -38.7(10) . . . . ?
B6C B10C B11C B7C -101.4(11) . . . . ?
B6C B10C B11C B12C -135.7(11) . . . . ?
B6C B10C B12C B7C 6.9(16) . . . . ?
B6C B10C B12C B8C -59.4(14) . . . . ?
B6C B10C B12C B9C -97.7(12) . . . . ?
B6C B10C B12C B11C 40.8(11) . . . . ?
B6C B11C B12C B7C 101.8(11) . . . . ?
B6C B11C B12C B8C 63.1(13) . . . . ?
B6C B11C B12C B9C -1.5(13) . . . . ?
B6C B11C B12C B10C -39.6(10) . . . . ?
B7C C2C C3C C4C -3.1(18) . . . . ?
B7C C2C C3C C8C 176.0(12) . . . . ?
B7C C2C B3C C1C 135.3(9) . . . . ?
B7C C2C B3C B4C 103.1(10) . . . . ?
B7C C2C B3C B8C 40.0(9) . . . . ?
B7C C2C B6C C1C -100.4(10) . . . . ?
B7C C2C B6C B5C -66.7(13) . . . . ?
B7C C2C B6C B10C -2.2(14) . . . . ?
B7C C2C B6C B11C 35.5(10) . . . . ?
B7C C2C B11C B6C -142.2(11) . . . . ?
B7C C2C B11C B10C -103.0(12) . . . . ?
B7C C2C B11C B12C -39.6(9) . . . . ?
B7C B3C B4C C1C 93.6(10) . . . . ?
B7C B3C B4C C9C -159.1(11) . . . . ?
B7C B3C B4C B5C 60.4(11) . . . . ?
B7C B3C B4C B8C -39.3(9) . . . . ?
B7C B3C B4C B9C -0.8(13) . . . . ?
B7C B3C B8C B4C 137.1(10) . . . . ?
B7C B3C B8C B9C 97.7(11) . . . . ?
B7C B3C B8C B12C 35.8(10) . . . . ?
B7C B8C B9C B4C 102.1(10) . . . . ?
B7C B8C B9C B5C 63.9(13) . . . . ?
B7C B8C B9C B10C -0.3(12) . . . . ?
B7C B8C B9C B12C -37.2(9) . . . . ?
B7C B8C B12C B9C 136.6(10) . . . . ?
B7C B8C B12C B10C 97.4(11) . . . . ?
B7C B8C B12C B11C 37.2(9) . . . . ?
B7C B11C B12C B8C -38.7(10) . . . . ?
B7C B11C B12C B9C -103.3(12) . . . . ?
B7C B11C B12C B10C -141.4(12) . . . . ?
B8C B3C B4C C1C 132.9(10) . . . . ?
B8C B3C B4C C9C -119.8(13) . . . . ?
B8C B3C B4C B5C 99.8(10) . . . . ?
B8C B3C B4C B9C 38.6(9) . . . . ?
B8C B3C B7C C2C -135.7(10) . . . . ?
B8C B3C B7C B11C -101.7(11) . . . . ?
B8C B3C B7C B12C -36.2(9) . . . . ?
B8C B4C B5C C1C 94.6(10) . . . . ?
B8C B4C B5C B6C 63.4(12) . . . . ?
B8C B4C B5C B9C -36.4(9) . . . . ?
B8C B4C B5C B10C 2.2(12) . . . . ?
B8C B4C B9C B5C 138.4(11) . . . . ?
B8C B4C B9C B10C 100.6(11) . . . . ?
B8C B4C B9C B12C 36.9(10) . . . . ?
B8C B7C B11C C2C -96.6(10) . . . . ?
B8C B7C B11C B6C -62.7(12) . . . . ?
B8C B7C B11C B10C 1.6(13) . . . . ?
B8C B7C B11C B12C 36.9(9) . . . . ?
B8C B7C B12C B9C -39.6(10) . . . . ?
B8C B7C B12C B10C -106.0(12) . . . . ?
B8C B7C B12C B11C -138.6(10) . . . . ?
B8C B9C B10C B5C 103.3(11) . . . . ?
B8C B9C B10C B6C 66.2(13) . . . . ?
B8C B9C B10C B11C 1.3(14) . . . . ?
B8C B9C B10C B12C -37.1(10) . . . . ?
B8C B9C B12C B7C 40.5(10) . . . . ?
B8C B9C B12C B10C 138.6(10) . . . . ?
B8C B9C B12C B11C 103.4(10) . . . . ?
B9C B4C B5C C1C 131.1(12) . . . . ?
B9C B4C B5C B6C 99.8(12) . . . . ?
B9C B4C B5C B10C 38.7(10) . . . . ?
B9C B4C B8C B3C -135.3(11) . . . . ?
B9C B4C B8C B7C -97.3(11) . . . . ?
B9C B4C B8C B12C -35.8(10) . . . . ?
B9C B5C B6C C1C 94.8(11) . . . . ?
B9C B5C B6C C2C 61.2(13) . . . . ?
B9C B5C B6C B10C -37.9(10) . . . . ?
B9C B5C B6C B11C -1.3(14) . . . . ?
B9C B5C B10C B6C 138.5(11) . . . . ?
B9C B5C B10C B11C 99.9(11) . . . . ?
B9C B5C B10C B12C 33.8(9) . . . . ?
B9C B8C B12C B7C -136.6(10) . . . . ?
B9C B8C B12C B10C -39.2(10) . . . . ?
B9C B8C B12C B11C -99.4(11) . . . . ?
B9C B10C B11C C2C 61.0(12) . . . . ?
B9C B10C B11C B6C 99.6(12) . . . . ?
B9C B10C B11C B7C -1.7(14) . . . . ?
B9C B10C B11C B12C -36.0(10) . . . . ?
B9C B10C B12C B7C 104.7(12) . . . . ?
B9C B10C B12C B8C 38.3(10) . . . . ?
B9C B10C B12C B11C 138.6(11) . . . . ?
B10C B5C B6C C1C 132.6(11) . . . . ?
B10C B5C B6C C2C 99.1(11) . . . . ?
B10C B5C B6C B11C 36.6(10) . . . . ?
B10C B5C B9C B4C -138.2(11) . . . . ?
B10C B5C B9C B8C -99.8(12) . . . . ?
B10C B5C B9C B12C -35.5(10) . . . . ?
B10C B6C B11C C2C 135.8(11) . . . . ?
B10C B6C B11C B7C 101.9(12) . . . . ?
B10C B6C B11C B12C 40.0(10) . . . . ?
B10C B9C B12C B7C -98.1(11) . . . . ?
B10C B9C B12C B8C -138.6(10) . . . . ?
B10C B9C B12C B11C -35.1(9) . . . . ?
B10C B11C B12C B7C 141.4(12) . . . . ?
B10C B11C B12C B8C 102.7(12) . . . . ?
B10C B11C B12C B9C 38.2(10) . . . . ?
B11C C2C C3C C4C 74.4(15) . . . . ?
B11C C2C C3C C8C -106.5(15) . . . . ?
B11C C2C B3C C1C 99.2(10) . . . . ?
B11C C2C B3C B4C 67.0(11) . . . . ?
B11C C2C B3C B7C -36.1(10) . . . . ?
B11C C2C B3C B8C 3.9(13) . . . . ?
B11C C2C B6C C1C -135.9(11) . . . . ?
B11C C2C B6C B5C -102.2(12) . . . . ?
B11C C2C B6C B10C -37.8(10) . . . . ?
B11C C2C B7C B3C 141.9(11) . . . . ?
B11C C2C B7C B8C 103.5(11) . . . . ?
B11C C2C B7C B12C 42.0(11) . . . . ?
B11C B6C B10C B5C -138.1(11) . . . . ?
B11C B6C B10C B9C -102.3(11) . . . . ?
B11C B6C B10C B12C -41.5(11) . . . . ?
B11C B7C B8C B3C 100.4(10) . . . . ?
B11C B7C B8C B4C 61.6(12) . . . . ?
B11C B7C B8C B9C -0.7(12) . . . . ?
B11C B7C B8C B12C -38.3(9) . . . . ?
B11C B7C B12C B8C 138.6(10) . . . . ?
B11C B7C B12C B9C 98.9(12) . . . . ?
B11C B7C B12C B10C 32.5(11) . . . . ?
B11C B10C B12C B7C -33.9(11) . . . . ?
B11C B10C B12C B8C -100.2(11) . . . . ?
B11C B10C B12C B9C -138.6(11) . . . . ?
B12C B7C B8C B3C 138.7(10) . . . . ?
B12C B7C B8C B4C 99.8(10) . . . . ?
B12C B7C B8C B9C 37.5(9) . . . . ?
B12C B7C B11C C2C -133.5(11) . . . . ?
B12C B7C B11C B6C -99.6(12) . . . . ?
B12C B7C B11C B10C -35.3(11) . . . . ?
B12C B8C B9C B4C 139.3(11) . . . . ?
B12C B8C B9C B5C 101.1(13) . . . . ?
B12C B8C B9C B10C 36.9(10) . . . . ?
B12C B9C B10C B5C 140.5(11) . . . . ?
B12C B9C B10C B6C 103.3(12) . . . . ?
B12C B9C B10C B11C 38.4(10) . . . . ?
B12C B10C B11C C2C 97.0(11) . . . . ?
B12C B10C B11C B6C 135.7(11) . . . . ?
B12C B10C B11C B7C 34.3(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
# start Validation Reply Form
_vrf_PLAT340_11                  
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02006 Ang.  
RESPONSE: This alert is a result of the data obtained for the structure.
;
# end Validation Reply Form
####################################################################### 
# 
# 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_11
_database_code_depnum_ccdc_archive 'CCDC 2089805'
loop_
_audit_author_name
_audit_author_address
'Hou-ji Cao'
;Nanjing University
China
;
_audit_update_record             
;
2021-06-12 deposited with the CCDC.	2021-11-19 downloaded from the CCDC.
;
_audit_creation_date             2021-03-19
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C16 H28 B10 Br N O'
_chemical_formula_sum            'C16 H28 B10 Br N O'
_chemical_formula_weight         438.40
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   7.829
_cell_length_b                   29.804
_cell_length_c                   9.584
_cell_angle_alpha                90
_cell_angle_beta                 93.06
_cell_angle_gamma                90
_cell_volume                     2233.1
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4472
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      2.24
_shelx_estimated_absorpt_T_max   0.756
_shelx_estimated_absorpt_T_min   0.709
_exptl_absorpt_coefficient_mu    1.848
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.3335
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1331 before and 0.1000 after correction. The Ratio of minimum to maximum transmission is 0.4473. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.304
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             896
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0976
_diffrn_reflns_av_unetI/netI     0.0997
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            17903
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.557
_diffrn_reflns_theta_min         2.235
_diffrn_ambient_temperature      296.15
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2991
_reflns_number_total             5074
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.991
_refine_diff_density_min         -0.544
_refine_diff_density_rms         0.115
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     263
_refine_ls_number_reflns         5074
_refine_ls_number_restraints     78
_refine_ls_R_factor_all          0.1473
_refine_ls_R_factor_gt           0.0942
_refine_ls_restrained_S_all      1.045
_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)+(0.1627P)²+3.2729P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2705
_refine_ls_wR_factor_ref         0.3114
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
N1 \\sim C4 \\sim C5 \\sim C6 \\sim C7 \\sim C8: within 2.7A with sigma of 0.01
and sigma for terminal atoms of 0.02
3.a Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C12(H12A,H12B), C13(H13A,H13B), C14(H14A,H14B), C15(H15A,H15B),
 C16(H16A,H16B)
3.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C7(H7), C8(H8A)
3.c Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C)
3.d Boron cage BH refined with riding coordinates:
 B3(H3), B5(H5A), B6(H6A), B7(H7A), B8(H8), B9(H9), B10(H10), B11(H11), B12(H12)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Br1 Br 0.69876(10) 0.45926(3) 0.38197(8) 0.0712(4) Uani 1 1 d . . . . .
O1 O 0.7856(7) 0.44229(18) 0.7367(5) 0.0693(14) Uani 1 1 d . . . . .
N1 N 0.2380(8) 0.4162(2) 0.8641(7) 0.0726(16) Uani 1 1 d . U . . .
C1 C 0.4519(7) 0.3592(2) 0.8992(6) 0.0435(13) Uani 1 1 d . . . . .
C2 C 0.3553(9) 0.3104(2) 0.9341(7) 0.0580(17) Uani 1 1 d . . . . .
C3 C 0.1901(12) 0.3126(3) 0.9984(11) 0.093(3) Uani 1 1 d . . . . .
H3A H 0.206068 0.324201 1.091587 0.139 Uiso 1 1 calc GR . . . .
H3B H 0.141664 0.283009 1.001674 0.139 Uiso 1 1 calc GR . . . .
H3C H 0.114161 0.331864 0.944167 0.139 Uiso 1 1 calc GR . . . .
C4 C 0.3691(8) 0.4017(2) 0.9436(7) 0.0529(14) Uani 1 1 d . U . . .
C5 C 0.4387(8) 0.4259(2) 1.0488(7) 0.0548(14) Uani 1 1 d . U . . .
H5 H 0.537531 0.416078 1.097607 0.066 Uiso 1 1 calc R . . . .
C6 C 0.3623(10) 0.4658(3) 1.0848(8) 0.0650(16) Uani 1 1 d . U . . .
H6 H 0.403978 0.481775 1.162714 0.078 Uiso 1 1 calc R . . . .
C7 C 0.2256(10) 0.4816(3) 1.0053(9) 0.0756(18) Uani 1 1 d . U . . .
H7 H 0.174292 0.508853 1.025495 0.091 Uiso 1 1 calc R . . . .
C8 C 0.1678(11) 0.4562(3) 0.8963(9) 0.0762(18) Uani 1 1 d . U . . .
H8A H 0.075368 0.466651 0.840509 0.091 Uiso 1 1 calc R . . . .
C9 C 0.5590(8) 0.3981(2) 0.6467(6) 0.0482(14) Uani 1 1 d . . . . .
H9A H 0.520512 0.388633 0.553483 0.058 Uiso 1 1 calc R . . . .
H9B H 0.477183 0.419870 0.678069 0.058 Uiso 1 1 calc R . . . .
C10 C 0.7275(8) 0.42043(19) 0.6392(6) 0.0457(13) Uani 1 1 d . . . . .
C11 C 0.8302(8) 0.41675(18) 0.5085(6) 0.0451(13) Uani 1 1 d . . . . .
C12 C 1.0094(8) 0.4345(2) 0.5295(7) 0.0515(15) Uani 1 1 d . . . . .
H12A H 1.067365 0.417977 0.605351 0.062 Uiso 1 1 calc R . . . .
H12B H 1.003661 0.465657 0.558186 0.062 Uiso 1 1 calc R . . . .
C13 C 1.1174(10) 0.4316(3) 0.4009(9) 0.072(2) Uani 1 1 d . . . . .
H13A H 1.072784 0.452258 0.329746 0.086 Uiso 1 1 calc R . . . .
H13B H 1.234484 0.440130 0.426473 0.086 Uiso 1 1 calc R . . . .
C14 C 1.1139(13) 0.3849(3) 0.3440(12) 0.094(3) Uani 1 1 d . . . . .
H14A H 1.171755 0.365025 0.411125 0.113 Uiso 1 1 calc R . . . .
H14B H 1.175596 0.384177 0.258895 0.113 Uiso 1 1 calc R . . . .
C15 C 0.9351(13) 0.3685(3) 0.3131(9) 0.085(3) Uani 1 1 d . . . . .
H15A H 0.938976 0.337699 0.280387 0.102 Uiso 1 1 calc R . . . .
H15B H 0.881082 0.386511 0.239014 0.102 Uiso 1 1 calc R . . . .
C16 C 0.8280(11) 0.3706(2) 0.4410(7) 0.0621(19) Uani 1 1 d . . . . .
H16A H 0.710793 0.362635 0.413688 0.074 Uiso 1 1 calc R . . . .
H16B H 0.870986 0.348739 0.509043 0.074 Uiso 1 1 calc R . . . .
B3 B 0.3582(10) 0.3275(2) 0.7635(8) 0.0494(16) Uani 1 1 d . . . . .
H3 H 0.241995 0.337422 0.701462 0.059 Uiso 1 1 calc R . . . .
B4 B 0.5592(8) 0.3561(2) 0.7472(7) 0.0424(14) Uani 1 1 d . . . . .
B5 B 0.6686(9) 0.3535(3) 0.9163(8) 0.0481(16) Uani 1 1 d . . . . .
H5A H 0.756069 0.380491 0.952540 0.058 Uiso 1 1 calc R . . . .
B6 B 0.5358(9) 0.3244(3) 1.0307(7) 0.0503(17) Uani 1 1 d . . . . .
H6A H 0.535184 0.332338 1.142730 0.060 Uiso 1 1 calc R . . . .
B7 B 0.3985(13) 0.2713(3) 0.8062(10) 0.070(2) Uani 1 1 d . . . . .
H7A H 0.309524 0.244590 0.770389 0.084 Uiso 1 1 calc R . . . .
B8 B 0.5299(12) 0.2991(3) 0.6897(9) 0.062(2) Uani 1 1 d . . . . .
H8 H 0.527989 0.290454 0.578009 0.074 Uiso 1 1 calc R . . . .
B9 B 0.7183(10) 0.3146(3) 0.7861(8) 0.0550(18) Uani 1 1 d . . . . .
H9 H 0.841202 0.315921 0.735651 0.066 Uiso 1 1 calc R . . . .
B10 B 0.7062(11) 0.2967(3) 0.9614(9) 0.058(2) Uani 1 1 d . . . . .
H10 H 0.819527 0.286880 1.027129 0.070 Uiso 1 1 calc R . . . .
B11 B 0.5061(13) 0.2690(3) 0.9719(10) 0.068(2) Uani 1 1 d . . . . .
H11 H 0.486115 0.240773 1.043183 0.081 Uiso 1 1 calc R . . . .
B12 B 0.6249(14) 0.2627(3) 0.8221(10) 0.070(2) Uani 1 1 d . . . . .
H12 H 0.685969 0.230690 0.797004 0.084 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Br1 C11 2.000(6) . ?
O1 C10 1.207(7) . ?
N1 C4 1.319(9) . ?
N1 C8 1.355(10) . ?
C1 C2 1.680(9) . ?
C1 C4 1.494(8) . ?
C1 B3 1.738(9) . ?
C1 B4 1.722(8) . ?
C1 B5 1.705(9) . ?
C1 B6 1.735(9) . ?
C2 C3 1.464(11) . ?
C2 B3 1.714(10) . ?
C2 B6 1.700(10) . ?
C2 B7 1.738(11) . ?
C2 B11 1.734(12) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 C5 1.333(9) . ?
C5 H5 0.9300 . ?
C5 C6 1.383(9) . ?
C6 H6 0.9300 . ?
C6 C7 1.364(11) . ?
C7 H7 0.9300 . ?
C7 C8 1.349(11) . ?
C8 H8A 0.9300 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.482(9) . ?
C9 B4 1.581(9) . ?
C10 C11 1.528(9) . ?
C11 C12 1.503(9) . ?
C11 C16 1.519(8) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C13 1.534(9) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 C14 1.493(12) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C15 1.498(14) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.522(10) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
B3 H3 1.1000 . ?
B3 B4 1.803(10) . ?
B3 B7 1.750(12) . ?
B3 B8 1.769(11) . ?
B4 B5 1.794(10) . ?
B4 B8 1.797(10) . ?
B4 B9 1.781(10) . ?
B5 H5A 1.1000 . ?
B5 B6 1.777(10) . ?
B5 B9 1.763(11) . ?
B5 B10 1.769(10) . ?
B6 H6A 1.1000 . ?
B6 B10 1.731(11) . ?
B6 B11 1.755(12) . ?
B7 H7A 1.1000 . ?
B7 B8 1.765(12) . ?
B7 B11 1.759(14) . ?
B7 B12 1.790(15) . ?
B8 H8 1.1000 . ?
B8 B9 1.760(13) . ?
B8 B12 1.799(13) . ?
B9 H9 1.1000 . ?
B9 B10 1.770(11) . ?
B9 B12 1.752(12) . ?
B10 H10 1.1000 . ?
B10 B11 1.778(13) . ?
B10 B12 1.766(14) . ?
B11 H11 1.1000 . ?
B11 B12 1.762(12) . ?
B12 H12 1.1000 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C4 N1 C8 118.1(7) . . ?
C2 C1 B3 60.2(4) . . ?
C2 C1 B4 111.5(5) . . ?
C2 C1 B5 110.5(5) . . ?
C2 C1 B6 59.7(4) . . ?
C4 C1 C2 118.0(5) . . ?
C4 C1 B3 120.1(5) . . ?
C4 C1 B4 121.7(5) . . ?
C4 C1 B5 120.1(5) . . ?
C4 C1 B6 116.9(5) . . ?
B4 C1 B3 62.8(4) . . ?
B4 C1 B6 113.5(5) . . ?
B5 C1 B3 113.3(5) . . ?
B5 C1 B4 63.1(4) . . ?
B5 C1 B6 62.2(4) . . ?
B6 C1 B3 110.3(5) . . ?
C1 C2 B3 61.6(4) . . ?
C1 C2 B6 61.8(4) . . ?
C1 C2 B7 109.5(5) . . ?
C1 C2 B11 110.4(5) . . ?
C3 C2 C1 117.6(6) . . ?
C3 C2 B3 116.5(7) . . ?
C3 C2 B6 119.2(6) . . ?
C3 C2 B7 122.4(7) . . ?
C3 C2 B11 123.4(7) . . ?
B3 C2 B7 60.9(5) . . ?
B3 C2 B11 111.6(5) . . ?
B6 C2 B3 113.2(5) . . ?
B6 C2 B7 111.1(6) . . ?
B6 C2 B11 61.5(5) . . ?
B11 C2 B7 60.9(5) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
N1 C4 C1 116.8(6) . . ?
N1 C4 C5 122.2(6) . . ?
C5 C4 C1 120.6(6) . . ?
C4 C5 H5 120.3 . . ?
C4 C5 C6 119.3(7) . . ?
C6 C5 H5 120.3 . . ?
C5 C6 H6 120.2 . . ?
C7 C6 C5 119.7(7) . . ?
C7 C6 H6 120.2 . . ?
C6 C7 H7 121.3 . . ?
C8 C7 C6 117.3(7) . . ?
C8 C7 H7 121.3 . . ?
N1 C8 H8A 118.4 . . ?
C7 C8 N1 123.2(8) . . ?
C7 C8 H8A 118.4 . . ?
H9A C9 H9B 107.6 . . ?
C10 C9 H9A 108.7 . . ?
C10 C9 H9B 108.7 . . ?
C10 C9 B4 114.4(5) . . ?
B4 C9 H9A 108.7 . . ?
B4 C9 H9B 108.7 . . ?
O1 C10 C9 120.2(6) . . ?
O1 C10 C11 118.7(6) . . ?
C9 C10 C11 121.1(5) . . ?
C10 C11 Br1 100.1(4) . . ?
C12 C11 Br1 107.8(4) . . ?
C12 C11 C10 113.1(5) . . ?
C12 C11 C16 111.4(5) . . ?
C16 C11 Br1 108.7(5) . . ?
C16 C11 C10 114.8(5) . . ?
C11 C12 H12A 108.5 . . ?
C11 C12 H12B 108.5 . . ?
C11 C12 C13 115.0(6) . . ?
H12A C12 H12B 107.5 . . ?
C13 C12 H12A 108.5 . . ?
C13 C12 H12B 108.5 . . ?
C12 C13 H13A 109.6 . . ?
C12 C13 H13B 109.6 . . ?
H13A C13 H13B 108.1 . . ?
C14 C13 C12 110.2(7) . . ?
C14 C13 H13A 109.6 . . ?
C14 C13 H13B 109.6 . . ?
C13 C14 H14A 109.2 . . ?
C13 C14 H14B 109.2 . . ?
C13 C14 C15 112.1(7) . . ?
H14A C14 H14B 107.9 . . ?
C15 C14 H14A 109.2 . . ?
C15 C14 H14B 109.2 . . ?
C14 C15 H15A 109.2 . . ?
C14 C15 H15B 109.2 . . ?
C14 C15 C16 112.1(7) . . ?
H15A C15 H15B 107.9 . . ?
C16 C15 H15A 109.2 . . ?
C16 C15 H15B 109.2 . . ?
C11 C16 C15 112.7(6) . . ?
C11 C16 H16A 109.0 . . ?
C11 C16 H16B 109.0 . . ?
C15 C16 H16A 109.0 . . ?
C15 C16 H16B 109.0 . . ?
H16A C16 H16B 107.8 . . ?
C1 B3 H3 124.2 . . ?
C1 B3 B4 58.2(4) . . ?
C1 B3 B7 106.4(6) . . ?
C1 B3 B8 105.1(5) . . ?
C2 B3 C1 58.3(4) . . ?
C2 B3 H3 122.8 . . ?
C2 B3 B4 106.2(5) . . ?
C2 B3 B7 60.2(5) . . ?
C2 B3 B8 106.7(6) . . ?
B4 B3 H3 121.8 . . ?
B7 B3 H3 121.1 . . ?
B7 B3 B4 109.0(6) . . ?
B7 B3 B8 60.2(5) . . ?
B8 B3 H3 122.5 . . ?
B8 B3 B4 60.4(4) . . ?
C1 B4 B3 59.0(4) . . ?
C1 B4 B5 58.0(4) . . ?
C1 B4 B8 104.5(5) . . ?
C1 B4 B9 103.2(5) . . ?
C9 B4 C1 119.2(5) . . ?
C9 B4 B3 117.0(5) . . ?
C9 B4 B5 124.7(5) . . ?
C9 B4 B8 124.5(5) . . ?
C9 B4 B9 131.0(5) . . ?
B5 B4 B3 106.2(5) . . ?
B5 B4 B8 106.5(5) . . ?
B8 B4 B3 58.8(4) . . ?
B9 B4 B3 105.0(5) . . ?
B9 B4 B5 59.1(4) . . ?
B9 B4 B8 58.9(5) . . ?
C1 B5 B4 58.9(4) . . ?
C1 B5 H5A 123.9 . . ?
C1 B5 B6 59.7(4) . . ?
C1 B5 B9 104.7(5) . . ?
C1 B5 B10 105.7(5) . . ?
B4 B5 H5A 120.9 . . ?
B6 B5 B4 108.1(5) . . ?
B6 B5 H5A 122.5 . . ?
B9 B5 B4 60.1(4) . . ?
B9 B5 H5A 123.2 . . ?
B9 B5 B6 105.9(5) . . ?
B9 B5 B10 60.2(4) . . ?
B10 B5 B4 109.1(6) . . ?
B10 B5 H5A 122.0 . . ?
B10 B5 B6 58.4(4) . . ?
C1 B6 B5 58.1(4) . . ?
C1 B6 H6A 123.9 . . ?
C1 B6 B11 106.9(6) . . ?
C2 B6 C1 58.6(4) . . ?
C2 B6 B5 106.3(5) . . ?
C2 B6 H6A 122.5 . . ?
C2 B6 B10 108.1(6) . . ?
C2 B6 B11 60.2(5) . . ?
B5 B6 H6A 122.0 . . ?
B10 B6 C1 106.1(5) . . ?
B10 B6 B5 60.5(4) . . ?
B10 B6 H6A 121.4 . . ?
B10 B6 B11 61.3(5) . . ?
B11 B6 B5 109.5(5) . . ?
B11 B6 H6A 120.6 . . ?
C2 B7 B3 58.8(4) . . ?
C2 B7 H7A 124.2 . . ?
C2 B7 B8 105.8(5) . . ?
C2 B7 B11 59.4(5) . . ?
C2 B7 B12 105.3(6) . . ?
B3 B7 H7A 121.1 . . ?
B3 B7 B8 60.4(4) . . ?
B3 B7 B11 108.7(6) . . ?
B3 B7 B12 108.8(6) . . ?
B8 B7 H7A 121.5 . . ?
B8 B7 B12 60.8(5) . . ?
B11 B7 H7A 121.2 . . ?
B11 B7 B8 108.8(7) . . ?
B11 B7 B12 59.5(5) . . ?
B12 B7 H7A 122.1 . . ?
B3 B8 B4 60.7(4) . . ?
B3 B8 H8 122.0 . . ?
B3 B8 B12 107.5(6) . . ?
B4 B8 H8 120.9 . . ?
B4 B8 B12 108.2(6) . . ?
B7 B8 B3 59.4(5) . . ?
B7 B8 B4 108.6(5) . . ?
B7 B8 H8 121.9 . . ?
B7 B8 B12 60.3(5) . . ?
B9 B8 B3 107.3(5) . . ?
B9 B8 B4 60.1(4) . . ?
B9 B8 B7 107.0(6) . . ?
B9 B8 H8 122.6 . . ?
B9 B8 B12 59.0(5) . . ?
B12 B8 H8 122.0 . . ?
B4 B9 H9 120.1 . . ?
B5 B9 B4 60.8(4) . . ?
B5 B9 H9 121.2 . . ?
B5 B9 B10 60.1(4) . . ?
B8 B9 B4 61.0(4) . . ?
B8 B9 B5 109.5(5) . . ?
B8 B9 H9 120.5 . . ?
B8 B9 B10 109.5(6) . . ?
B10 B9 B4 109.6(5) . . ?
B10 B9 H9 121.4 . . ?
B12 B9 B4 111.0(6) . . ?
B12 B9 B5 109.3(5) . . ?
B12 B9 B8 61.6(5) . . ?
B12 B9 H9 120.2 . . ?
B12 B9 B10 60.2(5) . . ?
B5 B10 B9 59.8(4) . . ?
B5 B10 H10 120.8 . . ?
B5 B10 B11 108.8(6) . . ?
B6 B10 B5 61.0(4) . . ?
B6 B10 B9 107.6(5) . . ?
B6 B10 H10 121.4 . . ?
B6 B10 B11 60.0(5) . . ?
B6 B10 B12 108.0(6) . . ?
B9 B10 H10 122.8 . . ?
B9 B10 B11 106.6(6) . . ?
B11 B10 H10 122.0 . . ?
B12 B10 B5 108.4(6) . . ?
B12 B10 B9 59.4(5) . . ?
B12 B10 H10 121.9 . . ?
B12 B10 B11 59.6(5) . . ?
C2 B11 B6 58.3(4) . . ?
C2 B11 B7 59.7(5) . . ?
C2 B11 B10 104.5(5) . . ?
C2 B11 H11 123.8 . . ?
C2 B11 B12 106.8(6) . . ?
B6 B11 B7 107.6(6) . . ?
B6 B11 B10 58.7(4) . . ?
B6 B11 H11 122.7 . . ?
B6 B11 B12 107.1(6) . . ?
B7 B11 B10 108.2(6) . . ?
B7 B11 H11 120.9 . . ?
B7 B11 B12 61.1(6) . . ?
B10 B11 H11 123.0 . . ?
B12 B11 B10 59.9(5) . . ?
B12 B11 H11 121.6 . . ?
B7 B12 B8 58.9(5) . . ?
B7 B12 H12 123.0 . . ?
B8 B12 H12 122.4 . . ?
B9 B12 B7 106.2(6) . . ?
B9 B12 B8 59.4(5) . . ?
B9 B12 B10 60.4(5) . . ?
B9 B12 B11 108.1(6) . . ?
B9 B12 H12 122.1 . . ?
B10 B12 B7 107.3(6) . . ?
B10 B12 B8 107.9(6) . . ?
B10 B12 H12 121.3 . . ?
B11 B12 B7 59.4(6) . . ?
B11 B12 B8 107.1(6) . . ?
B11 B12 B10 60.5(5) . . ?
B11 B12 H12 121.7 . . ?

_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_11_a_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2088268'
loop_
_audit_author_name
_audit_author_address
'Hou-ji Cao'
;Nanjing University
China
;
_audit_update_record             
;
2021-06-06 deposited with the CCDC.	2021-11-19 downloaded from the CCDC.
;
_audit_creation_date             2021-04-08
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C16 H24 B9 N'
_chemical_formula_sum            'C16 H24 B9 N'
_chemical_formula_weight         327.65
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           7
_space_group_name_H-M_alt        'P 1 c 1'
_space_group_name_Hall           'P -2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'

_cell_length_a                   7.670(2)
_cell_length_b                   7.489(2)
_cell_length_c                   16.814(3)
_cell_angle_alpha                90.00(3)
_cell_angle_beta                 102.92(3)
_cell_angle_gamma                90.00(3)
_cell_volume                     941.3(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3778
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.41
_cell_measurement_theta_min      2.99
_shelx_estimated_absorpt_T_max   0.992
_shelx_estimated_absorpt_T_min   0.989
_exptl_absorpt_coefficient_mu    0.059
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6679
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1420 before and 0.0491 after correction. The Ratio of minimum to maximum transmission is 0.8958. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.156
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             344
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0332
_diffrn_reflns_av_unetI/netI     0.0393
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            8417
_diffrn_reflns_point_group_measured_fraction_full 0.813
_diffrn_reflns_point_group_measured_fraction_max 0.804
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_min         2.991
_diffrn_ambient_temperature      296.15
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.616
_reflns_Friedel_fraction_full    0.632
_reflns_Friedel_fraction_max     0.614
_reflns_number_gt                3164
_reflns_number_total             3461
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.165
_refine_diff_density_min         -0.148
_refine_diff_density_rms         0.030
_refine_ls_abs_structure_details 
;
 Flack x determined using 1037 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.2(10)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     331
_refine_ls_number_reflns         3461
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0465
_refine_ls_R_factor_gt           0.0409
_refine_ls_restrained_S_all      1.044
_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)+(0.0657P)²+0.0419P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1034
_refine_ls_wR_factor_ref         0.1087
_refine_special_details          ?
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
N1 N -0.3826(2) -0.6090(2) -0.46177(11) 0.0299(4) Uani 1 1 d . . . . .
C1 C -0.5672(3) -0.3648(3) -0.42262(14) 0.0291(4) Uani 1 1 d . . . . .
C2 C -0.7262(3) -0.3520(3) -0.37652(15) 0.0352(5) Uani 1 1 d . . . . .
C3 C -0.7437(4) -0.4928(4) -0.31384(19) 0.0492(7) Uani 1 1 d . . . . .
H3A H -0.724(4) -0.617(4) -0.3317(19) 0.047(8) Uiso 1 1 d . . . . .
H3B H -0.656(6) -0.455(6) -0.255(3) 0.093(13) Uiso 1 1 d . . . . .
H3C H -0.852(6) -0.483(5) -0.303(2) 0.067(10) Uiso 1 1 d . . . . .
C4 C -0.4305(3) -0.5072(3) -0.40277(13) 0.0287(4) Uani 1 1 d . . . . .
C5 C -0.3406(3) -0.5333(3) -0.32237(15) 0.0377(5) Uani 1 1 d . . . . .
H5 H -0.376(4) -0.449(4) -0.2826(16) 0.035(7) Uiso 1 1 d . . . . .
C6 C -0.2133(3) -0.6639(4) -0.30136(18) 0.0435(6) Uani 1 1 d . . . . .
H6 H -0.161(4) -0.679(4) -0.2487(19) 0.038(7) Uiso 1 1 d . . . . .
C7 C -0.1757(4) -0.7714(4) -0.36118(17) 0.0434(6) Uani 1 1 d . . . . .
H7 H -0.092(5) -0.863(5) -0.348(2) 0.057(9) Uiso 1 1 d . . . . .
C8 C -0.2600(3) -0.7413(3) -0.44033(17) 0.0404(6) Uani 1 1 d . . . . .
H8 H -0.234(4) -0.815(4) -0.4850(18) 0.045(8) Uiso 1 1 d . . . . .
C9 C -0.5131(4) -0.3953(3) -0.57690(17) 0.0432(6) Uani 1 1 d . . . . .
H9A H -0.579(4) -0.396(4) -0.634(2) 0.047(8) Uiso 1 1 d . . . . .
H9B H -0.397(4) -0.326(4) -0.5755(18) 0.051(8) Uiso 1 1 d . . . . .
C10 C -0.4712(3) -0.5899(3) -0.55301(14) 0.0338(5) Uani 1 1 d . . . . .
H10 H -0.578(4) -0.651(3) -0.5606(16) 0.032(6) Uiso 1 1 d . . . . .
C11 C -0.3554(3) -0.6762(3) -0.60548(15) 0.0369(5) Uani 1 1 d . . . . .
C12 C -0.4204(4) -0.8218(4) -0.65395(18) 0.0490(6) Uani 1 1 d . . . . .
H12 H -0.534(5) -0.870(5) -0.651(2) 0.070(11) Uiso 1 1 d . . . . .
C13 C -0.3159(5) -0.9032(4) -0.7009(2) 0.0624(9) Uani 1 1 d . . . . .
H13 H -0.367(5) -0.996(5) -0.735(2) 0.065(10) Uiso 1 1 d . . . . .
C14 C -0.1449(5) -0.8414(5) -0.6985(2) 0.0665(10) Uani 1 1 d . . . . .
H14 H -0.067(6) -0.894(6) -0.733(3) 0.090(13) Uiso 1 1 d . . . . .
C15 C -0.0811(4) -0.6935(5) -0.6523(2) 0.0585(8) Uani 1 1 d . . . . .
H15 H 0.037(5) -0.649(6) -0.655(2) 0.074(11) Uiso 1 1 d . . . . .
C16 C -0.1866(3) -0.6116(4) -0.60594(17) 0.0451(6) Uani 1 1 d . . . . .
H16 H -0.151(4) -0.512(5) -0.577(2) 0.050(9) Uiso 1 1 d . . . . .
B4 B -0.4948(4) -0.1645(3) -0.4399(2) 0.0394(6) Uani 1 1 d . . . . .
H4A H -0.355(4) -0.142(4) -0.4411(18) 0.047(8) Uiso 1 1 d . . . . .
H4B H -0.535(5) -0.095(6) -0.372(2) 0.077(12) Uiso 1 1 d . . . . .
B5 B -0.6252(4) -0.2992(3) -0.52040(17) 0.0340(5) Uani 1 1 d . . . . .
B6 B -0.7745(3) -0.4272(4) -0.47663(17) 0.0359(6) Uani 1 1 d . . . . .
H6A H -0.794(4) -0.563(4) -0.4852(17) 0.042(7) Uiso 1 1 d . . . . .
B7 B -0.6465(5) -0.0043(4) -0.4082(2) 0.0493(8) Uani 1 1 d . . . . .
H7A H -0.614(5) 0.131(4) -0.394(2) 0.056(9) Uiso 1 1 d . . . . .
B8 B -0.6770(4) -0.0720(4) -0.5117(2) 0.0464(7) Uani 1 1 d . . . . .
H8A H -0.661(5) 0.015(6) -0.557(2) 0.078(11) Uiso 1 1 d . . . . .
B9 B -0.8517(4) -0.2364(4) -0.5346(2) 0.0447(7) Uani 1 1 d . . . . .
H9 H -0.939(4) -0.245(4) -0.594(2) 0.054(9) Uiso 1 1 d . . . . .
B10 B -0.9212(4) -0.2817(4) -0.4430(2) 0.0449(7) Uani 1 1 d . . . . .
H10A H -1.050(4) -0.333(4) -0.440(2) 0.050(8) Uiso 1 1 d . . . . .
B11 B -0.7888(4) -0.1490(4) -0.3646(2) 0.0451(7) Uani 1 1 d . . . . .
H11 H -0.841(5) -0.113(4) -0.314(2) 0.067(10) Uiso 1 1 d . . . . .
B12 B -0.8643(4) -0.0623(4) -0.4629(2) 0.0501(8) Uani 1 1 d . . . . .
H12A H -0.963(4) 0.050(4) -0.4771(18) 0.050(8) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
N1 C4 1.365(3) . ?
N1 C8 1.358(3) . ?
N1 C10 1.539(3) . ?
C1 C2 1.588(3) . ?
C1 C4 1.480(3) . ?
C1 B4 1.648(3) . ?
C1 B5 1.678(4) . ?
C1 B6 1.710(3) . ?
C2 C3 1.518(4) . ?
C2 B6 1.735(4) . ?
C2 B10 1.736(4) . ?
C2 B11 1.620(4) . ?
C3 H3A 1.00(3) . ?
C3 H3B 1.11(5) . ?
C3 H3C 0.89(4) . ?
C4 C5 1.387(3) . ?
C5 H5 1.00(3) . ?
C5 C6 1.372(4) . ?
C6 H6 0.89(3) . ?
C6 C7 1.368(4) . ?
C7 H7 0.93(3) . ?
C7 C8 1.362(4) . ?
C8 H8 0.99(3) . ?
C9 H9A 0.98(3) . ?
C9 H9B 1.03(3) . ?
C9 C10 1.527(3) . ?
C9 B5 1.588(4) . ?
C10 H10 0.92(3) . ?
C10 C11 1.528(3) . ?
C11 C12 1.386(4) . ?
C11 C16 1.383(4) . ?
C12 H12 0.96(4) . ?
C12 C13 1.385(4) . ?
C13 H13 0.93(4) . ?
C13 C14 1.383(6) . ?
C14 H14 1.00(5) . ?
C14 C15 1.378(5) . ?
C15 H15 0.98(4) . ?
C15 C16 1.386(4) . ?
C16 H16 0.90(4) . ?
B4 H4A 1.09(3) . ?
B4 H4B 1.35(4) . ?
B4 B5 1.801(4) . ?
B4 B7 1.831(4) . ?
B4 B8 1.771(5) . ?
B5 B6 1.774(4) . ?
B5 B8 1.761(4) . ?
B5 B9 1.764(4) . ?
B6 H6A 1.04(3) . ?
B6 B9 1.756(4) . ?
B6 B10 1.749(4) . ?
B7 H4B 1.15(4) . ?
B7 H7A 1.06(3) . ?
B7 B8 1.777(5) . ?
B7 B11 1.807(5) . ?
B7 B12 1.772(5) . ?
B8 H8A 1.03(4) . ?
B8 B9 1.797(5) . ?
B8 B12 1.808(5) . ?
B9 H9 1.08(3) . ?
B9 B10 1.772(5) . ?
B9 B12 1.792(5) . ?
B10 H10A 1.07(3) . ?
B10 B11 1.777(5) . ?
B10 B12 1.752(5) . ?
B11 H11 1.05(4) . ?
B11 B12 1.751(5) . ?
B12 H12A 1.12(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
C4 N1 C10 122.80(17) . . ?
C8 N1 C4 119.84(19) . . ?
C8 N1 C10 117.23(19) . . ?
C2 C1 B4 110.87(18) . . ?
C2 C1 B5 113.33(17) . . ?
C2 C1 B6 63.33(15) . . ?
C4 C1 C2 121.10(19) . . ?
C4 C1 B4 116.51(18) . . ?
C4 C1 B5 116.83(19) . . ?
C4 C1 B6 116.79(18) . . ?
B4 C1 B5 65.59(17) . . ?
B4 C1 B6 117.68(19) . . ?
B5 C1 B6 63.14(16) . . ?
C1 C2 B6 61.77(15) . . ?
C1 C2 B10 110.5(2) . . ?
C1 C2 B11 113.5(2) . . ?
C3 C2 C1 119.6(2) . . ?
C3 C2 B6 114.5(2) . . ?
C3 C2 B10 117.4(2) . . ?
C3 C2 B11 119.4(2) . . ?
B6 C2 B10 60.50(17) . . ?
B11 C2 B6 114.8(2) . . ?
B11 C2 B10 63.83(18) . . ?
C2 C3 H3A 113.3(18) . . ?
C2 C3 H3B 109(3) . . ?
C2 C3 H3C 108(2) . . ?
H3A C3 H3B 114(3) . . ?
H3A C3 H3C 110(3) . . ?
H3B C3 H3C 102(3) . . ?
N1 C4 C1 122.05(19) . . ?
N1 C4 C5 118.28(19) . . ?
C5 C4 C1 119.6(2) . . ?
C4 C5 H5 114.4(15) . . ?
C6 C5 C4 121.4(2) . . ?
C6 C5 H5 124.2(15) . . ?
C5 C6 H6 118.6(19) . . ?
C7 C6 C5 119.0(2) . . ?
C7 C6 H6 122.4(19) . . ?
C6 C7 H7 120(2) . . ?
C8 C7 C6 119.3(2) . . ?
C8 C7 H7 121(2) . . ?
N1 C8 C7 121.9(2) . . ?
N1 C8 H8 116.9(17) . . ?
C7 C8 H8 121.2(17) . . ?
H9A C9 H9B 106(3) . . ?
C10 C9 H9A 106.5(17) . . ?
C10 C9 H9B 110.2(17) . . ?
C10 C9 B5 112.7(2) . . ?
B5 C9 H9A 111.1(18) . . ?
B5 C9 H9B 109.9(18) . . ?
N1 C10 H10 105.9(17) . . ?
C9 C10 N1 111.8(2) . . ?
C9 C10 H10 107.8(16) . . ?
C9 C10 C11 111.5(2) . . ?
C11 C10 N1 110.61(18) . . ?
C11 C10 H10 109.0(17) . . ?
C12 C11 C10 119.5(2) . . ?
C16 C11 C10 121.4(2) . . ?
C16 C11 C12 119.1(3) . . ?
C11 C12 H12 118(2) . . ?
C13 C12 C11 120.2(3) . . ?
C13 C12 H12 121(2) . . ?
C12 C13 H13 117(2) . . ?
C14 C13 C12 120.1(3) . . ?
C14 C13 H13 123(2) . . ?
C13 C14 H14 122(3) . . ?
C15 C14 C13 120.0(3) . . ?
C15 C14 H14 117(3) . . ?
C14 C15 H15 118(2) . . ?
C14 C15 C16 119.6(3) . . ?
C16 C15 H15 122(2) . . ?
C11 C16 C15 120.9(3) . . ?
C11 C16 H16 117(2) . . ?
C15 C16 H16 122(2) . . ?
C1 B4 H4A 120.9(17) . . ?
C1 B4 H4B 93.1(18) . . ?
C1 B4 B5 58.01(14) . . ?
C1 B4 B7 106.5(2) . . ?
C1 B4 B8 103.4(2) . . ?
H4A B4 H4B 112(2) . . ?
B5 B4 H4A 117.0(16) . . ?
B5 B4 H4B 131.2(17) . . ?
B5 B4 B7 107.7(2) . . ?
B7 B4 H4A 126.6(16) . . ?
B7 B4 H4B 39.0(17) . . ?
B8 B4 H4A 123.8(16) . . ?
B8 B4 H4B 97.6(17) . . ?
B8 B4 B5 59.06(17) . . ?
B8 B4 B7 59.11(18) . . ?
C1 B5 B4 56.40(15) . . ?
C1 B5 B6 59.33(14) . . ?
C1 B5 B8 102.5(2) . . ?
C1 B5 B9 104.4(2) . . ?
C9 B5 C1 113.13(19) . . ?
C9 B5 B4 114.8(2) . . ?
C9 B5 B6 119.3(2) . . ?
C9 B5 B8 130.5(2) . . ?
C9 B5 B9 133.5(2) . . ?
B6 B5 B4 106.98(19) . . ?
B8 B5 B4 59.60(18) . . ?
B8 B5 B6 108.0(2) . . ?
B8 B5 B9 61.30(18) . . ?
B9 B5 B4 108.5(2) . . ?
B9 B5 B6 59.52(17) . . ?
C1 B6 C2 54.89(13) . . ?
C1 B6 B5 57.54(15) . . ?
C1 B6 H6A 115.7(16) . . ?
C1 B6 B9 103.3(2) . . ?
C1 B6 B10 104.3(2) . . ?
C2 B6 B5 102.11(19) . . ?
C2 B6 H6A 116.5(16) . . ?
C2 B6 B9 104.3(2) . . ?
C2 B6 B10 59.79(16) . . ?
B5 B6 H6A 124.3(17) . . ?
B9 B6 B5 59.94(17) . . ?
B9 B6 H6A 134.6(16) . . ?
B10 B6 B5 108.6(2) . . ?
B10 B6 H6A 124.9(17) . . ?
B10 B6 B9 60.74(18) . . ?
B4 B7 H4B 47(2) . . ?
B4 B7 H7A 124.1(19) . . ?
H4B B7 H7A 109(3) . . ?
B8 B7 B4 58.77(17) . . ?
B8 B7 H4B 105(2) . . ?
B8 B7 H7A 118.3(18) . . ?
B8 B7 B11 105.5(2) . . ?
B11 B7 B4 101.88(19) . . ?
B11 B7 H4B 83(2) . . ?
B11 B7 H7A 127.8(18) . . ?
B12 B7 B4 106.0(2) . . ?
B12 B7 H4B 129(2) . . ?
B12 B7 H7A 120.2(19) . . ?
B12 B7 B8 61.3(2) . . ?
B12 B7 B11 58.56(19) . . ?
B4 B8 B7 62.12(19) . . ?
B4 B8 H8A 123(2) . . ?
B4 B8 B9 108.3(2) . . ?
B4 B8 B12 107.0(2) . . ?
B5 B8 B4 61.34(16) . . ?
B5 B8 B7 112.0(2) . . ?
B5 B8 H8A 119(2) . . ?
B5 B8 B9 59.42(17) . . ?
B5 B8 B12 107.0(2) . . ?
B7 B8 H8A 122(2) . . ?
B7 B8 B9 109.5(2) . . ?
B7 B8 B12 59.23(19) . . ?
B9 B8 H8A 119(2) . . ?
B9 B8 B12 59.63(19) . . ?
B12 B8 H8A 123(2) . . ?
B5 B9 B8 59.28(17) . . ?
B5 B9 H9 119.8(18) . . ?
B5 B9 B10 108.1(2) . . ?
B5 B9 B12 107.6(2) . . ?
B6 B9 B5 60.53(16) . . ?
B6 B9 B8 107.2(2) . . ?
B6 B9 H9 122.0(18) . . ?
B6 B9 B10 59.43(17) . . ?
B6 B9 B12 106.3(2) . . ?
B8 B9 H9 121.3(18) . . ?
B10 B9 B8 107.5(2) . . ?
B10 B9 H9 123.6(18) . . ?
B10 B9 B12 58.87(18) . . ?
B12 B9 B8 60.51(19) . . ?
B12 B9 H9 123.7(18) . . ?
C2 B10 B6 59.70(15) . . ?
C2 B10 B9 103.55(19) . . ?
C2 B10 H10A 121.9(17) . . ?
C2 B10 B11 54.89(16) . . ?
C2 B10 B12 101.1(2) . . ?
B6 B10 B9 59.84(17) . . ?
B6 B10 H10A 117.4(16) . . ?
B6 B10 B11 106.6(2) . . ?
B6 B10 B12 108.4(2) . . ?
B9 B10 H10A 125.0(18) . . ?
B9 B10 B11 107.7(2) . . ?
B11 B10 H10A 122.8(18) . . ?
B12 B10 B9 61.15(19) . . ?
B12 B10 H10A 128.1(16) . . ?
B12 B10 B11 59.48(19) . . ?
C2 B11 B7 106.8(2) . . ?
C2 B11 B10 61.28(18) . . ?
C2 B11 H11 121.3(19) . . ?
C2 B11 B12 106.0(2) . . ?
B7 B11 H11 123.1(19) . . ?
B10 B11 B7 109.3(2) . . ?
B10 B11 H11 119(2) . . ?
B12 B11 B7 59.7(2) . . ?
B12 B11 B10 59.54(19) . . ?
B12 B11 H11 124.1(19) . . ?
B7 B12 B8 59.50(19) . . ?
B7 B12 B9 109.9(2) . . ?
B7 B12 H12A 116.1(17) . . ?
B8 B12 H12A 120.1(16) . . ?
B9 B12 B8 59.86(18) . . ?
B9 B12 H12A 122.6(16) . . ?
B10 B12 B7 112.1(2) . . ?
B10 B12 B8 107.8(2) . . ?
B10 B12 B9 59.98(19) . . ?
B10 B12 H12A 124.0(17) . . ?
B11 B12 B7 61.7(2) . . ?
B11 B12 B8 106.6(2) . . ?
B11 B12 B9 108.0(2) . . ?
B11 B12 B10 60.98(19) . . ?
B11 B12 H12A 123.0(16) . . ?

_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_20210121cy4_0m
_database_code_depnum_ccdc_archive 'CCDC 2088269'
loop_
_audit_author_name
_audit_author_address
'Hou-ji Cao'
;Nanjing University
China
;
_audit_update_record             
;
2021-06-06 deposited with the CCDC.	2021-11-19 downloaded from the CCDC.
;
_audit_creation_date             2021-01-22
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C16 H22 B9 N O'
_chemical_formula_sum            'C16 H22 B9 N O'
_chemical_formula_weight         341.63
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           41
_space_group_name_H-M_alt        'A e a 2'
_space_group_name_Hall           'A 2 -2ac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x+1/2, y, z+1/2'
'x+1/2, -y, z+1/2'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z+1'
'x+1/2, -y+1/2, z+1'

_cell_length_a                   12.6535(5)
_cell_length_b                   21.2265(9)
_cell_length_c                   15.7104(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4219.6(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    6718
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.483
_cell_measurement_theta_min      2.279
_shelx_estimated_absorpt_T_max   0.994
_shelx_estimated_absorpt_T_min   0.991
_exptl_absorpt_coefficient_mu    0.059
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6828
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1235 before and 0.0664 after correction.
The Ratio of minimum to maximum transmission is 0.9158.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.076
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1424
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0522
_diffrn_reflns_av_unetI/netI     0.0434
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            19061
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.522
_diffrn_reflns_theta_min         1.919
_diffrn_ambient_temperature      296.15
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX2 microsource'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_reflns_Friedel_coverage         0.927
_reflns_Friedel_fraction_full    0.996
_reflns_Friedel_fraction_max     0.995
_reflns_number_gt                3579
_reflns_number_total             4149
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2016/6 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.227
_refine_diff_density_min         -0.226
_refine_diff_density_rms         0.046
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   2(2)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     258
_refine_ls_number_reflns         4149
_refine_ls_number_restraints     283
_refine_ls_R_factor_all          0.0710
_refine_ls_R_factor_gt           0.0597
_refine_ls_restrained_S_all      1.077
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0927P)²+2.6008P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1577
_refine_ls_wR_factor_ref         0.1661
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: -0.50559
 1.50559
2. Uiso/Uaniso restraints and constraints
C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6 \\sim C7 \\sim C8 \\sim C9
\\sim C10 \\sim C11 \\sim C12 \\sim C13 \\sim C14 \\sim C15 \\sim C16: within
3.7A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 3.7A
3.a Riding coordinates:
 B5(H5A), B6(H6A), B8(H8A), B9(H9A), B10(H10), B12(H12A)
3.b Ternary CH refined with riding coordinates:
 C9(H9)
3.c Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C7(H7), C8(H8), C12(H12), C13(H13), C14(H14), C15(H15),
 C16(H16)
3.d Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 1.1385(2) 0.52498(12) 0.5276(2) 0.0468(7) Uani 1 1 d . . . . .
N1 N 1.0451(2) 0.63418(12) 0.48630(18) 0.0279(6) Uani 1 1 d . . . . .
C1 C 1.1580(3) 0.71892(15) 0.5097(2) 0.0314(7) Uani 1 1 d . U . . .
C2 C 1.1659(3) 0.79288(16) 0.5154(3) 0.0363(8) Uani 1 1 d . U . . .
C3 C 1.1113(4) 0.83395(19) 0.4511(3) 0.0534(11) Uani 1 1 d . U . . .
H3A H 1.038593 0.821460 0.446289 0.080 Uiso 1 1 calc R U . . .
H3B H 1.145376 0.829502 0.396869 0.080 Uiso 1 1 calc R U . . .
H3C H 1.114953 0.877112 0.469112 0.080 Uiso 1 1 calc R U . . .
C4 C 1.0908(3) 0.68464(15) 0.4483(2) 0.0318(7) Uani 1 1 d . U . . .
C5 C 1.0724(3) 0.69659(19) 0.3633(3) 0.0437(9) Uani 1 1 d . U . . .
H5 H 1.103627 0.730918 0.336487 0.052 Uiso 1 1 calc R U . . .
C6 C 1.0062(4) 0.6562(2) 0.3188(3) 0.0461(9) Uani 1 1 d . U . . .
H6 H 0.993087 0.663354 0.261386 0.055 Uiso 1 1 calc R U . . .
C7 C 0.9601(3) 0.60583(19) 0.3589(3) 0.0455(9) Uani 1 1 d . U . . .
H7 H 0.915196 0.579236 0.328793 0.055 Uiso 1 1 calc R U . . .
C8 C 0.9803(3) 0.59470(16) 0.4433(3) 0.0370(8) Uani 1 1 d . U . . .
H8 H 0.949768 0.560393 0.470670 0.044 Uiso 1 1 calc R U . . .
C9 C 1.0726(3) 0.62344(14) 0.5777(2) 0.0299(7) Uani 1 1 d . U . . .
H9 H 1.009136 0.627850 0.612908 0.036 Uiso 1 1 calc R U . . .
C10 C 1.1184(3) 0.55795(16) 0.5886(3) 0.0370(8) Uani 1 1 d . U . . .
C11 C 1.1377(4) 0.53598(17) 0.6772(3) 0.0449(9) Uani 1 1 d . U . . .
C12 C 1.1748(4) 0.47482(17) 0.6888(3) 0.0485(9) Uani 1 1 d . U . . .
H12 H 1.184572 0.448574 0.642092 0.058 Uiso 1 1 calc R U . . .
C13 C 1.1969(4) 0.4532(2) 0.7695(3) 0.0596(12) Uani 1 1 d . U . . .
H13 H 1.220780 0.412099 0.776945 0.072 Uiso 1 1 calc R U . . .
C14 C 1.1844(5) 0.4910(2) 0.8380(4) 0.0739(14) Uani 1 1 d . U . . .
H14 H 1.200361 0.475724 0.892001 0.089 Uiso 1 1 calc R U . . .
C15 C 1.1485(6) 0.5518(2) 0.8292(4) 0.0768(15) Uani 1 1 d . U . . .
H15 H 1.142218 0.578012 0.876323 0.092 Uiso 1 1 calc R U . . .
C16 C 1.1213(4) 0.5735(2) 0.7473(3) 0.0601(11) Uani 1 1 d . U . . .
H16 H 1.092142 0.613451 0.740681 0.072 Uiso 1 1 calc R U . . .
B4 B 1.1534(3) 0.68123(17) 0.5972(3) 0.0281(7) Uani 1 1 d . . . . .
B5 B 1.2724(3) 0.6796(2) 0.5367(3) 0.0410(10) Uani 1 1 d . . . . .
H5A H 1.305624 0.636719 0.508106 0.049 Uiso 1 1 d R U . . .
B6 B 1.2768(4) 0.7530(2) 0.4806(4) 0.0486(12) Uani 1 1 d . . . . .
H6A H 1.310080 0.757745 0.416197 0.058 Uiso 1 1 d R U . . .
B7 B 1.1612(3) 0.73815(18) 0.6802(3) 0.0353(8) Uani 1 1 d . . . . .
H7A H 1.138(4) 0.729(3) 0.746(4) 0.078(17) Uiso 1 1 d . . . . .
H7B H 1.098(3) 0.7635(19) 0.635(3) 0.040(11) Uiso 1 1 d . . . . .
B8 B 1.2750(4) 0.6935(2) 0.6469(3) 0.0463(11) Uani 1 1 d . . . . .
H8A H 1.312513 0.660082 0.691054 0.056 Uiso 1 1 d R U . . .
B9 B 1.3518(3) 0.7421(3) 0.5749(4) 0.0573(15) Uani 1 1 d . . . . .
H9A H 1.438479 0.738272 0.575535 0.069 Uiso 1 1 d R U . . .
B10 B 1.2855(3) 0.8121(2) 0.5581(4) 0.0491(12) Uani 1 1 d . . . . .
H10 H 1.330558 0.855322 0.544711 0.059 Uiso 1 1 d R U . . .
B11 B 1.1641(3) 0.81196(18) 0.6166(3) 0.0376(9) Uani 1 1 d . . . . .
H11 H 1.143(3) 0.857(2) 0.644(3) 0.039(10) Uiso 1 1 d . . . . .
B12 B 1.2814(4) 0.7795(2) 0.6601(4) 0.0513(13) Uani 1 1 d . . . . .
H12A H 1.321721 0.802612 0.713665 0.062 Uiso 1 1 d 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
O1 C10 1.214(5) . ?
N1 C4 1.356(4) . ?
N1 C8 1.353(4) . ?
N1 C9 1.495(4) . ?
C1 C2 1.576(5) . ?
C1 C4 1.477(5) . ?
C1 B4 1.591(5) . ?
C1 B5 1.724(5) . ?
C1 B6 1.730(5) . ?
C2 C3 1.503(6) . ?
C2 B6 1.729(6) . ?
C2 B10 1.705(6) . ?
C2 B11 1.641(6) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 C5 1.379(5) . ?
C5 H5 0.9300 . ?
C5 C6 1.388(6) . ?
C6 H6 0.9300 . ?
C6 C7 1.371(6) . ?
C7 H7 0.9300 . ?
C7 C8 1.371(6) . ?
C8 H8 0.9300 . ?
C9 H9 0.9800 . ?
C9 C10 1.516(4) . ?
C9 B4 1.626(5) . ?
C10 C11 1.488(6) . ?
C11 C12 1.392(5) . ?
C11 C16 1.376(6) . ?
C12 H12 0.9300 . ?
C12 C13 1.377(6) . ?
C13 H13 0.9300 . ?
C13 C14 1.353(8) . ?
C14 H14 0.9300 . ?
C14 C15 1.374(8) . ?
C15 H15 0.9300 . ?
C15 C16 1.409(7) . ?
C16 H16 0.9300 . ?
B4 B5 1.781(6) . ?
B4 B7 1.781(5) . ?
B4 B8 1.746(6) . ?
B5 H5A 1.0993 . ?
B5 B6 1.790(7) . ?
B5 B8 1.757(7) . ?
B5 B9 1.769(6) . ?
B6 H6A 1.1005 . ?
B6 B9 1.775(9) . ?
B6 B10 1.752(7) . ?
B7 H7A 1.09(6) . ?
B7 H7B 1.20(4) . ?
B7 B8 1.801(6) . ?
B7 B11 1.859(6) . ?
B7 B12 1.783(7) . ?
B8 H8A 1.0997 . ?
B8 B9 1.813(9) . ?
B8 B12 1.838(6) . ?
B9 H9A 1.0995 . ?
B9 B10 1.727(8) . ?
B9 B12 1.793(8) . ?
B10 H10 1.1000 . ?
B10 B11 1.790(6) . ?
B10 B12 1.748(8) . ?
B11 H7B 1.36(4) . ?
B11 H11 1.08(4) . ?
B11 B12 1.773(7) . ?
B12 H12A 1.0999 . ?

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
C4 N1 C9 116.3(3) . . ?
C8 N1 C4 121.9(3) . . ?
C8 N1 C9 121.8(3) . . ?
C2 C1 B4 117.0(3) . . ?
C2 C1 B5 114.5(3) . . ?
C2 C1 B6 62.8(2) . . ?
C4 C1 C2 124.4(3) . . ?
C4 C1 B4 107.2(3) . . ?
C4 C1 B5 113.9(3) . . ?
C4 C1 B6 122.2(3) . . ?
B4 C1 B5 64.9(3) . . ?
B4 C1 B6 118.1(3) . . ?
B5 C1 B6 62.4(3) . . ?
C1 C2 B6 62.9(2) . . ?
C1 C2 B10 108.5(3) . . ?
C1 C2 B11 107.5(3) . . ?
C3 C2 C1 120.7(3) . . ?
C3 C2 B6 116.4(4) . . ?
C3 C2 B10 122.2(3) . . ?
C3 C2 B11 120.1(3) . . ?
B10 C2 B6 61.4(3) . . ?
B11 C2 B6 116.0(3) . . ?
B11 C2 B10 64.7(3) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
N1 C4 C1 110.3(3) . . ?
N1 C4 C5 120.0(3) . . ?
C5 C4 C1 129.7(3) . . ?
C4 C5 H5 120.8 . . ?
C4 C5 C6 118.4(4) . . ?
C6 C5 H5 120.8 . . ?
C5 C6 H6 119.8 . . ?
C7 C6 C5 120.5(4) . . ?
C7 C6 H6 119.8 . . ?
C6 C7 H7 120.0 . . ?
C8 C7 C6 119.9(4) . . ?
C8 C7 H7 120.0 . . ?
N1 C8 C7 119.3(3) . . ?
N1 C8 H8 120.4 . . ?
C7 C8 H8 120.4 . . ?
N1 C9 H9 109.7 . . ?
N1 C9 C10 109.7(3) . . ?
N1 C9 B4 102.2(3) . . ?
C10 C9 H9 109.7 . . ?
C10 C9 B4 115.5(3) . . ?
B4 C9 H9 109.7 . . ?
O1 C10 C9 121.3(3) . . ?
O1 C10 C11 121.6(3) . . ?
C11 C10 C9 117.2(3) . . ?
C12 C11 C10 118.1(4) . . ?
C16 C11 C10 122.8(3) . . ?
C16 C11 C12 119.1(4) . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 120.0(4) . . ?
C13 C12 H12 120.0 . . ?
C12 C13 H13 119.7 . . ?
C14 C13 C12 120.7(4) . . ?
C14 C13 H13 119.7 . . ?
C13 C14 H14 119.5 . . ?
C13 C14 C15 121.0(5) . . ?
C15 C14 H14 119.5 . . ?
C14 C15 H15 120.6 . . ?
C14 C15 C16 118.7(5) . . ?
C16 C15 H15 120.6 . . ?
C11 C16 C15 120.3(4) . . ?
C11 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C1 B4 C9 103.9(3) . . ?
C1 B4 B5 61.2(3) . . ?
C1 B4 B7 106.8(3) . . ?
C1 B4 B8 106.2(3) . . ?
C9 B4 B5 114.6(3) . . ?
C9 B4 B7 133.2(3) . . ?
C9 B4 B8 138.7(3) . . ?
B5 B4 B7 110.9(3) . . ?
B8 B4 B5 59.7(2) . . ?
B8 B4 B7 61.4(2) . . ?
C1 B5 B4 54.0(2) . . ?
C1 B5 H5A 128.5 . . ?
C1 B5 B6 59.0(2) . . ?
C1 B5 B8 100.2(3) . . ?
C1 B5 B9 101.4(3) . . ?
B4 B5 H5A 123.9 . . ?
B4 B5 B6 105.8(3) . . ?
B6 B5 H5A 120.5 . . ?
B8 B5 B4 59.2(2) . . ?
B8 B5 H5A 122.3 . . ?
B8 B5 B6 109.8(3) . . ?
B8 B5 B9 61.9(3) . . ?
B9 B5 B4 106.6(3) . . ?
B9 B5 H5A 122.8 . . ?
B9 B5 B6 59.8(3) . . ?
C1 B6 B5 58.6(2) . . ?
C1 B6 H6A 127.9 . . ?
C1 B6 B9 100.9(3) . . ?
C1 B6 B10 99.8(3) . . ?
C2 B6 C1 54.2(2) . . ?
C2 B6 B5 104.2(3) . . ?
C2 B6 H6A 123.8 . . ?
C2 B6 B9 103.5(3) . . ?
C2 B6 B10 58.7(2) . . ?
B5 B6 H6A 123.0 . . ?
B9 B6 B5 59.5(3) . . ?
B9 B6 H6A 125.1 . . ?
B10 B6 B5 106.5(4) . . ?
B10 B6 H6A 123.3 . . ?
B10 B6 B9 58.6(3) . . ?
B4 B7 H7A 124(3) . . ?
B4 B7 H7B 80(2) . . ?
B4 B7 B8 58.3(2) . . ?
B4 B7 B11 100.3(3) . . ?
B4 B7 B12 104.6(3) . . ?
H7A B7 H7B 117(3) . . ?
B8 B7 H7A 114(3) . . ?
B8 B7 H7B 127(2) . . ?
B8 B7 B11 105.8(3) . . ?
B11 B7 H7A 131(3) . . ?
B11 B7 H7B 47.0(19) . . ?
B12 B7 H7A 119(3) . . ?
B12 B7 H7B 104(2) . . ?
B12 B7 B8 61.7(3) . . ?
B12 B7 B11 58.2(3) . . ?
B4 B8 B5 61.1(2) . . ?
B4 B8 B7 60.2(2) . . ?
B4 B8 H8A 124.5 . . ?
B4 B8 B9 106.1(3) . . ?
B4 B8 B12 103.7(3) . . ?
B5 B8 B7 111.0(3) . . ?
B5 B8 H8A 121.4 . . ?
B5 B8 B9 59.4(3) . . ?
B5 B8 B12 106.2(4) . . ?
B7 B8 H8A 120.1 . . ?
B7 B8 B9 108.1(3) . . ?
B7 B8 B12 58.7(2) . . ?
B9 B8 H8A 122.0 . . ?
B9 B8 B12 58.8(3) . . ?
B12 B8 H8A 123.4 . . ?
B5 B9 B6 60.7(3) . . ?
B5 B9 B8 58.7(3) . . ?
B5 B9 H9A 121.0 . . ?
B5 B9 B12 107.6(3) . . ?
B6 B9 B8 107.9(3) . . ?
B6 B9 H9A 123.4 . . ?
B6 B9 B12 107.4(3) . . ?
B8 B9 H9A 119.1 . . ?
B10 B9 B5 108.5(3) . . ?
B10 B9 B6 60.0(3) . . ?
B10 B9 B8 108.9(3) . . ?
B10 B9 H9A 123.3 . . ?
B10 B9 B12 59.5(3) . . ?
B12 B9 B8 61.3(3) . . ?
B12 B9 H9A 121.4 . . ?
C2 B10 B6 60.0(2) . . ?
C2 B10 B9 106.6(3) . . ?
C2 B10 H10 125.8 . . ?
C2 B10 B11 55.9(2) . . ?
C2 B10 B12 103.8(3) . . ?
B6 B10 H10 119.8 . . ?
B6 B10 B11 107.6(3) . . ?
B9 B10 B6 61.3(3) . . ?
B9 B10 H10 119.6 . . ?
B9 B10 B11 109.7(4) . . ?
B9 B10 B12 62.1(3) . . ?
B11 B10 H10 123.0 . . ?
B12 B10 B6 110.6(4) . . ?
B12 B10 H10 121.4 . . ?
B12 B10 B11 60.1(3) . . ?
C2 B11 B7 108.2(3) . . ?
C2 B11 H7B 91.7(18) . . ?
C2 B11 B10 59.4(3) . . ?
C2 B11 H11 127(2) . . ?
C2 B11 B12 105.4(3) . . ?
B7 B11 H7B 40.1(18) . . ?
B7 B11 H11 122(2) . . ?
H7B B11 H11 116(3) . . ?
B10 B11 B7 107.1(3) . . ?
B10 B11 H7B 129.9(18) . . ?
B10 B11 H11 114(2) . . ?
B12 B11 B7 58.8(3) . . ?
B12 B11 H7B 98.1(18) . . ?
B12 B11 B10 58.7(3) . . ?
B12 B11 H11 114(2) . . ?
B7 B12 B8 59.6(2) . . ?
B7 B12 B9 109.8(3) . . ?
B7 B12 H12A 118.7 . . ?
B8 B12 H12A 123.4 . . ?
B9 B12 B8 59.9(3) . . ?
B9 B12 H12A 122.5 . . ?
B10 B12 B7 112.5(3) . . ?
B10 B12 B8 107.0(3) . . ?
B10 B12 B9 58.4(3) . . ?
B10 B12 B11 61.1(3) . . ?
B10 B12 H12A 120.7 . . ?
B11 B12 B7 63.0(3) . . ?
B11 B12 B8 107.8(3) . . ?
B11 B12 B9 107.5(4) . . ?
B11 B12 H12A 120.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C10 C11 C12 -3.3(6) . . . . ?
O1 C10 C11 C16 176.3(5) . . . . ?
N1 C4 C5 C6 0.4(6) . . . . ?
N1 C9 C10 O1 7.7(5) . . . . ?
N1 C9 C10 C11 -172.5(3) . . . . ?
N1 C9 B4 C1 1.2(3) . . . . ?
N1 C9 B4 B5 -63.2(3) . . . . ?
N1 C9 B4 B7 131.1(4) . . . . ?
N1 C9 B4 B8 -134.6(4) . . . . ?
C1 C2 B6 B5 -32.4(3) . . . . ?
C1 C2 B6 B9 -93.9(3) . . . . ?
C1 C2 B6 B10 -133.2(4) . . . . ?
C1 C2 B10 B6 43.2(3) . . . . ?
C1 C2 B10 B9 1.8(5) . . . . ?
C1 C2 B10 B11 -101.1(3) . . . . ?
C1 C2 B10 B12 -62.8(4) . . . . ?
C1 C2 B11 B7 3.1(4) . . . . ?
C1 C2 B11 B10 102.7(3) . . . . ?
C1 C2 B11 B12 64.7(4) . . . . ?
C1 C4 C5 C6 179.1(4) . . . . ?
C1 B4 B5 B6 29.7(3) . . . . ?
C1 B4 B5 B8 133.6(3) . . . . ?
C1 B4 B5 B9 92.2(4) . . . . ?
C1 B4 B7 B8 -99.6(3) . . . . ?
C1 B4 B7 B11 2.6(3) . . . . ?
C1 B4 B7 B12 -57.0(4) . . . . ?
C1 B4 B8 B5 -41.3(3) . . . . ?
C1 B4 B8 B7 100.7(3) . . . . ?
C1 B4 B8 B9 -1.3(4) . . . . ?
C1 B4 B8 B12 59.8(4) . . . . ?
C1 B5 B6 C2 30.6(3) . . . . ?
C1 B5 B6 B9 128.1(3) . . . . ?
C1 B5 B6 B10 91.6(3) . . . . ?
C1 B5 B8 B4 36.5(2) . . . . ?
C1 B5 B8 B7 1.6(4) . . . . ?
C1 B5 B8 B9 -97.6(3) . . . . ?
C1 B5 B8 B12 -60.5(4) . . . . ?
C1 B5 B9 B6 -43.5(3) . . . . ?
C1 B5 B9 B8 95.6(3) . . . . ?
C1 B5 B9 B10 -5.8(5) . . . . ?
C1 B5 B9 B12 57.1(5) . . . . ?
C1 B6 B9 B5 43.2(3) . . . . ?
C1 B6 B9 B8 7.1(4) . . . . ?
C1 B6 B9 B10 -94.9(3) . . . . ?
C1 B6 B9 B12 -57.6(4) . . . . ?
C1 B6 B10 C2 -36.9(3) . . . . ?
C1 B6 B10 B9 96.9(4) . . . . ?
C1 B6 B10 B11 -6.3(5) . . . . ?
C1 B6 B10 B12 57.6(4) . . . . ?
C2 C1 C4 N1 -140.0(3) . . . . ?
C2 C1 C4 C5 41.2(6) . . . . ?
C2 C1 B4 C9 143.3(3) . . . . ?
C2 C1 B4 B5 -106.0(3) . . . . ?
C2 C1 B4 B7 -1.0(4) . . . . ?
C2 C1 B4 B8 -65.3(4) . . . . ?
C2 C1 B5 B4 109.7(3) . . . . ?
C2 C1 B5 B6 -36.5(3) . . . . ?
C2 C1 B5 B8 70.6(4) . . . . ?
C2 C1 B5 B9 7.4(4) . . . . ?
C2 C1 B6 B5 142.5(3) . . . . ?
C2 C1 B6 B9 98.9(3) . . . . ?
C2 C1 B6 B10 39.2(3) . . . . ?
C2 B6 B9 B5 98.7(3) . . . . ?
C2 B6 B9 B8 62.6(4) . . . . ?
C2 B6 B9 B10 -39.4(3) . . . . ?
C2 B6 B9 B12 -2.1(4) . . . . ?
C2 B6 B10 B9 133.8(3) . . . . ?
C2 B6 B10 B11 30.5(3) . . . . ?
C2 B6 B10 B12 94.5(3) . . . . ?
C2 B10 B11 B7 101.4(3) . . . . ?
C2 B10 B11 B12 136.1(3) . . . . ?
C2 B10 B12 B7 1.6(4) . . . . ?
C2 B10 B12 B8 65.1(4) . . . . ?
C2 B10 B12 B9 101.7(3) . . . . ?
C2 B10 B12 B11 -36.2(3) . . . . ?
C2 B11 B12 B7 -102.3(3) . . . . ?
C2 B11 B12 B8 -61.7(4) . . . . ?
C2 B11 B12 B9 1.5(4) . . . . ?
C2 B11 B12 B10 38.2(3) . . . . ?
C3 C2 B6 C1 -112.8(4) . . . . ?
C3 C2 B6 B5 -145.1(3) . . . . ?
C3 C2 B6 B9 153.4(4) . . . . ?
C3 C2 B6 B10 114.0(4) . . . . ?
C3 C2 B10 B6 -104.8(4) . . . . ?
C3 C2 B10 B9 -146.1(4) . . . . ?
C3 C2 B10 B11 111.0(4) . . . . ?
C3 C2 B10 B12 149.3(4) . . . . ?
C3 C2 B11 B7 146.4(3) . . . . ?
C3 C2 B11 B10 -114.0(4) . . . . ?
C3 C2 B11 B12 -152.0(3) . . . . ?
C4 N1 C8 C7 0.1(5) . . . . ?
C4 N1 C9 C10 -123.2(3) . . . . ?
C4 N1 C9 B4 -0.1(3) . . . . ?
C4 C1 C2 C3 -5.9(5) . . . . ?
C4 C1 C2 B6 -112.0(4) . . . . ?
C4 C1 C2 B10 -154.4(3) . . . . ?
C4 C1 C2 B11 137.2(3) . . . . ?
C4 C1 B4 C9 -1.8(3) . . . . ?
C4 C1 B4 B5 108.9(3) . . . . ?
C4 C1 B4 B7 -146.1(3) . . . . ?
C4 C1 B4 B8 149.5(3) . . . . ?
C4 C1 B5 B4 -98.6(3) . . . . ?
C4 C1 B5 B6 115.2(4) . . . . ?
C4 C1 B5 B8 -137.7(3) . . . . ?
C4 C1 B5 B9 159.1(3) . . . . ?
C4 C1 B6 C2 115.2(4) . . . . ?
C4 C1 B6 B5 -102.2(4) . . . . ?
C4 C1 B6 B9 -145.9(3) . . . . ?
C4 C1 B6 B10 154.4(3) . . . . ?
C4 C5 C6 C7 0.3(6) . . . . ?
C5 C6 C7 C8 -0.8(7) . . . . ?
C6 C7 C8 N1 0.6(6) . . . . ?
C8 N1 C4 C1 -179.5(3) . . . . ?
C8 N1 C4 C5 -0.5(5) . . . . ?
C8 N1 C9 C10 55.1(4) . . . . ?
C8 N1 C9 B4 178.2(3) . . . . ?
C9 N1 C4 C1 -1.2(4) . . . . ?
C9 N1 C4 C5 177.8(3) . . . . ?
C9 N1 C8 C7 -178.2(3) . . . . ?
C9 C10 C11 C12 176.9(4) . . . . ?
C9 C10 C11 C16 -3.6(6) . . . . ?
C9 B4 B5 C1 92.8(3) . . . . ?
C9 B4 B5 B6 122.5(3) . . . . ?
C9 B4 B5 B8 -133.6(3) . . . . ?
C9 B4 B5 B9 -175.0(3) . . . . ?
C9 B4 B7 B8 131.4(4) . . . . ?
C9 B4 B7 B11 -126.3(4) . . . . ?
C9 B4 B7 B12 174.0(4) . . . . ?
C9 B4 B8 B5 93.8(5) . . . . ?
C9 B4 B8 B7 -124.2(5) . . . . ?
C9 B4 B8 B9 133.9(5) . . . . ?
C9 B4 B8 B12 -165.1(4) . . . . ?
C10 C9 B4 C1 120.3(3) . . . . ?
C10 C9 B4 B5 56.0(4) . . . . ?
C10 C9 B4 B7 -109.8(4) . . . . ?
C10 C9 B4 B8 -15.5(6) . . . . ?
C10 C11 C12 C13 178.0(4) . . . . ?
C10 C11 C16 C15 -175.3(5) . . . . ?
C11 C12 C13 C14 -0.8(8) . . . . ?
C12 C11 C16 C15 4.3(8) . . . . ?
C12 C13 C14 C15 0.6(9) . . . . ?
C13 C14 C15 C16 2.1(10) . . . . ?
C14 C15 C16 C11 -4.6(9) . . . . ?
C16 C11 C12 C13 -1.6(7) . . . . ?
B4 C1 C2 C3 -144.5(4) . . . . ?
B4 C1 C2 B6 109.4(4) . . . . ?
B4 C1 C2 B10 67.0(4) . . . . ?
B4 C1 C2 B11 -1.5(4) . . . . ?
B4 C1 C4 N1 1.9(4) . . . . ?
B4 C1 C4 C5 -176.9(4) . . . . ?
B4 C1 B5 B6 -146.2(3) . . . . ?
B4 C1 B5 B8 -39.2(3) . . . . ?
B4 C1 B5 B9 -102.3(4) . . . . ?
B4 C1 B6 C2 -107.8(3) . . . . ?
B4 C1 B6 B5 34.8(3) . . . . ?
B4 C1 B6 B9 -8.9(4) . . . . ?
B4 C1 B6 B10 -68.6(4) . . . . ?
B4 C9 C10 O1 -107.2(4) . . . . ?
B4 C9 C10 C11 72.6(4) . . . . ?
B4 B5 B6 C1 -27.8(3) . . . . ?
B4 B5 B6 C2 2.7(4) . . . . ?
B4 B5 B6 B9 100.3(3) . . . . ?
B4 B5 B6 B10 63.7(4) . . . . ?
B4 B5 B8 B7 -34.9(3) . . . . ?
B4 B5 B8 B9 -134.1(3) . . . . ?
B4 B5 B8 B12 -97.0(3) . . . . ?
B4 B5 B9 B6 -99.0(3) . . . . ?
B4 B5 B9 B8 40.1(3) . . . . ?
B4 B5 B9 B10 -61.3(5) . . . . ?
B4 B5 B9 B12 1.6(5) . . . . ?
B4 B7 B8 B5 35.3(3) . . . . ?
B4 B7 B8 B9 98.6(3) . . . . ?
B4 B7 B8 B12 131.9(3) . . . . ?
B4 B7 B11 C2 -3.5(4) . . . . ?
B4 B7 B11 B10 -66.1(3) . . . . ?
B4 B7 B11 B12 -100.8(3) . . . . ?
B4 B7 B12 B8 -40.9(3) . . . . ?
B4 B7 B12 B9 -6.8(5) . . . . ?
B4 B7 B12 B10 56.2(4) . . . . ?
B4 B7 B12 B11 93.3(3) . . . . ?
B4 B8 B9 B5 -40.9(3) . . . . ?
B4 B8 B9 B6 -4.0(4) . . . . ?
B4 B8 B9 B10 59.7(4) . . . . ?
B4 B8 B9 B12 96.5(3) . . . . ?
B4 B8 B12 B7 41.7(3) . . . . ?
B4 B8 B12 B9 -100.8(4) . . . . ?
B4 B8 B12 B10 -64.9(4) . . . . ?
B4 B8 B12 B11 -0.5(5) . . . . ?
B5 C1 C2 C3 142.4(4) . . . . ?
B5 C1 C2 B6 36.3(3) . . . . ?
B5 C1 C2 B10 -6.1(4) . . . . ?
B5 C1 C2 B11 -74.5(4) . . . . ?
B5 C1 C4 N1 71.4(4) . . . . ?
B5 C1 C4 C5 -107.4(4) . . . . ?
B5 C1 B4 C9 -110.7(3) . . . . ?
B5 C1 B4 B7 105.0(3) . . . . ?
B5 C1 B4 B8 40.6(3) . . . . ?
B5 C1 B6 C2 -142.5(3) . . . . ?
B5 C1 B6 B9 -43.7(3) . . . . ?
B5 C1 B6 B10 -103.4(4) . . . . ?
B5 B4 B7 B8 -34.7(3) . . . . ?
B5 B4 B7 B11 67.5(3) . . . . ?
B5 B4 B7 B12 7.9(4) . . . . ?
B5 B4 B8 B7 142.0(3) . . . . ?
B5 B4 B8 B9 40.1(3) . . . . ?
B5 B4 B8 B12 101.1(4) . . . . ?
B5 B6 B9 B8 -36.1(3) . . . . ?
B5 B6 B9 B10 -138.0(3) . . . . ?
B5 B6 B9 B12 -100.8(4) . . . . ?
B5 B6 B10 C2 -96.9(3) . . . . ?
B5 B6 B10 B9 36.9(3) . . . . ?
B5 B6 B10 B11 -66.3(4) . . . . ?
B5 B6 B10 B12 -2.4(4) . . . . ?
B5 B8 B9 B6 36.9(3) . . . . ?
B5 B8 B9 B10 100.6(4) . . . . ?
B5 B8 B9 B12 137.4(3) . . . . ?
B5 B8 B12 B7 105.1(3) . . . . ?
B5 B8 B12 B9 -37.3(3) . . . . ?
B5 B8 B12 B10 -1.4(4) . . . . ?
B5 B8 B12 B11 62.9(4) . . . . ?
B5 B9 B10 C2 2.8(5) . . . . ?
B5 B9 B10 B6 -37.9(4) . . . . ?
B5 B9 B10 B11 61.9(5) . . . . ?
B5 B9 B10 B12 100.0(4) . . . . ?
B5 B9 B12 B7 3.4(5) . . . . ?
B5 B9 B12 B8 37.3(3) . . . . ?
B5 B9 B12 B10 -101.5(4) . . . . ?
B5 B9 B12 B11 -63.5(5) . . . . ?
B6 C1 C2 C3 106.1(4) . . . . ?
B6 C1 C2 B10 -42.4(3) . . . . ?
B6 C1 C2 B11 -110.8(4) . . . . ?
B6 C1 C4 N1 142.8(3) . . . . ?
B6 C1 C4 C5 -36.0(6) . . . . ?
B6 C1 B4 C9 -144.7(3) . . . . ?
B6 C1 B4 B5 -33.9(3) . . . . ?
B6 C1 B4 B7 71.1(4) . . . . ?
B6 C1 B4 B8 6.7(4) . . . . ?
B6 C1 B5 B4 146.2(3) . . . . ?
B6 C1 B5 B8 107.1(3) . . . . ?
B6 C1 B5 B9 43.9(3) . . . . ?
B6 C2 B10 B9 -41.4(4) . . . . ?
B6 C2 B10 B11 -144.2(4) . . . . ?
B6 C2 B10 B12 -106.0(4) . . . . ?
B6 C2 B11 B7 -64.7(4) . . . . ?
B6 C2 B11 B10 34.8(3) . . . . ?
B6 C2 B11 B12 -3.1(4) . . . . ?
B6 B5 B8 B4 97.0(3) . . . . ?
B6 B5 B8 B7 62.1(4) . . . . ?
B6 B5 B8 B9 -37.1(3) . . . . ?
B6 B5 B8 B12 0.0(4) . . . . ?
B6 B5 B9 B8 139.0(3) . . . . ?
B6 B5 B9 B10 37.6(4) . . . . ?
B6 B5 B9 B12 100.5(4) . . . . ?
B6 B9 B10 C2 40.7(3) . . . . ?
B6 B9 B10 B11 99.8(4) . . . . ?
B6 B9 B10 B12 137.9(3) . . . . ?
B6 B9 B12 B7 67.3(5) . . . . ?
B6 B9 B12 B8 101.3(4) . . . . ?
B6 B9 B12 B10 -37.5(3) . . . . ?
B6 B9 B12 B11 0.4(5) . . . . ?
B6 B10 B11 C2 -32.1(3) . . . . ?
B6 B10 B11 B7 69.4(4) . . . . ?
B6 B10 B11 B12 104.1(4) . . . . ?
B6 B10 B12 B7 -61.1(4) . . . . ?
B6 B10 B12 B8 2.4(4) . . . . ?
B6 B10 B12 B9 38.9(3) . . . . ?
B6 B10 B12 B11 -99.0(3) . . . . ?
B7 B4 B5 C1 -98.3(3) . . . . ?
B7 B4 B5 B6 -68.6(4) . . . . ?
B7 B4 B5 B8 35.4(3) . . . . ?
B7 B4 B5 B9 -6.0(4) . . . . ?
B7 B4 B8 B5 -142.0(3) . . . . ?
B7 B4 B8 B9 -101.9(3) . . . . ?
B7 B4 B8 B12 -40.9(3) . . . . ?
B7 B8 B9 B5 -104.2(3) . . . . ?
B7 B8 B9 B6 -67.3(4) . . . . ?
B7 B8 B9 B10 -3.6(5) . . . . ?
B7 B8 B9 B12 33.2(3) . . . . ?
B7 B8 B12 B9 -142.5(4) . . . . ?
B7 B8 B12 B10 -106.6(4) . . . . ?
B7 B8 B12 B11 -42.2(3) . . . . ?
B7 B11 B12 B8 40.6(3) . . . . ?
B7 B11 B12 B9 103.8(3) . . . . ?
B7 B11 B12 B10 140.5(3) . . . . ?
B8 B4 B5 C1 -133.6(3) . . . . ?
B8 B4 B5 B6 -104.0(3) . . . . ?
B8 B4 B5 B9 -41.4(3) . . . . ?
B8 B4 B7 B11 102.2(3) . . . . ?
B8 B4 B7 B12 42.6(3) . . . . ?
B8 B5 B6 C1 -90.2(3) . . . . ?
B8 B5 B6 C2 -59.6(4) . . . . ?
B8 B5 B6 B9 38.0(3) . . . . ?
B8 B5 B6 B10 1.4(4) . . . . ?
B8 B5 B9 B6 -139.0(3) . . . . ?
B8 B5 B9 B10 -101.4(4) . . . . ?
B8 B5 B9 B12 -38.5(4) . . . . ?
B8 B7 B11 C2 56.3(4) . . . . ?
B8 B7 B11 B10 -6.3(4) . . . . ?
B8 B7 B11 B12 -41.0(3) . . . . ?
B8 B7 B12 B9 34.1(4) . . . . ?
B8 B7 B12 B10 97.1(4) . . . . ?
B8 B7 B12 B11 134.2(3) . . . . ?
B8 B9 B10 C2 -59.5(5) . . . . ?
B8 B9 B10 B6 -100.3(3) . . . . ?
B8 B9 B10 B11 -0.5(5) . . . . ?
B8 B9 B10 B12 37.6(3) . . . . ?
B8 B9 B12 B7 -34.0(3) . . . . ?
B8 B9 B12 B10 -138.8(3) . . . . ?
B8 B9 B12 B11 -100.9(3) . . . . ?
B9 B5 B6 C1 -128.1(3) . . . . ?
B9 B5 B6 C2 -97.5(3) . . . . ?
B9 B5 B6 B10 -36.5(3) . . . . ?
B9 B5 B8 B4 134.1(3) . . . . ?
B9 B5 B8 B7 99.1(3) . . . . ?
B9 B5 B8 B12 37.1(3) . . . . ?
B9 B6 B10 C2 -133.8(3) . . . . ?
B9 B6 B10 B11 -103.3(4) . . . . ?
B9 B6 B10 B12 -39.3(3) . . . . ?
B9 B8 B12 B7 142.5(4) . . . . ?
B9 B8 B12 B10 35.9(3) . . . . ?
B9 B8 B12 B11 100.3(4) . . . . ?
B9 B10 B11 C2 -97.1(4) . . . . ?
B9 B10 B11 B7 4.3(4) . . . . ?
B9 B10 B11 B12 39.0(3) . . . . ?
B9 B10 B12 B7 -100.1(3) . . . . ?
B9 B10 B12 B8 -36.5(3) . . . . ?
B9 B10 B12 B11 -137.9(3) . . . . ?
B10 C2 B6 C1 133.2(4) . . . . ?
B10 C2 B6 B5 100.8(4) . . . . ?
B10 C2 B6 B9 39.4(3) . . . . ?
B10 C2 B11 B7 -99.5(3) . . . . ?
B10 C2 B11 B12 -37.9(3) . . . . ?
B10 B6 B9 B5 138.0(3) . . . . ?
B10 B6 B9 B8 101.9(4) . . . . ?
B10 B6 B9 B12 37.3(3) . . . . ?
B10 B9 B12 B7 104.9(4) . . . . ?
B10 B9 B12 B8 138.8(3) . . . . ?
B10 B9 B12 B11 38.0(3) . . . . ?
B10 B11 B12 B7 -140.5(3) . . . . ?
B10 B11 B12 B8 -99.9(4) . . . . ?
B10 B11 B12 B9 -36.7(3) . . . . ?
B11 C2 B6 C1 97.2(3) . . . . ?
B11 C2 B6 B5 64.8(4) . . . . ?
B11 C2 B6 B9 3.4(4) . . . . ?
B11 C2 B6 B10 -36.0(3) . . . . ?
B11 C2 B10 B6 144.2(4) . . . . ?
B11 C2 B10 B9 102.9(4) . . . . ?
B11 C2 B10 B12 38.2(3) . . . . ?
B11 B7 B8 B4 -92.6(3) . . . . ?
B11 B7 B8 B5 -57.3(4) . . . . ?
B11 B7 B8 B9 6.1(4) . . . . ?
B11 B7 B8 B12 39.3(3) . . . . ?
B11 B7 B12 B8 -134.2(3) . . . . ?
B11 B7 B12 B9 -100.1(4) . . . . ?
B11 B7 B12 B10 -37.1(3) . . . . ?
B11 B10 B12 B7 37.8(3) . . . . ?
B11 B10 B12 B8 101.4(3) . . . . ?
B11 B10 B12 B9 137.9(3) . . . . ?
B12 B7 B8 B4 -131.9(3) . . . . ?
B12 B7 B8 B5 -96.6(4) . . . . ?
B12 B7 B8 B9 -33.3(3) . . . . ?
B12 B7 B11 C2 97.3(3) . . . . ?
B12 B7 B11 B10 34.7(3) . . . . ?
B12 B8 B9 B5 -137.4(3) . . . . ?
B12 B8 B9 B6 -100.5(4) . . . . ?
B12 B8 B9 B10 -36.8(3) . . . . ?
B12 B9 B10 C2 -97.2(3) . . . . ?
B12 B9 B10 B6 -137.9(3) . . . . ?
B12 B9 B10 B11 -38.1(3) . . . . ?
B12 B10 B11 C2 -136.1(3) . . . . ?
B12 B10 B11 B7 -34.7(3) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.614 138.0 55.7 ?
2 0.000 0.500 0.114 138.0 55.7 ?
3 0.500 0.500 0.614 138.0 55.7 ?
4 0.500 0.000 0.114 138.0 55.7 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 -0.50559
2 1.50559

####################################################################### 
# 
# 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_5fi
_database_code_depnum_ccdc_archive 'CCDC 2004241'
loop_
_audit_author_name
_audit_author_address
'Hou-ji Cao'
;Nanjing University
China
;
_audit_update_record             
;
2020-05-16 deposited with the CCDC.	2021-11-19 downloaded from the CCDC.
;
_audit_creation_date             2020-05-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r1)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '6(C19 H27 B10 N O)'
_chemical_formula_sum            'C114 H162 B60 N6 O6'
_chemical_formula_weight         2361.09
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   11.866(5)
_cell_length_b                   24.030(9)
_cell_length_c                   24.784(9)
_cell_angle_alpha                79.345(6)
_cell_angle_beta                 88.967(7)
_cell_angle_gamma                89.790(7)
_cell_volume                     6944(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    1534
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      17.24
_cell_measurement_theta_min      2.42
_shelx_estimated_absorpt_T_max   0.995
_shelx_estimated_absorpt_T_min   0.995
_exptl_absorpt_coefficient_mu    0.061
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6259
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0827 before and 0.0597 after correction.
The Ratio of minimum to maximum transmission is 0.8395.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.129
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2472
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1707
_diffrn_reflns_av_unetI/netI     0.3003
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            64306
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         27.445
_diffrn_reflns_theta_min         1.307
_diffrn_ambient_temperature      296.15
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6765
_reflns_number_total             31397
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.188
_refine_diff_density_min         -0.218
_refine_diff_density_rms         0.045
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.858
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1681
_refine_ls_number_reflns         31397
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.3408
_refine_ls_R_factor_gt           0.0833
_refine_ls_restrained_S_all      0.858
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0762P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1684
_refine_ls_wR_factor_ref         0.2763
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C026(H026), C037(H037), C02S(H02S), C030(H030), C01P(H01P), C03N(H3AA)
2.b Secondary CH2 refined with riding coordinates:
 C01O(H01A,H01B), C04O(H04A,H04B), C053(H05A,H05B), C02C(H02B,H02C), C04I(H04H,
 H04I), C055(H05C,H05D), C03M(H03A,H03B), C04L(H04Q,H04R), C019(H01C,H01D),
 C04V(H04,H), C020(H02E,H02F), C054(H05E,H05F), C01L(H01E,H01H), C03W(H03N,
 H03O), C04Y(H2AA,HA), C01Y(H01L,H01M), C04K(H4AA,HD), C056(H05G,H05H)
2.c Aromatic/amide H refined with riding coordinates:
 C01T(H01T), C01V(H01V), C02A(H02A), C02K(H02K), C02V(H02V), C03D(H03D),
 C022(H022), C027(H027), C01Z(H01Z), C02W(H02W), C02Z(H02Z), C03H(H03H),
 C010(H010), C021(H021), C029(H029), C036(H036), C00O(H00O), C01W(H01W),
 C02H(H02H), C02L(H02L), C02O(H02O), C02P(H02P), C013(H013), C024(H024),
 C01G(H01G), C01J(H01J), C01S(H01S), C02B(H02D), C03G(H03G), C03T(H03T),
 C040(H040), C051(H051), C01F(H01F), C01I(H01I), C01N(H01N), C01Q(H01Q),
 C01U(H01U), C03F(H03M), C015(H015), C023(H023), C01E(H01K), C01X(H01X),
 C02D(H02J), C02G(H02M), C02J(H02T), C03J(H03), C016(H016), C028(H028)
2.d Idealised Me refined as rotating group:
 C041(H04C,H04D,H04E), C046(H04J,H04K,H04L), C042(H04S,H04U,H04V), C03I(H03C,
 H03E,H03F), C03A(H03I,H03J,H03L), C03C(H03Z,HB,HC)
2.e Boron cage BH refined with riding coordinates:
 B02Q(H02Q), B03R(H03R), B03V(H03V), B04C(H04F), B04E(H04G), B04M(H04M),
 B032(H032), B035(H035), B045(H045), B03S(H03S), B04A(H04N), B04J(H04O),
 B04N(H04P), B04T(H04T), B04W(H04W), B04Z(H04Z), B050(H050), B052(H052),
 B03P(H03P), B03U(H03U), B03X(H03X), B04D(H04X), B04U(H04Y), B039(H039),
 B043(H043), B047(H047), B049(H049), B02I(H02I), B02N(H02N), B02R(H02R),
 B02Y(H02Y), B03K(H03K), B04F(H0AA), B04G(H1AA), B031(H031), B038(H038),
 B01R(H01R), B02F(H02G), B02U(H02U), B03B(H03Q), B03O(H03W), B03Q(H03Y),
 B033(H033), B034(H034), B044(H044), B02T(H02X), B04B(H5AA), B04H(H6AA),
 B04P(H7AA), B04Q(H8AA), B04R(H9AA), B04S(H0BA), B04X(H1BA), B048(H048)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O009 O -0.3946(4) 0.31664(17) 0.29313(17) 0.1013(14) Uani 1 1 d . . . . .
N001 N -0.8140(4) 0.25582(18) 0.24848(17) 0.0616(12) Uani 1 1 d . . . . .
C00P C -0.7288(4) 0.29106(19) 0.11733(17) 0.0468(12) Uani 1 1 d . . . . .
C00Q C -0.8498(4) 0.2781(2) 0.10888(19) 0.0491(13) Uani 1 1 d . . . . .
C00S C -0.7789(4) 0.3061(2) 0.22291(19) 0.0507(13) Uani 1 1 d . . . . .
C00U C -0.6893(4) 0.30663(18) 0.17879(18) 0.0469(12) Uani 1 1 d . . . . .
C01C C -0.4106(5) 0.2750(2) 0.2729(2) 0.0651(15) Uani 1 1 d . . . . .
C01O C -0.5273(4) 0.2592(2) 0.25889(18) 0.0627(15) Uani 1 1 d . . . . .
H01A H -0.5818 0.2749 0.2816 0.075 Uiso 1 1 calc R . . . .
H01B H -0.5350 0.2183 0.2669 0.075 Uiso 1 1 calc R . . . .
C01T C -0.8938(5) 0.2245(2) 0.1248(2) 0.0695(16) Uani 1 1 d . . . . .
H01T H -0.8478 0.1957 0.1427 0.083 Uiso 1 1 calc R . . . .
C01V C -0.8913(5) 0.2547(2) 0.2892(2) 0.0716(16) Uani 1 1 d . . . . .
H01V H -0.9164 0.2196 0.3077 0.086 Uiso 1 1 calc R . . . .
C02A C -0.9352(5) 0.3020(3) 0.3051(2) 0.0801(18) Uani 1 1 d . . . . .
H02A H -0.9886 0.2990 0.3334 0.096 Uiso 1 1 calc R . . . .
C02K C -0.9228(5) 0.3185(2) 0.0817(2) 0.0793(18) Uani 1 1 d . . . . .
H02K H -0.8966 0.3551 0.0693 0.095 Uiso 1 1 calc R . . . .
C02V C -0.8982(5) 0.3537(3) 0.2781(2) 0.087(2) Uani 1 1 d . . . . .
H02V H -0.9261 0.3868 0.2879 0.104 Uiso 1 1 calc R . . . .
C03D C -1.0330(5) 0.3059(3) 0.0725(3) 0.095(2) Uani 1 1 d . . . . .
H03D H -1.0797 0.3345 0.0549 0.114 Uiso 1 1 calc R . . . .
C04O C -0.2232(5) 0.2304(3) 0.3007(3) 0.113(2) Uani 1 1 d . . . . .
H04A H -0.2306 0.2481 0.3327 0.136 Uiso 1 1 calc R . . . .
H04B H -0.1863 0.1937 0.3073 0.136 Uiso 1 1 calc R . . . .
C018 C -1.0756(4) 0.2532(3) 0.0883(2) 0.0691(16) Uani 1 1 d . . . . .
C022 C -0.8191(5) 0.3564(2) 0.2362(2) 0.0743(17) Uani 1 1 d . . . . .
H022 H -0.7931 0.3912 0.2173 0.089 Uiso 1 1 calc R . . . .
C026 C -0.3161(5) 0.2394(2) 0.2600(2) 0.0754(17) Uani 1 1 d . . . . .
H026 H -0.3341 0.2080 0.2415 0.091 Uiso 1 1 calc R . . . .
C027 C -1.0043(5) 0.2123(3) 0.1149(2) 0.0799(18) Uani 1 1 d . . . . .
H027 H -1.0312 0.1757 0.1266 0.096 Uiso 1 1 calc R . . . .
C041 C -1.1983(4) 0.2393(2) 0.0789(2) 0.091(2) Uani 1 1 d . . . . .
H04C H -1.2028 0.2020 0.0704 0.136 Uiso 1 1 calc GR . . . .
H04D H -1.2270 0.2664 0.0489 0.136 Uiso 1 1 calc GR . . . .
H04E H -1.2422 0.2409 0.1115 0.136 Uiso 1 1 calc GR . . . .
C053 C -0.2033(6) 0.2674(3) 0.2471(3) 0.130(3) Uani 1 1 d . . . . .
H05A H -0.1544 0.2535 0.2208 0.156 Uiso 1 1 calc R . . . .
H05B H -0.1987 0.3079 0.2463 0.156 Uiso 1 1 calc R . . . .
B02Q B -0.6505(4) 0.2427(2) 0.1628(2) 0.0489(15) Uani 1 1 d . . . . .
H02Q H -0.6845 0.2019 0.1843 0.059 Uiso 1 1 calc R . . . .
B03R B -0.6951(5) 0.3602(2) 0.1216(2) 0.0563(16) Uani 1 1 d . . . . .
H03R H -0.7566 0.3951 0.1166 0.068 Uiso 1 1 calc R . . . .
B03V B -0.5102(5) 0.2510(2) 0.1386(2) 0.0540(16) Uani 1 1 d . . . . .
H03V H -0.4511 0.2151 0.1438 0.065 Uiso 1 1 calc R . . . .
B03Z B -0.5541(5) 0.2819(2) 0.1954(2) 0.0550(16) Uani 1 1 d . . . . .
B04C B -0.5832(5) 0.3547(3) 0.1701(2) 0.0607(17) Uani 1 1 d . . . . .
H04F H -0.5721 0.3864 0.1964 0.073 Uiso 1 1 calc R . . . .
B04E B -0.5075(5) 0.3050(3) 0.0789(2) 0.0623(18) Uani 1 1 d . . . . .
H04G H -0.4452 0.3045 0.0456 0.075 Uiso 1 1 calc R . . . .
B04M B -0.4674(5) 0.3215(3) 0.1428(2) 0.0629(18) Uani 1 1 d . . . . .
H04M H -0.3798 0.3321 0.1507 0.075 Uiso 1 1 calc R . . . .
B032 B -0.6481(5) 0.3289(2) 0.0662(2) 0.0613(17) Uani 1 1 d . . . . .
H032 H -0.6790 0.3438 0.0244 0.074 Uiso 1 1 calc R . . . .
B035 B -0.6202(4) 0.2572(2) 0.0905(2) 0.0495(15) Uani 1 1 d . . . . .
H035 H -0.6328 0.2253 0.0644 0.059 Uiso 1 1 calc R . . . .
B045 B -0.5541(5) 0.3697(3) 0.0975(2) 0.0643(18) Uani 1 1 d . . . . .
H045 H -0.5230 0.4112 0.0762 0.077 Uiso 1 1 calc R . . . .
O01B O 0.1080(4) 0.4879(2) 0.2856(2) 0.134(2) Uani 1 1 d . . . . .
N004 N -0.3300(4) 0.55736(17) 0.22812(17) 0.0636(12) Uani 1 1 d . . . . .
C00N C -0.3541(4) 0.5669(2) 0.09436(18) 0.0517(13) Uani 1 1 d . . . . .
C00R C -0.2326(4) 0.5531(2) 0.10456(19) 0.0548(13) Uani 1 1 d . . . . .
C00X C -0.2842(4) 0.5119(2) 0.2135(2) 0.0548(13) Uani 1 1 d . . . . .
C01Z C -0.4125(5) 0.5492(2) 0.2665(2) 0.0731(17) Uani 1 1 d . . . . .
H01Z H -0.4467 0.5809 0.2763 0.088 Uiso 1 1 calc R . . . .
C02C C -0.0306(4) 0.5517(2) 0.2446(2) 0.0781(17) Uani 1 1 d . . . . .
H02B H -0.0406 0.5913 0.2470 0.094 Uiso 1 1 calc R . . . .
H02C H -0.0833 0.5297 0.2703 0.094 Uiso 1 1 calc R . . . .
C02E C -0.5788(5) 0.5960(3) 0.0693(2) 0.0750(17) Uani 1 1 d . . . . .
C02W C -0.3175(5) 0.4574(2) 0.2370(3) 0.0866(19) Uani 1 1 d . . . . .
H02W H -0.2835 0.4262 0.2262 0.104 Uiso 1 1 calc R . . . .
C02Z C -0.4264(5) 0.5305(2) 0.0760(2) 0.088(2) Uani 1 1 d . . . . .
H02Z H -0.4007 0.4949 0.0717 0.106 Uiso 1 1 calc R . . . .
C03H C -0.4018(6) 0.4505(3) 0.2764(2) 0.092(2) Uani 1 1 d . . . . .
H03H H -0.4264 0.4144 0.2924 0.111 Uiso 1 1 calc R . . . .
C04I C 0.2788(5) 0.5737(3) 0.2780(3) 0.110(2) Uani 1 1 d . . . . .
H04H H 0.3156 0.6094 0.2794 0.132 Uiso 1 1 calc R . . . .
H04I H 0.2787 0.5465 0.3123 0.132 Uiso 1 1 calc R . . . .
C010 C -0.3969(5) 0.6195(2) 0.09909(19) 0.0590(14) Uani 1 1 d . . . . .
H010 H -0.3500 0.6460 0.1103 0.071 Uiso 1 1 calc R . . . .
C014 C -0.1925(4) 0.5221(2) 0.17038(19) 0.0551(13) Uani 1 1 d . . . . .
C021 C -0.5083(5) 0.6334(2) 0.0875(2) 0.0688(16) Uani 1 1 d . . . . .
H021 H -0.5356 0.6686 0.0921 0.083 Uiso 1 1 calc R . . . .
C025 C 0.0856(5) 0.5342(3) 0.2601(2) 0.0770(17) Uani 1 1 d . . . . .
C029 C -0.4488(5) 0.4970(3) 0.2918(2) 0.0780(18) Uani 1 1 d . . . . .
H029 H -0.5047 0.4932 0.3191 0.094 Uiso 1 1 calc R . . . .
C036 C -0.5365(5) 0.5454(3) 0.0637(3) 0.095(2) Uani 1 1 d . . . . .
H036 H -0.5830 0.5196 0.0512 0.114 Uiso 1 1 calc R . . . .
C037 C 0.1771(5) 0.5750(3) 0.2416(3) 0.099(2) Uani 1 1 d . . . . .
H037 H 0.1552 0.6119 0.2206 0.119 Uiso 1 1 calc R . . . .
C046 C -0.7011(4) 0.6125(3) 0.0560(3) 0.111(2) Uani 1 1 d . . . . .
H04J H -0.7499 0.5933 0.0847 0.166 Uiso 1 1 calc GR . . . .
H04K H -0.7205 0.6020 0.0218 0.166 Uiso 1 1 calc GR . . . .
H04L H -0.7098 0.6527 0.0531 0.166 Uiso 1 1 calc GR . . . .
C055 C 0.2878(6) 0.5521(4) 0.2275(3) 0.148(3) Uani 1 1 d . . . . .
H05C H 0.2942 0.5115 0.2302 0.177 Uiso 1 1 calc R . . . .
H05D H 0.3310 0.5742 0.1974 0.177 Uiso 1 1 calc R . . . .
B03S B -0.1563(5) 0.5912(3) 0.1444(2) 0.0563(16) Uani 1 1 d . . . . .
H03S H -0.1917 0.6274 0.1603 0.068 Uiso 1 1 calc R . . . .
B03Y B -0.0582(5) 0.5434(3) 0.1839(3) 0.0614(17) Uani 1 1 d . . . . .
B04A B -0.1950(5) 0.4814(3) 0.1185(2) 0.0626(18) Uani 1 1 d . . . . .
H04N H -0.2553 0.4469 0.1178 0.075 Uiso 1 1 calc R . . . .
B04J B -0.1260(5) 0.5950(3) 0.0724(2) 0.0648(18) Uani 1 1 d . . . . .
H04O H -0.1403 0.6338 0.0419 0.078 Uiso 1 1 calc R . . . .
B04N B -0.0142(5) 0.5883(3) 0.1214(2) 0.0640(18) Uani 1 1 d . . . . .
H04P H 0.0452 0.6231 0.1222 0.077 Uiso 1 1 calc R . . . .
B04T B -0.0113(5) 0.5490(3) 0.0676(3) 0.081(2) Uani 1 1 d . . . . .
H04T H 0.0503 0.5582 0.0334 0.098 Uiso 1 1 calc R . . . .
B04W B -0.1489(5) 0.5263(3) 0.0576(3) 0.076(2) Uani 1 1 d . . . . .
H04W H -0.1776 0.5205 0.0171 0.091 Uiso 1 1 calc R . . . .
B04Z B -0.0562(5) 0.4782(3) 0.0966(3) 0.075(2) Uani 1 1 d . . . . .
H04Z H -0.0242 0.4408 0.0815 0.090 Uiso 1 1 calc R . . . .
B050 B -0.0850(5) 0.4760(3) 0.1671(3) 0.0685(19) Uani 1 1 d . . . . .
H050 H -0.0730 0.4373 0.1979 0.082 Uiso 1 1 calc R . . . .
B052 B 0.0296(6) 0.5166(3) 0.1353(3) 0.079(2) Uani 1 1 d . . . . .
H052 H 0.1176 0.5045 0.1446 0.094 Uiso 1 1 calc R . . . .
O003 O 2.0320(3) 0.14711(17) 0.96627(16) 0.0879(13) Uani 1 1 d . . . . .
N007 N 1.6076(4) 0.21943(17) 0.91884(17) 0.0642(12) Uani 1 1 d . . . . .
C00K C 1.6912(4) 0.21754(19) 0.78944(18) 0.0497(13) Uani 1 1 d . . . . .
C00L C 1.5680(4) 0.2311(2) 0.78130(18) 0.0498(13) Uani 1 1 d . . . . .
C00M C 1.7350(4) 0.18664(19) 0.85406(19) 0.0489(13) Uani 1 1 d . . . . .
C00O C 1.5224(4) 0.2813(2) 0.79215(18) 0.0540(13) Uani 1 1 d . . . . .
H00O H 1.5679 0.3068 0.8057 0.065 Uiso 1 1 calc R . . . .
C00Y C 1.6455(4) 0.1750(2) 0.89890(19) 0.0513(13) Uani 1 1 d . . . . .
C01A C 2.0168(5) 0.1946(3) 0.9411(2) 0.0641(15) Uani 1 1 d . . . . .
C01D C 1.3389(4) 0.2566(3) 0.7630(2) 0.0647(15) Uani 1 1 d . . . . .
C01W C 1.6075(4) 0.1209(2) 0.9172(2) 0.0685(16) Uani 1 1 d . . . . .
H01W H 1.6379 0.0907 0.9031 0.082 Uiso 1 1 calc R . . . .
C02H C 1.5251(5) 0.2094(2) 0.9576(2) 0.0780(18) Uani 1 1 d . . . . .
H02H H 1.4964 0.2399 0.9718 0.094 Uiso 1 1 calc R . . . .
C02L C 1.3865(5) 0.2079(3) 0.7511(2) 0.0819(18) Uani 1 1 d . . . . .
H02L H 1.3415 0.1830 0.7365 0.098 Uiso 1 1 calc R . . . .
C02O C 1.5224(5) 0.1121(2) 0.9573(2) 0.0795(18) Uani 1 1 d . . . . .
H02O H 1.4941 0.0759 0.9702 0.095 Uiso 1 1 calc R . . . .
C02P C 1.4976(5) 0.1950(2) 0.7600(2) 0.0746(17) Uani 1 1 d . . . . .
H02P H 1.5264 0.1615 0.7516 0.090 Uiso 1 1 calc R . . . .
C02S C 2.1099(5) 0.2341(2) 0.9234(2) 0.0809(18) Uani 1 1 d . . . . .
H02S H 2.0907 0.2706 0.9005 0.097 Uiso 1 1 calc R . . . .
C03M C 2.2062(5) 0.2336(3) 0.9617(3) 0.094(2) Uani 1 1 d . . . . .
H03A H 2.2436 0.2693 0.9624 0.113 Uiso 1 1 calc R . . . .
H03B H 2.2015 0.2080 0.9968 0.113 Uiso 1 1 calc R . . . .
C04L C 2.2213(5) 0.2087(3) 0.9122(3) 0.117(3) Uani 1 1 d . . . . .
H04Q H 2.2259 0.1678 0.9170 0.141 Uiso 1 1 calc R . . . .
H04R H 2.2680 0.2291 0.8826 0.141 Uiso 1 1 calc R . . . .
C013 C 1.4088(4) 0.2937(2) 0.78287(19) 0.0634(15) Uani 1 1 d . . . . .
H013 H 1.3795 0.3275 0.7902 0.076 Uiso 1 1 calc R . . . .
C019 C 1.8989(4) 0.2162(2) 0.9263(2) 0.0698(16) Uani 1 1 d . . . . .
H01C H 1.8941 0.2559 0.9288 0.084 Uiso 1 1 calc R . . . .
H01D H 1.8449 0.1956 0.9524 0.084 Uiso 1 1 calc R . . . .
C024 C 1.4817(5) 0.1569(3) 0.9772(2) 0.0755(17) Uani 1 1 d . . . . .
H024 H 1.4248 0.1521 1.0039 0.091 Uiso 1 1 calc R . . . .
C042 C 1.2158(4) 0.2704(3) 0.7526(2) 0.095(2) Uani 1 1 d . . . . .
H04S H 1.1963 0.3038 0.7666 0.142 Uiso 1 1 calc GR . . . .
H04U H 1.1701 0.2393 0.7706 0.142 Uiso 1 1 calc GR . . . .
H04V H 1.2028 0.2767 0.7138 0.142 Uiso 1 1 calc GR . . . .
B02M B 1.8672(4) 0.2086(2) 0.8657(2) 0.0496(15) Uani 1 1 d . . . . .
B03P B 1.7964(5) 0.2591(3) 0.7563(2) 0.0569(17) Uani 1 1 d . . . . .
H03P H 1.7811 0.2979 0.7260 0.068 Uiso 1 1 calc R . . . .
B03U B 1.9559(5) 0.1822(3) 0.8164(2) 0.0631(18) Uani 1 1 d . . . . .
H03U H 2.0446 0.1708 0.8247 0.076 Uiso 1 1 calc R . . . .
B03X B 1.9111(5) 0.2131(3) 0.7495(2) 0.0633(18) Uani 1 1 d . . . . .
H03X H 1.9712 0.2217 0.7147 0.076 Uiso 1 1 calc R . . . .
B04D B 1.8411(5) 0.1403(3) 0.8502(3) 0.0610(17) Uani 1 1 d . . . . .
H04X H 1.8547 0.1016 0.8808 0.073 Uiso 1 1 calc R . . . .
B04U B 1.8671(5) 0.1433(3) 0.7785(3) 0.0668(19) Uani 1 1 d . . . . .
H04Y H 1.8983 0.1063 0.7623 0.080 Uiso 1 1 calc R . . . .
B039 B 1.7694(4) 0.2556(2) 0.8281(2) 0.0492(15) Uani 1 1 d . . . . .
H039 H 1.7350 0.2917 0.8446 0.059 Uiso 1 1 calc R . . . .
B043 B 1.7711(5) 0.1913(2) 0.7419(2) 0.0597(17) Uani 1 1 d . . . . .
H043 H 1.7387 0.1858 0.7019 0.072 Uiso 1 1 calc R . . . .
B047 B 1.9098(5) 0.2529(3) 0.8030(2) 0.0578(17) Uani 1 1 d . . . . .
H047 H 1.9692 0.2880 0.8028 0.069 Uiso 1 1 calc R . . . .
B049 B 1.7293(5) 0.1458(2) 0.8034(2) 0.0572(17) Uani 1 1 d . . . . .
H049 H 1.6692 0.1110 0.8039 0.069 Uiso 1 1 calc R . . . .
O00C O 1.6089(4) -0.01211(17) 0.93163(17) 0.1031(15) Uani 1 1 d . . . . .
N00A N 1.2061(4) -0.07445(18) 0.89119(18) 0.0764(15) Uani 1 1 d . . . . .
C00H C 1.3231(4) -0.02095(18) 0.81966(17) 0.0453(12) Uani 1 1 d . . . . .
C00J C 1.2726(4) -0.03404(19) 0.75893(18) 0.0452(12) Uani 1 1 d . . . . .
C01G C 1.0687(4) -0.0060(2) 0.7437(2) 0.0610(14) Uani 1 1 d . . . . .
H01G H 1.0885 0.0317 0.7419 0.073 Uiso 1 1 calc R . . . .
C01J C 1.1157(4) -0.1025(2) 0.7578(2) 0.0758(17) Uani 1 1 d . . . . .
H01J H 1.1686 -0.1314 0.7656 0.091 Uiso 1 1 calc R . . . .
C01M C 1.6067(5) -0.0510(2) 0.9060(2) 0.0669(16) Uani 1 1 d . . . . .
C01S C 0.9584(5) -0.0198(2) 0.7356(2) 0.0685(15) Uani 1 1 d . . . . .
H01S H 0.9052 0.0090 0.7285 0.082 Uiso 1 1 calc R . . . .
C02B C 1.0063(5) -0.1163(2) 0.7500(2) 0.0774(18) Uani 1 1 d . . . . .
H02D H 0.9867 -0.1542 0.7531 0.093 Uiso 1 1 calc R . . . .
C03G C 1.2052(5) 0.0262(2) 0.8834(2) 0.086(2) Uani 1 1 d . . . . .
H03G H 1.2299 0.0614 0.8650 0.104 Uiso 1 1 calc R . . . .
C03I C 0.8044(4) -0.0907(2) 0.7271(2) 0.0834(18) Uani 1 1 d . . . . .
H03C H 0.7974 -0.1311 0.7320 0.125 Uiso 1 1 calc GR . . . .
H03E H 0.7852 -0.0740 0.6901 0.125 Uiso 1 1 calc GR . . . .
H03F H 0.7543 -0.0766 0.7523 0.125 Uiso 1 1 calc GR . . . .
C03T C 1.1358(5) -0.0772(3) 0.9345(3) 0.100(2) Uani 1 1 d . . . . .
H03T H 1.1115 -0.1128 0.9522 0.120 Uiso 1 1 calc R . . . .
C04V C 1.8046(5) -0.0848(3) 0.9296(3) 0.116(2) Uani 1 1 d . . . . .
H04 H 1.7947 -0.0713 0.9638 0.139 Uiso 1 1 calc R . . . .
H H 1.8505 -0.1186 0.9319 0.139 Uiso 1 1 calc R . . . .
C008 C 1.1500(4) -0.0476(2) 0.75451(18) 0.0473(12) Uani 1 1 d . . . . .
C011 C 1.2408(4) -0.0234(2) 0.86752(19) 0.0548(14) Uani 1 1 d . . . . .
C017 C 0.9243(4) -0.0754(2) 0.73765(19) 0.0557(14) Uani 1 1 d . . . . .
C020 C 1.4954(4) -0.0735(2) 0.8912(2) 0.0743(17) Uani 1 1 d . . . . .
H02E H 1.4379 -0.0655 0.9171 0.089 Uiso 1 1 calc R . . . .
H02F H 1.5007 -0.1143 0.8947 0.089 Uiso 1 1 calc R . . . .
C030 C 1.7082(5) -0.0782(3) 0.8912(2) 0.0859(19) Uani 1 1 d . . . . .
H030 H 1.6985 -0.1082 0.8697 0.103 Uiso 1 1 calc R . . . .
C040 C 1.0979(6) -0.0315(3) 0.9541(3) 0.115(3) Uani 1 1 d . . . . .
H040 H 1.0501 -0.0359 0.9848 0.138 Uiso 1 1 calc R . . . .
C051 C 1.1310(6) 0.0213(3) 0.9281(3) 0.121(3) Uani 1 1 d . . . . .
H051 H 1.1043 0.0534 0.9401 0.146 Uiso 1 1 calc R . . . .
C054 C 1.8127(6) -0.0424(3) 0.8788(3) 0.120(3) Uani 1 1 d . . . . .
H05E H 1.8632 -0.0502 0.8499 0.144 Uiso 1 1 calc R . . . .
H05F H 1.8073 -0.0028 0.8819 0.144 Uiso 1 1 calc R . . . .
B02I B 1.3551(4) -0.0838(2) 0.7991(2) 0.0477(15) Uani 1 1 d . . . . .
H02I H 1.3223 -0.1251 0.8200 0.057 Uiso 1 1 calc R . . . .
B02N B 1.3111(5) 0.0337(2) 0.7654(2) 0.0488(15) Uani 1 1 d . . . . .
H02N H 1.2500 0.0683 0.7648 0.059 Uiso 1 1 calc R . . . .
B02R B 1.4475(4) 0.0446(2) 0.7352(2) 0.0519(15) Uani 1 1 d . . . . .
H02R H 1.4766 0.0866 0.7143 0.062 Uiso 1 1 calc R . . . .
B02Y B 1.3468(5) 0.0054(2) 0.7058(2) 0.0513(15) Uani 1 1 d . . . . .
H02Y H 1.3098 0.0220 0.6656 0.062 Uiso 1 1 calc R . . . .
B03E B 1.4575(4) -0.0467(2) 0.8303(2) 0.0491(15) Uani 1 1 d . . . . .
B03K B 1.5381(5) -0.0056(2) 0.7752(2) 0.0524(16) Uani 1 1 d . . . . .
H03K H 1.6275 0.0038 0.7802 0.063 Uiso 1 1 calc R . . . .
B04F B 1.4866(5) -0.0183(2) 0.7119(2) 0.0539(16) Uani 1 1 d . . . . .
H0AA H 1.5421 -0.0170 0.6757 0.065 Uiso 1 1 calc R . . . .
B04G B 1.4924(5) -0.0748(2) 0.7701(2) 0.0552(16) Uani 1 1 d . . . . .
H1AA H 1.5515 -0.1105 0.7718 0.066 Uiso 1 1 calc R . . . .
B031 B 1.3750(5) -0.0673(2) 0.7272(2) 0.0531(16) Uani 1 1 d . . . . .
H031 H 1.3572 -0.0984 0.7011 0.064 Uiso 1 1 calc R . . . .
B038 B 1.4304(5) 0.0267(2) 0.8076(2) 0.0515(16) Uani 1 1 d . . . . .
H038 H 1.4488 0.0575 0.8341 0.062 Uiso 1 1 calc R . . . .
O006 O 0.6077(3) 0.15845(16) 0.61427(16) 0.0920(13) Uani 1 1 d . . . . .
N002 N 0.1804(3) 0.09849(17) 0.57097(16) 0.0588(11) Uani 1 1 d . . . . .
C00B C 0.1456(4) 0.11494(19) 0.43820(17) 0.0419(12) Uani 1 1 d . . . . .
C00D C 0.2663(4) 0.12897(18) 0.44312(17) 0.0428(12) Uani 1 1 d . . . . .
C00G C 0.3130(4) 0.14630(18) 0.50298(17) 0.0442(12) Uani 1 1 d . . . . .
C00V C 0.5929(4) 0.1170(2) 0.59363(19) 0.0566(14) Uani 1 1 d . . . . .
C00Z C -0.0795(4) 0.0857(2) 0.42181(19) 0.0558(14) Uani 1 1 d . . . . .
C01F C 0.1134(4) 0.0591(2) 0.4404(2) 0.0648(15) Uani 1 1 d . . . . .
H01F H 0.1671 0.0306 0.4473 0.078 Uiso 1 1 calc R . . . .
C01I C 0.1951(4) 0.1987(2) 0.5629(2) 0.0704(16) Uani 1 1 d . . . . .
H01I H 0.2272 0.2327 0.5455 0.084 Uiso 1 1 calc R . . . .
C01L C 0.4778(4) 0.0995(2) 0.58033(19) 0.0646(15) Uani 1 1 d . . . . .
H01E H 0.4230 0.1143 0.6035 0.077 Uiso 1 1 calc R . . . .
H01H H 0.4729 0.0585 0.5886 0.077 Uiso 1 1 calc R . . . .
C01N C 0.0022(5) 0.0452(2) 0.4324(2) 0.0692(16) Uani 1 1 d . . . . .
H01N H -0.0170 0.0074 0.4343 0.083 Uiso 1 1 calc R . . . .
C01P C 0.6884(5) 0.0824(2) 0.5809(2) 0.0712(16) Uani 1 1 d . . . . .
H01P H 0.6713 0.0516 0.5614 0.085 Uiso 1 1 calc R . . . .
C01Q C 0.1026(4) 0.0985(3) 0.6112(2) 0.0764(18) Uani 1 1 d . . . . .
H01Q H 0.0699 0.0643 0.6276 0.092 Uiso 1 1 calc R . . . .
C01U C -0.0472(4) 0.1405(2) 0.4202(2) 0.0685(16) Uani 1 1 d . . . . .
H01U H -0.1015 0.1689 0.4140 0.082 Uiso 1 1 calc R . . . .
C03A C -0.1996(4) 0.0695(2) 0.4130(2) 0.0846(18) Uani 1 1 d . . . . .
H03I H -0.2141 0.0758 0.3743 0.127 Uiso 1 1 calc GR . . . .
H03J H -0.2502 0.0923 0.4305 0.127 Uiso 1 1 calc GR . . . .
H03L H -0.2111 0.0303 0.4285 0.127 Uiso 1 1 calc GR . . . .
C03F C 0.1154(5) 0.1970(3) 0.6058(2) 0.088(2) Uani 1 1 d . . . . .
H03M H 0.0946 0.2301 0.6179 0.106 Uiso 1 1 calc R . . . .
C03W C 0.7811(5) 0.0718(3) 0.6223(3) 0.102(2) Uani 1 1 d . . . . .
H03N H 0.7739 0.0889 0.6547 0.122 Uiso 1 1 calc R . . . .
H03O H 0.8172 0.0349 0.6282 0.122 Uiso 1 1 calc R . . . .
C04Y C 0.8004(5) 0.1086(3) 0.5704(3) 0.117(3) Uani 1 1 d . . . . .
H2AA H 0.8494 0.0950 0.5440 0.140 Uiso 1 1 calc R . . . .
HA H 0.8062 0.1489 0.5704 0.140 Uiso 1 1 calc R . . . .
C012 C 0.2245(4) 0.1480(2) 0.54741(19) 0.0481(12) Uani 1 1 d . . . . .
C015 C 0.0633(4) 0.1552(2) 0.42739(19) 0.0587(14) Uani 1 1 d . . . . .
H015 H 0.0820 0.1932 0.4248 0.070 Uiso 1 1 calc R . . . .
C023 C 0.0696(5) 0.1471(3) 0.6292(2) 0.0839(19) Uani 1 1 d . . . . .
H023 H 0.0160 0.1454 0.6573 0.101 Uiso 1 1 calc R . . . .
B01R B 0.3469(4) 0.0815(2) 0.4872(2) 0.0420(14) Uani 1 1 d . . . . .
H01R H 0.3125 0.0411 0.5096 0.050 Uiso 1 1 calc R . . . .
B02F B 0.3725(4) 0.0931(2) 0.4157(2) 0.0489(15) Uani 1 1 d . . . . .
H02G H 0.3571 0.0601 0.3914 0.059 Uiso 1 1 calc R . . . .
B02U B 0.3048(4) 0.1983(2) 0.4453(2) 0.0455(14) Uani 1 1 d . . . . .
H02U H 0.2440 0.2334 0.4407 0.055 Uiso 1 1 calc R . . . .
B02X B 0.4470(4) 0.1209(2) 0.5182(2) 0.0478(15) Uani 1 1 d . . . . .
B03B B 0.3458(5) 0.1661(2) 0.3893(2) 0.0507(15) Uani 1 1 d . . . . .
H03Q H 0.3127 0.1807 0.3479 0.061 Uiso 1 1 calc R . . . .
B03O B 0.5322(5) 0.1590(2) 0.4628(2) 0.0526(16) Uani 1 1 d . . . . .
H03W H 0.6210 0.1690 0.4687 0.063 Uiso 1 1 calc R . . . .
B03Q B 0.4868(4) 0.0882(2) 0.4615(2) 0.0515(15) Uani 1 1 d . . . . .
H03Y H 0.5457 0.0522 0.4668 0.062 Uiso 1 1 calc R . . . .
B033 B 0.4195(5) 0.1941(2) 0.4904(2) 0.0547(16) Uani 1 1 d . . . . .
H033 H 0.4341 0.2271 0.5148 0.066 Uiso 1 1 calc R . . . .
B034 B 0.4434(5) 0.2059(2) 0.4191(2) 0.0550(16) Uani 1 1 d . . . . .
H034 H 0.4748 0.2469 0.3968 0.066 Uiso 1 1 calc R . . . .
B044 B 0.4856(5) 0.1418(2) 0.4004(2) 0.0542(16) Uani 1 1 d . . . . .
H044 H 0.5444 0.1406 0.3658 0.065 Uiso 1 1 calc R . . . .
O00F O 1.0618(4) 0.32494(18) 0.63719(18) 0.1092(16) Uani 1 1 d . . . . .
N005 N 0.6255(3) 0.39239(17) 0.57666(16) 0.0611(12) Uani 1 1 d . . . . .
C00E C 0.6037(4) 0.3969(2) 0.44248(19) 0.0512(13) Uani 1 1 d . . . . .
C00I C 0.7250(4) 0.38281(19) 0.45376(19) 0.0506(13) Uani 1 1 d . . . . .
C00T C 0.6682(4) 0.3454(2) 0.5626(2) 0.0508(13) Uani 1 1 d . . . . .
C00W C 0.7619(4) 0.3546(2) 0.52086(19) 0.0517(13) Uani 1 1 d . . . . .
C01E C 0.4446(4) 0.4601(2) 0.43862(19) 0.0597(14) Uani 1 1 d . . . . .
H01K H 0.4152 0.4945 0.4444 0.072 Uiso 1 1 calc R . . . .
C01H C 1.0380(5) 0.3710(3) 0.6117(2) 0.0670(16) Uani 1 1 d . . . . .
C01K C 0.3759(4) 0.4227(2) 0.4194(2) 0.0625(15) Uani 1 1 d . . . . .
C01X C 0.5400(5) 0.3851(3) 0.6137(2) 0.0718(16) Uani 1 1 d . . . . .
H01X H 0.5074 0.4172 0.6233 0.086 Uiso 1 1 calc R . . . .
C01Y C 0.9194(4) 0.3867(2) 0.5952(2) 0.0739(17) Uani 1 1 d . . . . .
H01L H 0.9068 0.4263 0.5967 0.089 Uiso 1 1 calc R . . . .
H01M H 0.8674 0.3643 0.6211 0.089 Uiso 1 1 calc R . . . .
C02D C 0.4980(5) 0.3335(3) 0.6381(2) 0.0799(18) Uani 1 1 d . . . . .
H02J H 0.4396 0.3307 0.6640 0.096 Uiso 1 1 calc R . . . .
C02G C 0.5356(5) 0.3607(2) 0.4212(2) 0.0814(18) Uani 1 1 d . . . . .
H02M H 0.5657 0.3269 0.4141 0.098 Uiso 1 1 calc R . . . .
C02J C 0.5440(5) 0.2859(3) 0.6236(2) 0.0806(18) Uani 1 1 d . . . . .
H02T H 0.5173 0.2502 0.6393 0.097 Uiso 1 1 calc R . . . .
C03C C 0.2516(4) 0.4359(2) 0.4079(2) 0.0908(19) Uani 1 1 d . . . . .
H03Z H 0.2056 0.4101 0.4332 0.136 Uiso 1 1 calc GR . . . .
HB H 0.2354 0.4318 0.3710 0.136 Uiso 1 1 calc GR . . . .
HC H 0.2357 0.4740 0.4123 0.136 Uiso 1 1 calc GR . . . .
C03J C 0.4241(5) 0.3728(3) 0.4099(3) 0.090(2) Uani 1 1 d . . . . .
H03 H 0.3805 0.3470 0.3957 0.108 Uiso 1 1 calc R . . . .
C03N C 1.1271(6) 0.4126(3) 0.5926(3) 0.103(2) Uani 1 1 d . . . . .
H3AA H 1.1031 0.4493 0.5720 0.123 Uiso 1 1 calc R . . . .
C04K C 1.2284(5) 0.4125(3) 0.6284(3) 0.106(2) Uani 1 1 d . . . . .
H4AA H 1.2632 0.4486 0.6299 0.127 Uiso 1 1 calc R . . . .
HD H 1.2301 0.3851 0.6624 0.127 Uiso 1 1 calc R . . . .
C016 C 0.5568(4) 0.4478(2) 0.44970(18) 0.0526(13) Uani 1 1 d . . . . .
H016 H 0.6014 0.4742 0.4623 0.063 Uiso 1 1 calc R . . . .
C028 C 0.6304(4) 0.2920(2) 0.5853(2) 0.0724(16) Uani 1 1 d . . . . .
H028 H 0.6630 0.2604 0.5747 0.087 Uiso 1 1 calc R . . . .
C056 C 1.2382(6) 0.3915(4) 0.5776(3) 0.153(4) Uani 1 1 d . . . . .
H05G H 1.2468 0.3510 0.5800 0.183 Uiso 1 1 calc R . . . .
H05H H 1.2798 0.4145 0.5475 0.183 Uiso 1 1 calc R . . . .
B02T B 0.8005(4) 0.4228(2) 0.4921(2) 0.0491(15) Uani 1 1 d . . . . .
H02X H 0.7652 0.4605 0.5055 0.059 Uiso 1 1 calc R . . . .
B03L B 0.8948(5) 0.3762(3) 0.5349(3) 0.0603(17) Uani 1 1 d . . . . .
B04B B 0.8695(5) 0.3068(3) 0.5215(3) 0.0650(18) Uani 1 1 d . . . . .
H5AA H 0.8802 0.2691 0.5537 0.078 Uiso 1 1 calc R . . . .
B04H B 0.7612(5) 0.3113(2) 0.4728(3) 0.0605(18) Uani 1 1 d . . . . .
H6AA H 0.7004 0.2766 0.4743 0.073 Uiso 1 1 calc R . . . .
B04P B 0.9499(5) 0.3752(3) 0.4201(3) 0.0665(19) Uani 1 1 d . . . . .
H7AA H 1.0142 0.3821 0.3870 0.080 Uiso 1 1 calc R . . . .
B04Q B 0.9852(5) 0.3464(3) 0.4893(3) 0.072(2) Uani 1 1 d . . . . .
H8AA H 1.0723 0.3343 0.5007 0.086 Uiso 1 1 calc R . . . .
B04R B 0.8098(5) 0.3534(3) 0.4095(3) 0.0651(19) Uani 1 1 d . . . . .
H9AA H 0.7816 0.3458 0.3694 0.078 Uiso 1 1 calc R . . . .
B04S B 0.9419(5) 0.4181(3) 0.4714(3) 0.0635(18) Uani 1 1 d . . . . .
H0BA H 1.0010 0.4533 0.4710 0.076 Uiso 1 1 calc R . . . .
B04X B 0.9022(5) 0.3071(3) 0.4504(3) 0.072(2) Uani 1 1 d . . . . .
H1BA H 0.9348 0.2693 0.4361 0.086 Uiso 1 1 calc R . . . .
B048 B 0.8342(5) 0.4222(2) 0.4224(2) 0.0590(17) Uani 1 1 d . . . . .
H048 H 0.8223 0.4599 0.3903 0.071 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O009 C01C 1.216(5) . ?
N001 C00S 1.321(5) . ?
N001 C01V 1.349(6) . ?
C00P C00Q 1.497(6) . ?
C00P C00U 1.708(6) . ?
C00P B02Q 1.740(7) . ?
C00P B03R 1.734(7) . ?
C00P B032 1.699(7) . ?
C00P B035 1.711(7) . ?
C00Q C01T 1.377(6) . ?
C00Q C02K 1.385(7) . ?
C00S C00U 1.510(6) . ?
C00S C022 1.392(6) . ?
C00U B02Q 1.714(7) . ?
C00U B03R 1.732(7) . ?
C00U B03Z 1.739(7) . ?
C00U B04C 1.695(7) . ?
C01C C01O 1.501(6) . ?
C01C C026 1.473(7) . ?
C01O H01A 0.9700 . ?
C01O H01B 0.9700 . ?
C01O B03Z 1.603(7) . ?
C01T H01T 0.9300 . ?
C01T C027 1.380(7) . ?
C01V H01V 0.9300 . ?
C01V C02A 1.366(6) . ?
C02A H02A 0.9300 . ?
C02A C02V 1.368(7) . ?
C02K H02K 0.9300 . ?
C02K C03D 1.375(7) . ?
C02V H02V 0.9300 . ?
C02V C022 1.380(7) . ?
C03D H03D 0.9300 . ?
C03D C018 1.352(7) . ?
C04O H04A 0.9700 . ?
C04O H04B 0.9700 . ?
C04O C026 1.497(8) . ?
C04O C053 1.472(9) . ?
C018 C027 1.374(7) . ?
C018 C041 1.526(6) . ?
C022 H022 0.9300 . ?
C026 H026 0.9800 . ?
C026 C053 1.502(8) . ?
C027 H027 0.9300 . ?
C041 H04C 0.9600 . ?
C041 H04D 0.9600 . ?
C041 H04E 0.9600 . ?
C053 H05A 0.9700 . ?
C053 H05B 0.9700 . ?
B02Q H02Q 1.1000 . ?
B02Q B03V 1.759(7) . ?
B02Q B03Z 1.781(7) . ?
B02Q B035 1.792(7) . ?
B03R H03R 1.1000 . ?
B03R B04C 1.794(8) . ?
B03R B032 1.767(8) . ?
B03R B045 1.768(8) . ?
B03V H03V 1.1000 . ?
B03V B03Z 1.779(7) . ?
B03V B04E 1.778(8) . ?
B03V B04M 1.792(8) . ?
B03V B035 1.771(7) . ?
B03Z B04C 1.781(8) . ?
B03Z B04M 1.779(8) . ?
B04C H04F 1.1000 . ?
B04C B04M 1.772(8) . ?
B04C B045 1.797(8) . ?
B04E H04G 1.1000 . ?
B04E B04M 1.776(8) . ?
B04E B032 1.776(8) . ?
B04E B035 1.752(7) . ?
B04E B045 1.783(8) . ?
B04M H04M 1.1000 . ?
B04M B045 1.793(8) . ?
B032 H032 1.1000 . ?
B032 B035 1.750(8) . ?
B032 B045 1.769(8) . ?
B035 H035 1.1000 . ?
B045 H045 1.1000 . ?
O01B C025 1.206(6) . ?
N004 C00X 1.325(6) . ?
N004 C01Z 1.341(6) . ?
C00N C00R 1.492(6) . ?
C00N C02Z 1.370(6) . ?
C00N C010 1.386(6) . ?
C00R C014 1.737(6) . ?
C00R B03S 1.732(7) . ?
C00R B04A 1.752(7) . ?
C00R B04J 1.710(7) . ?
C00R B04W 1.727(7) . ?
C00X C02W 1.387(6) . ?
C00X C014 1.500(6) . ?
C01Z H01Z 0.9300 . ?
C01Z C029 1.364(7) . ?
C02C H02B 0.9700 . ?
C02C H02C 0.9700 . ?
C02C C025 1.477(7) . ?
C02C B03Y 1.592(7) . ?
C02E C021 1.371(7) . ?
C02E C036 1.343(7) . ?
C02E C046 1.528(7) . ?
C02W H02W 0.9300 . ?
C02W C03H 1.375(7) . ?
C02Z H02Z 0.9300 . ?
C02Z C036 1.378(7) . ?
C03H H03H 0.9300 . ?
C03H C029 1.361(7) . ?
C04I H04H 0.9700 . ?
C04I H04I 0.9700 . ?
C04I C037 1.518(8) . ?
C04I C055 1.445(9) . ?
C010 H010 0.9300 . ?
C010 C021 1.384(6) . ?
C014 B03S 1.719(7) . ?
C014 B03Y 1.733(7) . ?
C014 B04A 1.754(7) . ?
C014 B050 1.697(7) . ?
C021 H021 0.9300 . ?
C025 C037 1.474(8) . ?
C029 H029 0.9300 . ?
C036 H036 0.9300 . ?
C037 H037 0.9800 . ?
C037 C055 1.482(9) . ?
C046 H04J 0.9600 . ?
C046 H04K 0.9600 . ?
C046 H04L 0.9600 . ?
C055 H05C 0.9700 . ?
C055 H05D 0.9700 . ?
B03S H03S 1.1000 . ?
B03S B03Y 1.804(8) . ?
B03S B04J 1.797(8) . ?
B03S B04N 1.776(8) . ?
B03Y B04N 1.788(8) . ?
B03Y B050 1.776(8) . ?
B03Y B052 1.786(8) . ?
B04A H04N 1.1000 . ?
B04A B04W 1.764(9) . ?
B04A B04Z 1.730(8) . ?
B04A B050 1.779(8) . ?
B04J H04O 1.1000 . ?
B04J B04N 1.801(8) . ?
B04J B04T 1.768(9) . ?
B04J B04W 1.779(8) . ?
B04N H04P 1.1000 . ?
B04N B04T 1.771(8) . ?
B04N B052 1.770(9) . ?
B04T H04T 1.1000 . ?
B04T B04W 1.759(9) . ?
B04T B04Z 1.799(9) . ?
B04T B052 1.789(9) . ?
B04W H04W 1.1000 . ?
B04W B04Z 1.760(9) . ?
B04Z H04Z 1.1000 . ?
B04Z B050 1.763(9) . ?
B04Z B052 1.782(9) . ?
B050 H050 1.1000 . ?
B050 B052 1.763(9) . ?
B052 H052 1.1000 . ?
O003 C01A 1.210(6) . ?
N007 C00Y 1.330(5) . ?
N007 C02H 1.350(6) . ?
C00K C00L 1.506(6) . ?
C00K C00M 1.724(6) . ?
C00K B03P 1.702(7) . ?
C00K B039 1.725(6) . ?
C00K B043 1.707(7) . ?
C00K B049 1.753(7) . ?
C00L C00O 1.389(6) . ?
C00L C02P 1.386(6) . ?
C00M C00Y 1.512(6) . ?
C00M B02M 1.703(7) . ?
C00M B04D 1.692(7) . ?
C00M B039 1.710(7) . ?
C00M B049 1.733(7) . ?
C00O H00O 0.9300 . ?
C00O C013 1.393(6) . ?
C00Y C01W 1.370(6) . ?
C01A C02S 1.467(7) . ?
C01A C019 1.518(7) . ?
C01D C02L 1.374(7) . ?
C01D C013 1.381(6) . ?
C01D C042 1.513(7) . ?
C01W H01W 0.9300 . ?
C01W C02O 1.394(7) . ?
C02H H02H 0.9300 . ?
C02H C024 1.363(6) . ?
C02L H02L 0.9300 . ?
C02L C02P 1.365(7) . ?
C02O H02O 0.9300 . ?
C02O C024 1.349(6) . ?
C02P H02P 0.9300 . ?
C02S H02S 0.9800 . ?
C02S C03M 1.497(7) . ?
C02S C04L 1.497(8) . ?
C03M H03A 0.9700 . ?
C03M H03B 0.9700 . ?
C03M C04L 1.468(8) . ?
C04L H04Q 0.9700 . ?
C04L H04R 0.9700 . ?
C013 H013 0.9300 . ?
C019 H01C 0.9700 . ?
C019 H01D 0.9700 . ?
C019 B02M 1.596(7) . ?
C024 H024 0.9300 . ?
C042 H04S 0.9600 . ?
C042 H04U 0.9600 . ?
C042 H04V 0.9600 . ?
B02M B03U 1.801(7) . ?
B02M B04D 1.783(7) . ?
B02M B039 1.770(8) . ?
B02M B047 1.781(8) . ?
B03P H03P 1.1000 . ?
B03P B03X 1.776(8) . ?
B03P B039 1.789(8) . ?
B03P B043 1.759(7) . ?
B03P B047 1.779(8) . ?
B03U H03U 1.1000 . ?
B03U B03X 1.776(9) . ?
B03U B04D 1.796(8) . ?
B03U B04U 1.797(8) . ?
B03U B047 1.757(8) . ?
B03X H03X 1.1000 . ?
B03X B04U 1.774(8) . ?
B03X B043 1.768(8) . ?
B03X B047 1.772(8) . ?
B04D H04X 1.1000 . ?
B04D B04U 1.786(8) . ?
B04D B049 1.766(8) . ?
B04U H04Y 1.1000 . ?
B04U B043 1.759(9) . ?
B04U B049 1.743(8) . ?
B039 H039 1.1000 . ?
B039 B047 1.773(7) . ?
B043 H043 1.1000 . ?
B043 B049 1.768(8) . ?
B047 H047 1.1000 . ?
B049 H049 1.1000 . ?
O00C C01M 1.224(6) . ?
N00A C03T 1.340(6) . ?
N00A C011 1.322(6) . ?
C00H C00J 1.712(6) . ?
C00H C011 1.515(6) . ?
C00H B02I 1.720(6) . ?
C00H B02N 1.704(7) . ?
C00H B03E 1.715(7) . ?
C00H B038 1.700(6) . ?
C00J C008 1.503(6) . ?
C00J B02I 1.722(7) . ?
C00J B02N 1.728(6) . ?
C00J B02Y 1.706(6) . ?
C00J B031 1.710(6) . ?
C01G H01G 0.9300 . ?
C01G C01S 1.379(6) . ?
C01G C008 1.379(6) . ?
C01J H01J 0.9300 . ?
C01J C02B 1.366(6) . ?
C01J C008 1.371(6) . ?
C01M C020 1.506(7) . ?
C01M C030 1.441(7) . ?
C01S H01S 0.9300 . ?
C01S C017 1.388(6) . ?
C02B H02D 0.9300 . ?
C02B C017 1.378(7) . ?
C03G H03G 0.9300 . ?
C03G C011 1.385(6) . ?
C03G C051 1.389(7) . ?
C03I H03C 0.9600 . ?
C03I H03E 0.9600 . ?
C03I H03F 0.9600 . ?
C03I C017 1.511(6) . ?
C03T H03T 0.9300 . ?
C03T C040 1.352(7) . ?
C04V H04 0.9700 . ?
C04V H 0.9700 . ?
C04V C030 1.490(7) . ?
C04V C054 1.467(8) . ?
C020 H02E 0.9700 . ?
C020 H02F 0.9700 . ?
C020 B03E 1.600(7) . ?
C030 H030 0.9800 . ?
C030 C054 1.506(8) . ?
C040 H040 0.9300 . ?
C040 C051 1.369(8) . ?
C051 H051 0.9300 . ?
C054 H05E 0.9700 . ?
C054 H05F 0.9700 . ?
B02I H02I 1.1000 . ?
B02I B03E 1.779(7) . ?
B02I B04G 1.766(7) . ?
B02I B031 1.763(8) . ?
B02N H02N 1.1000 . ?
B02N B02R 1.771(7) . ?
B02N B02Y 1.780(7) . ?
B02N B038 1.764(8) . ?
B02R H02R 1.1000 . ?
B02R B02Y 1.770(7) . ?
B02R B03K 1.784(8) . ?
B02R B04F 1.770(7) . ?
B02R B038 1.775(8) . ?
B02Y H02Y 1.1000 . ?
B02Y B04F 1.752(8) . ?
B02Y B031 1.763(8) . ?
B03E B03K 1.793(7) . ?
B03E B04G 1.789(8) . ?
B03E B038 1.779(8) . ?
B03K H03K 1.1000 . ?
B03K B04F 1.773(7) . ?
B03K B04G 1.779(7) . ?
B03K B038 1.751(7) . ?
B04F H0AA 1.1000 . ?
B04F B04G 1.792(8) . ?
B04F B031 1.764(7) . ?
B04G H1AA 1.1000 . ?
B04G B031 1.756(8) . ?
B031 H031 1.1000 . ?
B038 H038 1.1000 . ?
O006 C00V 1.215(5) . ?
N002 C01Q 1.347(6) . ?
N002 C012 1.329(5) . ?
C00B C00D 1.484(6) . ?
C00B C01F 1.387(6) . ?
C00B C015 1.367(6) . ?
C00D C00G 1.715(6) . ?
C00D B01R 1.726(7) . ?
C00D B02F 1.722(6) . ?
C00D B02U 1.740(6) . ?
C00D B03B 1.727(6) . ?
C00G C012 1.514(6) . ?
C00G B01R 1.719(6) . ?
C00G B02U 1.720(7) . ?
C00G B02X 1.724(7) . ?
C00G B033 1.696(6) . ?
C00V C01L 1.492(6) . ?
C00V C01P 1.466(7) . ?
C00Z C01N 1.364(6) . ?
C00Z C01U 1.366(6) . ?
C00Z C03A 1.510(6) . ?
C01F H01F 0.9300 . ?
C01F C01N 1.389(6) . ?
C01I H01I 0.9300 . ?
C01I C03F 1.405(6) . ?
C01I C012 1.386(6) . ?
C01L H01E 0.9700 . ?
C01L H01H 0.9700 . ?
C01L B02X 1.579(7) . ?
C01N H01N 0.9300 . ?
C01P H01P 0.9800 . ?
C01P C03W 1.507(7) . ?
C01P C04Y 1.470(7) . ?
C01Q H01Q 0.9300 . ?
C01Q C023 1.378(7) . ?
C01U H01U 0.9300 . ?
C01U C015 1.383(6) . ?
C03A H03I 0.9600 . ?
C03A H03J 0.9600 . ?
C03A H03L 0.9600 . ?
C03F H03M 0.9300 . ?
C03F C023 1.344(7) . ?
C03W H03N 0.9700 . ?
C03W H03O 0.9700 . ?
C03W C04Y 1.435(8) . ?
C04Y H2AA 0.9700 . ?
C04Y HA 0.9700 . ?
C015 H015 0.9300 . ?
C023 H023 0.9300 . ?
B01R H01R 1.1000 . ?
B01R B02F 1.762(7) . ?
B01R B02X 1.793(7) . ?
B01R B03Q 1.765(7) . ?
B02F H02G 1.1000 . ?
B02F B03B 1.784(8) . ?
B02F B03Q 1.774(8) . ?
B02F B044 1.772(7) . ?
B02U H02U 1.1000 . ?
B02U B03B 1.768(7) . ?
B02U B033 1.767(7) . ?
B02U B034 1.754(7) . ?
B02X B03O 1.800(7) . ?
B02X B03Q 1.789(7) . ?
B02X B033 1.796(8) . ?
B03B H03Q 1.1000 . ?
B03B B034 1.761(7) . ?
B03B B044 1.766(8) . ?
B03O H03W 1.1000 . ?
B03O B03Q 1.792(7) . ?
B03O B033 1.772(7) . ?
B03O B034 1.770(8) . ?
B03O B044 1.772(8) . ?
B03Q H03Y 1.1000 . ?
B03Q B044 1.798(8) . ?
B033 H033 1.1000 . ?
B033 B034 1.754(8) . ?
B034 H034 1.1000 . ?
B034 B044 1.758(8) . ?
B044 H044 1.1000 . ?
O00F C01H 1.203(6) . ?
N005 C00T 1.337(5) . ?
N005 C01X 1.346(6) . ?
C00E C00I 1.497(6) . ?
C00E C02G 1.370(6) . ?
C00E C016 1.381(6) . ?
C00I C00W 1.739(6) . ?
C00I B02T 1.733(6) . ?
C00I B04H 1.750(7) . ?
C00I B04R 1.719(7) . ?
C00I B048 1.697(7) . ?
C00T C00W 1.494(6) . ?
C00T C028 1.374(6) . ?
C00W B02T 1.722(7) . ?
C00W B03L 1.723(7) . ?
C00W B04B 1.713(7) . ?
C00W B04H 1.720(7) . ?
C01E H01K 0.9300 . ?
C01E C01K 1.370(6) . ?
C01E C016 1.384(6) . ?
C01H C01Y 1.499(7) . ?
C01H C03N 1.468(7) . ?
C01K C03C 1.527(6) . ?
C01K C03J 1.385(7) . ?
C01X H01X 0.9300 . ?
C01X C02D 1.367(7) . ?
C01Y H01L 0.9700 . ?
C01Y H01M 0.9700 . ?
C01Y B03L 1.593(7) . ?
C02D H02J 0.9300 . ?
C02D C02J 1.369(7) . ?
C02G H02M 0.9300 . ?
C02G C03J 1.376(7) . ?
C02J H02T 0.9300 . ?
C02J C028 1.374(6) . ?
C03C H03Z 0.9600 . ?
C03C HB 0.9600 . ?
C03C HC 0.9600 . ?
C03J H03 0.9300 . ?
C03N H3AA 0.9800 . ?
C03N C04K 1.507(8) . ?
C03N C056 1.476(9) . ?
C04K H4AA 0.9700 . ?
C04K HD 0.9700 . ?
C04K C056 1.441(9) . ?
C016 H016 0.9300 . ?
C028 H028 0.9300 . ?
C056 H05G 0.9700 . ?
C056 H05H 0.9700 . ?
B02T H02X 1.1000 . ?
B02T B03L 1.796(8) . ?
B02T B04S 1.755(8) . ?
B02T B048 1.767(8) . ?
B03L B04B 1.787(8) . ?
B03L B04Q 1.786(8) . ?
B03L B04S 1.786(9) . ?
B04B H5AA 1.1000 . ?
B04B B04H 1.768(8) . ?
B04B B04Q 1.766(8) . ?
B04B B04X 1.798(9) . ?
B04H H6AA 1.1000 . ?
B04H B04R 1.790(9) . ?
B04H B04X 1.762(8) . ?
B04P H7AA 1.1000 . ?
B04P B04Q 1.784(9) . ?
B04P B04R 1.784(8) . ?
B04P B04S 1.778(8) . ?
B04P B04X 1.760(9) . ?
B04P B048 1.781(8) . ?
B04Q H8AA 1.1000 . ?
B04Q B04S 1.774(9) . ?
B04Q B04X 1.781(8) . ?
B04R H9AA 1.1000 . ?
B04R B04X 1.754(9) . ?
B04R B048 1.767(8) . ?
B04S H0BA 1.1000 . ?
B04S B048 1.768(8) . ?
B04X H1BA 1.1000 . ?
B048 H048 1.1000 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C00S N001 C01V 117.0(4) . . ?
C00Q C00P C00U 119.4(3) . . ?
C00Q C00P B02Q 118.8(4) . . ?
C00Q C00P B03R 117.5(4) . . ?
C00Q C00P B032 121.5(4) . . ?
C00Q C00P B035 122.4(4) . . ?
C00U C00P B02Q 59.6(3) . . ?
C00U C00P B03R 60.4(3) . . ?
C00U C00P B035 109.2(4) . . ?
B03R C00P B02Q 111.4(4) . . ?
B032 C00P C00U 109.3(3) . . ?
B032 C00P B02Q 112.6(4) . . ?
B032 C00P B03R 61.9(3) . . ?
B032 C00P B035 61.7(3) . . ?
B035 C00P B02Q 62.6(3) . . ?
B035 C00P B03R 112.3(4) . . ?
C01T C00Q C00P 122.1(5) . . ?
C01T C00Q C02K 115.7(5) . . ?
C02K C00Q C00P 122.1(5) . . ?
N001 C00S C00U 116.5(4) . . ?
N001 C00S C022 122.7(5) . . ?
C022 C00S C00U 120.8(5) . . ?
C00P C00U B02Q 61.1(3) . . ?
C00P C00U B03R 60.5(3) . . ?
C00P C00U B03Z 111.1(3) . . ?
C00S C00U C00P 118.1(4) . . ?
C00S C00U B02Q 117.4(4) . . ?
C00S C00U B03R 117.5(4) . . ?
C00S C00U B03Z 120.8(4) . . ?
C00S C00U B04C 121.3(4) . . ?
B02Q C00U B03R 112.8(4) . . ?
B02Q C00U B03Z 62.1(3) . . ?
B03R C00U B03Z 114.3(4) . . ?
B04C C00U C00P 111.0(3) . . ?
B04C C00U B02Q 113.3(4) . . ?
B04C C00U B03R 63.1(3) . . ?
B04C C00U B03Z 62.5(3) . . ?
O009 C01C C01O 120.8(5) . . ?
O009 C01C C026 121.2(5) . . ?
C026 C01C C01O 117.9(5) . . ?
C01C C01O H01A 109.3 . . ?
C01C C01O H01B 109.3 . . ?
C01C C01O B03Z 111.7(4) . . ?
H01A C01O H01B 107.9 . . ?
B03Z C01O H01A 109.3 . . ?
B03Z C01O H01B 109.3 . . ?
C00Q C01T H01T 119.1 . . ?
C00Q C01T C027 121.8(5) . . ?
C027 C01T H01T 119.1 . . ?
N001 C01V H01V 117.9 . . ?
N001 C01V C02A 124.1(5) . . ?
C02A C01V H01V 117.9 . . ?
C01V C02A H02A 120.9 . . ?
C01V C02A C02V 118.1(5) . . ?
C02V C02A H02A 120.9 . . ?
C00Q C02K H02K 119.1 . . ?
C03D C02K C00Q 121.9(5) . . ?
C03D C02K H02K 119.1 . . ?
C02A C02V H02V 120.4 . . ?
C02A C02V C022 119.3(5) . . ?
C022 C02V H02V 120.4 . . ?
C02K C03D H03D 119.0 . . ?
C018 C03D C02K 122.0(6) . . ?
C018 C03D H03D 119.0 . . ?
H04A C04O H04B 114.8 . . ?
C026 C04O H04A 117.7 . . ?
C026 C04O H04B 117.7 . . ?
C053 C04O H04A 117.7 . . ?
C053 C04O H04B 117.7 . . ?
C053 C04O C026 60.8(4) . . ?
C03D C018 C027 117.1(5) . . ?
C03D C018 C041 122.1(6) . . ?
C027 C018 C041 120.8(6) . . ?
C00S C022 H022 120.7 . . ?
C02V C022 C00S 118.7(5) . . ?
C02V C022 H022 120.7 . . ?
C01C C026 C04O 115.9(5) . . ?
C01C C026 H026 117.2 . . ?
C01C C026 C053 117.5(5) . . ?
C04O C026 H026 117.2 . . ?
C04O C026 C053 58.8(4) . . ?
C053 C026 H026 117.2 . . ?
C01T C027 H027 119.3 . . ?
C018 C027 C01T 121.4(5) . . ?
C018 C027 H027 119.3 . . ?
C018 C041 H04C 109.5 . . ?
C018 C041 H04D 109.5 . . ?
C018 C041 H04E 109.5 . . ?
H04C C041 H04D 109.5 . . ?
H04C C041 H04E 109.5 . . ?
H04D C041 H04E 109.5 . . ?
C04O C053 C026 60.4(4) . . ?
C04O C053 H05A 117.7 . . ?
C04O C053 H05B 117.7 . . ?
C026 C053 H05A 117.7 . . ?
C026 C053 H05B 117.7 . . ?
H05A C053 H05B 114.9 . . ?
C00P B02Q H02Q 123.1 . . ?
C00P B02Q B03V 105.7(4) . . ?
C00P B02Q B03Z 107.6(4) . . ?
C00P B02Q B035 57.9(3) . . ?
C00U B02Q C00P 59.3(3) . . ?
C00U B02Q H02Q 123.3 . . ?
C00U B02Q B03V 106.0(4) . . ?
C00U B02Q B03Z 59.6(3) . . ?
C00U B02Q B035 105.3(4) . . ?
B03V B02Q H02Q 122.7 . . ?
B03V B02Q B03Z 60.3(3) . . ?
B03V B02Q B035 59.8(3) . . ?
B03Z B02Q H02Q 120.9 . . ?
B03Z B02Q B035 108.3(4) . . ?
B035 B02Q H02Q 122.8 . . ?
C00P B03R H03R 123.7 . . ?
C00P B03R B04C 105.3(4) . . ?
C00P B03R B032 58.1(3) . . ?
C00P B03R B045 105.4(4) . . ?
C00U B03R C00P 59.0(3) . . ?
C00U B03R H03R 124.2 . . ?
C00U B03R B04C 57.4(3) . . ?
C00U B03R B032 105.1(4) . . ?
C00U B03R B045 105.0(4) . . ?
B04C B03R H03R 122.3 . . ?
B032 B03R H03R 122.4 . . ?
B032 B03R B04C 107.8(4) . . ?
B032 B03R B045 60.1(3) . . ?
B045 B03R H03R 122.6 . . ?
B045 B03R B04C 60.6(3) . . ?
B02Q B03V H03V 121.4 . . ?
B02Q B03V B03Z 60.4(3) . . ?
B02Q B03V B04E 107.9(4) . . ?
B02Q B03V B04M 107.4(4) . . ?
B02Q B03V B035 61.0(3) . . ?
B03Z B03V H03V 121.0 . . ?
B03Z B03V B04M 59.7(3) . . ?
B04E B03V H03V 122.1 . . ?
B04E B03V B03Z 108.2(4) . . ?
B04E B03V B04M 59.7(3) . . ?
B04M B03V H03V 122.6 . . ?
B035 B03V H03V 121.5 . . ?
B035 B03V B03Z 109.3(4) . . ?
B035 B03V B04E 59.2(3) . . ?
B035 B03V B04M 107.1(4) . . ?
C00U B03Z B02Q 58.3(3) . . ?
C00U B03Z B03V 104.0(4) . . ?
C00U B03Z B04C 57.6(3) . . ?
C00U B03Z B04M 103.8(4) . . ?
C01O B03Z C00U 118.1(4) . . ?
C01O B03Z B02Q 118.2(4) . . ?
C01O B03Z B03V 126.9(5) . . ?
C01O B03Z B04C 121.5(4) . . ?
C01O B03Z B04M 129.5(4) . . ?
B02Q B03Z B04C 106.2(4) . . ?
B03V B03Z B02Q 59.2(3) . . ?
B03V B03Z B04C 107.5(4) . . ?
B04M B03Z B02Q 107.1(4) . . ?
B04M B03Z B03V 60.5(3) . . ?
B04M B03Z B04C 59.7(3) . . ?
C00U B04C B03R 59.4(3) . . ?
C00U B04C B03Z 60.0(3) . . ?
C00U B04C H04F 123.7 . . ?
C00U B04C B04M 105.9(4) . . ?
C00U B04C B045 105.3(4) . . ?
B03R B04C H04F 121.5 . . ?
B03R B04C B045 59.0(3) . . ?
B03Z B04C B03R 109.3(4) . . ?
B03Z B04C H04F 120.5 . . ?
B03Z B04C B045 108.7(4) . . ?
B04M B04C B03R 107.7(4) . . ?
B04M B04C B03Z 60.1(3) . . ?
B04M B04C H04F 122.2 . . ?
B04M B04C B045 60.3(3) . . ?
B045 B04C H04F 122.5 . . ?
B03V B04E H04G 121.3 . . ?
B03V B04E B045 108.7(4) . . ?
B04M B04E B03V 60.6(3) . . ?
B04M B04E H04G 121.1 . . ?
B04M B04E B045 60.5(3) . . ?
B032 B04E B03V 107.8(4) . . ?
B032 B04E H04G 122.3 . . ?
B032 B04E B04M 108.0(4) . . ?
B032 B04E B045 59.6(3) . . ?
B035 B04E B03V 60.2(3) . . ?
B035 B04E H04G 121.8 . . ?
B035 B04E B04M 108.6(4) . . ?
B035 B04E B032 59.5(3) . . ?
B035 B04E B045 107.7(4) . . ?
B045 B04E H04G 121.6 . . ?
B03V B04M H04M 122.4 . . ?
B03V B04M B045 107.6(4) . . ?
B03Z B04M B03V 59.8(3) . . ?
B03Z B04M H04M 121.2 . . ?
B03Z B04M B045 109.0(4) . . ?
B04C B04M B03V 107.4(4) . . ?
B04C B04M B03Z 60.2(3) . . ?
B04C B04M B04E 108.1(4) . . ?
B04C B04M H04M 121.7 . . ?
B04C B04M B045 60.5(3) . . ?
B04E B04M B03V 59.8(3) . . ?
B04E B04M B03Z 108.3(4) . . ?
B04E B04M H04M 121.7 . . ?
B04E B04M B045 59.9(3) . . ?
B045 B04M H04M 121.3 . . ?
C00P B032 B03R 60.0(3) . . ?
C00P B032 B04E 106.0(4) . . ?
C00P B032 H032 123.1 . . ?
C00P B032 B035 59.5(3) . . ?
C00P B032 B045 106.8(4) . . ?
B03R B032 B04E 108.3(4) . . ?
B03R B032 H032 121.0 . . ?
B03R B032 B045 60.0(3) . . ?
B04E B032 H032 122.3 . . ?
B035 B032 B03R 108.9(4) . . ?
B035 B032 B04E 59.6(3) . . ?
B035 B032 H032 121.3 . . ?
B035 B032 B045 108.5(4) . . ?
B045 B032 B04E 60.4(3) . . ?
B045 B032 H032 121.7 . . ?
C00P B035 B02Q 59.5(3) . . ?
C00P B035 B03V 106.4(4) . . ?
C00P B035 B04E 106.6(4) . . ?
C00P B035 B032 58.8(3) . . ?
C00P B035 H035 123.4 . . ?
B02Q B035 H035 122.2 . . ?
B03V B035 B02Q 59.2(3) . . ?
B03V B035 H035 121.7 . . ?
B04E B035 B02Q 107.6(4) . . ?
B04E B035 B03V 60.6(3) . . ?
B04E B035 H035 121.6 . . ?
B032 B035 B02Q 107.8(4) . . ?
B032 B035 B03V 109.2(4) . . ?
B032 B035 B04E 61.0(3) . . ?
B032 B035 H035 121.1 . . ?
B03R B045 B04C 60.4(3) . . ?
B03R B045 B04E 107.9(4) . . ?
B03R B045 B04M 107.9(4) . . ?
B03R B045 B032 59.9(3) . . ?
B03R B045 H045 121.4 . . ?
B04C B045 H045 122.3 . . ?
B04E B045 B04C 106.8(4) . . ?
B04E B045 B04M 59.6(3) . . ?
B04E B045 H045 122.2 . . ?
B04M B045 B04C 59.2(3) . . ?
B04M B045 H045 122.1 . . ?
B032 B045 B04C 107.6(4) . . ?
B032 B045 B04E 60.0(3) . . ?
B032 B045 B04M 107.6(4) . . ?
B032 B045 H045 121.8 . . ?
C00X N004 C01Z 117.6(5) . . ?
C02Z C00N C00R 122.4(5) . . ?
C02Z C00N C010 116.5(5) . . ?
C010 C00N C00R 120.9(5) . . ?
C00N C00R C014 118.8(4) . . ?
C00N C00R B03S 119.4(4) . . ?
C00N C00R B04A 117.3(4) . . ?
C00N C00R B04J 122.5(4) . . ?
C00N C00R B04W 121.8(4) . . ?
C014 C00R B04A 60.3(3) . . ?
B03S C00R C014 59.4(3) . . ?
B03S C00R B04A 110.8(4) . . ?
B04J C00R C014 109.8(4) . . ?
B04J C00R B03S 62.9(3) . . ?
B04J C00R B04A 112.2(4) . . ?
B04J C00R B04W 62.3(3) . . ?
B04W C00R C014 108.7(4) . . ?
B04W C00R B03S 112.6(4) . . ?
B04W C00R B04A 60.9(3) . . ?
N004 C00X C02W 122.3(5) . . ?
N004 C00X C014 116.6(5) . . ?
C02W C00X C014 121.1(5) . . ?
N004 C01Z H01Z 118.3 . . ?
N004 C01Z C029 123.4(5) . . ?
C029 C01Z H01Z 118.3 . . ?
H02B C02C H02C 107.9 . . ?
C025 C02C H02B 109.2 . . ?
C025 C02C H02C 109.2 . . ?
C025 C02C B03Y 112.0(5) . . ?
B03Y C02C H02B 109.2 . . ?
B03Y C02C H02C 109.2 . . ?
C021 C02E C046 120.0(6) . . ?
C036 C02E C021 117.8(6) . . ?
C036 C02E C046 122.2(6) . . ?
C00X C02W H02W 120.7 . . ?
C03H C02W C00X 118.7(6) . . ?
C03H C02W H02W 120.7 . . ?
C00N C02Z H02Z 119.3 . . ?
C00N C02Z C036 121.4(5) . . ?
C036 C02Z H02Z 119.3 . . ?
C02W C03H H03H 120.4 . . ?
C029 C03H C02W 119.2(6) . . ?
C029 C03H H03H 120.4 . . ?
H04H C04I H04I 114.9 . . ?
C037 C04I H04H 117.8 . . ?
C037 C04I H04I 117.8 . . ?
C055 C04I H04H 117.8 . . ?
C055 C04I H04I 117.8 . . ?
C055 C04I C037 60.0(4) . . ?
C00N C010 H010 119.4 . . ?
C021 C010 C00N 121.2(5) . . ?
C021 C010 H010 119.4 . . ?
C00R C014 B04A 60.2(3) . . ?
C00X C014 C00R 116.6(4) . . ?
C00X C014 B03S 117.5(4) . . ?
C00X C014 B03Y 122.4(4) . . ?
C00X C014 B04A 117.4(4) . . ?
C00X C014 B050 123.1(5) . . ?
B03S C014 C00R 60.1(3) . . ?
B03S C014 B03Y 63.0(3) . . ?
B03S C014 B04A 111.3(4) . . ?
B03Y C014 C00R 111.0(4) . . ?
B03Y C014 B04A 113.3(4) . . ?
B050 C014 C00R 110.0(4) . . ?
B050 C014 B03S 113.0(4) . . ?
B050 C014 B03Y 62.4(3) . . ?
B050 C014 B04A 62.0(3) . . ?
C02E C021 C010 120.9(5) . . ?
C02E C021 H021 119.6 . . ?
C010 C021 H021 119.6 . . ?
O01B C025 C02C 122.7(6) . . ?
O01B C025 C037 119.6(6) . . ?
C037 C025 C02C 117.7(6) . . ?
C01Z C029 H029 120.6 . . ?
C03H C029 C01Z 118.7(5) . . ?
C03H C029 H029 120.6 . . ?
C02E C036 C02Z 122.1(6) . . ?
C02E C036 H036 118.9 . . ?
C02Z C036 H036 118.9 . . ?
C04I C037 H037 116.8 . . ?
C025 C037 C04I 117.8(6) . . ?
C025 C037 H037 116.8 . . ?
C025 C037 C055 117.8(6) . . ?
C055 C037 C04I 57.6(4) . . ?
C055 C037 H037 116.8 . . ?
C02E C046 H04J 109.5 . . ?
C02E C046 H04K 109.5 . . ?
C02E C046 H04L 109.5 . . ?
H04J C046 H04K 109.5 . . ?
H04J C046 H04L 109.5 . . ?
H04K C046 H04L 109.5 . . ?
C04I C055 C037 62.4(5) . . ?
C04I C055 H05C 117.5 . . ?
C04I C055 H05D 117.5 . . ?
C037 C055 H05C 117.5 . . ?
C037 C055 H05D 117.5 . . ?
H05C C055 H05D 114.6 . . ?
C00R B03S H03S 122.8 . . ?
C00R B03S B03Y 108.0(4) . . ?
C00R B03S B04J 57.9(3) . . ?
C00R B03S B04N 105.5(4) . . ?
C014 B03S C00R 60.5(3) . . ?
C014 B03S H03S 123.1 . . ?
C014 B03S B03Y 58.9(3) . . ?
C014 B03S B04J 106.6(4) . . ?
C014 B03S B04N 105.1(4) . . ?
B03Y B03S H03S 121.0 . . ?
B04J B03S H03S 121.7 . . ?
B04J B03S B03Y 109.4(4) . . ?
B04N B03S H03S 123.2 . . ?
B04N B03S B03Y 59.9(3) . . ?
B04N B03S B04J 60.5(3) . . ?
C02C B03Y C014 118.8(4) . . ?
C02C B03Y B03S 118.7(4) . . ?
C02C B03Y B04N 126.5(5) . . ?
C02C B03Y B050 122.9(5) . . ?
C02C B03Y B052 129.4(5) . . ?
C014 B03Y B03S 58.1(3) . . ?
C014 B03Y B04N 104.0(4) . . ?
C014 B03Y B050 57.8(3) . . ?
C014 B03Y B052 103.9(4) . . ?
B04N B03Y B03S 59.3(3) . . ?
B050 B03Y B03S 105.4(4) . . ?
B050 B03Y B04N 106.1(4) . . ?
B050 B03Y B052 59.3(3) . . ?
B052 B03Y B03S 106.1(4) . . ?
B052 B03Y B04N 59.4(3) . . ?
C00R B04A C014 59.4(3) . . ?
C00R B04A H04N 123.2 . . ?
C00R B04A B04W 58.8(3) . . ?
C00R B04A B050 105.6(4) . . ?
C014 B04A H04N 123.8 . . ?
C014 B04A B04W 106.3(4) . . ?
C014 B04A B050 57.4(3) . . ?
B04W B04A H04N 121.6 . . ?
B04W B04A B050 108.3(5) . . ?
B04Z B04A C00R 106.2(4) . . ?
B04Z B04A C014 105.2(4) . . ?
B04Z B04A H04N 122.4 . . ?
B04Z B04A B04W 60.5(4) . . ?
B04Z B04A B050 60.3(4) . . ?
B050 B04A H04N 122.5 . . ?
C00R B04J B03S 59.1(3) . . ?
C00R B04J H04O 123.5 . . ?
C00R B04J B04N 105.3(4) . . ?
C00R B04J B04T 105.7(5) . . ?
C00R B04J B04W 59.3(3) . . ?
B03S B04J H04O 122.3 . . ?
B03S B04J B04N 59.1(3) . . ?
B04N B04J H04O 123.0 . . ?
B04T B04J B03S 106.8(5) . . ?
B04T B04J H04O 122.6 . . ?
B04T B04J B04N 59.5(3) . . ?
B04T B04J B04W 59.5(4) . . ?
B04W B04J B03S 107.2(4) . . ?
B04W B04J H04O 122.1 . . ?
B04W B04J B04N 106.6(5) . . ?
B03S B04N B03Y 60.8(3) . . ?
B03S B04N B04J 60.3(3) . . ?
B03S B04N H04P 121.8 . . ?
B03Y B04N B04J 109.9(4) . . ?
B03Y B04N H04P 120.3 . . ?
B04J B04N H04P 121.3 . . ?
B04T B04N B03S 107.6(4) . . ?
B04T B04N B03Y 109.5(4) . . ?
B04T B04N B04J 59.3(3) . . ?
B04T B04N H04P 121.6 . . ?
B052 B04N B03S 108.0(5) . . ?
B052 B04N B03Y 60.2(3) . . ?
B052 B04N B04J 108.3(4) . . ?
B052 B04N H04P 121.6 . . ?
B052 B04N B04T 60.7(4) . . ?
B04J B04T B04N 61.2(3) . . ?
B04J B04T H04T 120.8 . . ?
B04J B04T B04Z 107.8(4) . . ?
B04J B04T B052 109.0(4) . . ?
B04N B04T H04T 121.5 . . ?
B04N B04T B04Z 107.1(5) . . ?
B04N B04T B052 59.7(4) . . ?
B04W B04T B04J 60.6(3) . . ?
B04W B04T B04N 108.9(4) . . ?
B04W B04T H04T 121.5 . . ?
B04W B04T B04Z 59.3(4) . . ?
B04W B04T B052 107.8(5) . . ?
B04Z B04T H04T 122.7 . . ?
B052 B04T H04T 121.8 . . ?
B052 B04T B04Z 59.6(4) . . ?
C00R B04W B04A 60.2(3) . . ?
C00R B04W B04J 58.4(3) . . ?
C00R B04W B04T 105.4(4) . . ?
C00R B04W H04W 123.9 . . ?
C00R B04W B04Z 105.9(4) . . ?
B04A B04W B04J 108.4(4) . . ?
B04A B04W H04W 121.5 . . ?
B04J B04W H04W 121.4 . . ?
B04T B04W B04A 108.2(5) . . ?
B04T B04W B04J 60.0(4) . . ?
B04T B04W H04W 121.8 . . ?
B04T B04W B04Z 61.5(4) . . ?
B04Z B04W B04A 58.8(4) . . ?
B04Z B04W B04J 109.1(5) . . ?
B04Z B04W H04W 121.7 . . ?
B04A B04Z B04T 108.0(5) . . ?
B04A B04Z B04W 60.7(4) . . ?
B04A B04Z H04Z 120.7 . . ?
B04A B04Z B050 61.2(3) . . ?
B04A B04Z B052 109.0(4) . . ?
B04T B04Z H04Z 122.5 . . ?
B04W B04Z B04T 59.2(4) . . ?
B04W B04Z H04Z 121.4 . . ?
B04W B04Z B050 109.2(4) . . ?
B04W B04Z B052 108.1(5) . . ?
B050 B04Z B04T 107.5(4) . . ?
B050 B04Z H04Z 121.3 . . ?
B050 B04Z B052 59.7(4) . . ?
B052 B04Z B04T 59.9(4) . . ?
B052 B04Z H04Z 121.6 . . ?
C014 B050 B03Y 59.8(3) . . ?
C014 B050 B04A 60.6(3) . . ?
C014 B050 B04Z 106.2(5) . . ?
C014 B050 H050 123.0 . . ?
C014 B050 B052 106.4(4) . . ?
B03Y B050 B04A 110.1(4) . . ?
B03Y B050 H050 120.0 . . ?
B04A B050 H050 121.4 . . ?
B04Z B050 B03Y 109.8(5) . . ?
B04Z B050 B04A 58.5(3) . . ?
B04Z B050 H050 122.1 . . ?
B04Z B050 B052 60.7(4) . . ?
B052 B050 B03Y 60.6(3) . . ?
B052 B050 B04A 107.7(5) . . ?
B052 B050 H050 122.1 . . ?
B03Y B052 B04T 108.8(4) . . ?
B03Y B052 H052 121.1 . . ?
B04N B052 B03Y 60.4(3) . . ?
B04N B052 B04T 59.7(4) . . ?
B04N B052 B04Z 107.8(5) . . ?
B04N B052 H052 122.1 . . ?
B04T B052 H052 121.4 . . ?
B04Z B052 B03Y 108.5(5) . . ?
B04Z B052 B04T 60.5(4) . . ?
B04Z B052 H052 121.6 . . ?
B050 B052 B03Y 60.1(3) . . ?
B050 B052 B04N 107.5(5) . . ?
B050 B052 B04T 108.0(5) . . ?
B050 B052 B04Z 59.6(4) . . ?
B050 B052 H052 122.1 . . ?
C00Y N007 C02H 116.6(4) . . ?
C00L C00K C00M 118.5(4) . . ?
C00L C00K B03P 123.3(4) . . ?
C00L C00K B039 119.0(4) . . ?
C00L C00K B043 122.2(4) . . ?
C00L C00K B049 117.2(4) . . ?
C00M C00K B039 59.5(3) . . ?
C00M C00K B049 59.8(3) . . ?
B03P C00K C00M 109.4(4) . . ?
B03P C00K B039 62.9(3) . . ?
B03P C00K B043 62.1(3) . . ?
B03P C00K B049 112.1(4) . . ?
B039 C00K B049 110.6(4) . . ?
B043 C00K C00M 108.6(4) . . ?
B043 C00K B039 112.8(4) . . ?
B043 C00K B049 61.4(3) . . ?
C00O C00L C00K 121.4(4) . . ?
C02P C00L C00K 120.7(5) . . ?
C02P C00L C00O 117.8(5) . . ?
C00K C00M B049 60.9(3) . . ?
C00Y C00M C00K 117.0(4) . . ?
C00Y C00M B02M 122.3(4) . . ?
C00Y C00M B04D 121.3(4) . . ?
C00Y C00M B039 118.3(4) . . ?
C00Y C00M B049 116.3(4) . . ?
B02M C00M C00K 110.9(4) . . ?
B02M C00M B039 62.5(3) . . ?
B02M C00M B049 114.1(4) . . ?
B04D C00M C00K 110.9(4) . . ?
B04D C00M B02M 63.4(3) . . ?
B04D C00M B039 114.0(4) . . ?
B04D C00M B049 62.1(3) . . ?
B039 C00M C00K 60.3(3) . . ?
B039 C00M B049 112.3(4) . . ?
C00L C00O H00O 119.8 . . ?
C00L C00O C013 120.3(5) . . ?
C013 C00O H00O 119.8 . . ?
N007 C00Y C00M 116.6(4) . . ?
N007 C00Y C01W 123.2(5) . . ?
C01W C00Y C00M 120.2(5) . . ?
O003 C01A C02S 122.4(6) . . ?
O003 C01A C019 121.0(5) . . ?
C02S C01A C019 116.6(5) . . ?
C02L C01D C013 117.4(5) . . ?
C02L C01D C042 121.5(6) . . ?
C013 C01D C042 121.1(6) . . ?
C00Y C01W H01W 120.7 . . ?
C00Y C01W C02O 118.6(5) . . ?
C02O C01W H01W 120.7 . . ?
N007 C02H H02H 118.2 . . ?
N007 C02H C024 123.5(5) . . ?
C024 C02H H02H 118.2 . . ?
C01D C02L H02L 118.9 . . ?
C02P C02L C01D 122.3(6) . . ?
C02P C02L H02L 118.9 . . ?
C01W C02O H02O 120.6 . . ?
C024 C02O C01W 118.7(5) . . ?
C024 C02O H02O 120.6 . . ?
C00L C02P H02P 119.5 . . ?
C02L C02P C00L 120.9(5) . . ?
C02L C02P H02P 119.5 . . ?
C01A C02S H02S 117.0 . . ?
C01A C02S C03M 117.5(5) . . ?
C01A C02S C04L 116.8(5) . . ?
C03M C02S H02S 117.0 . . ?
C03M C02S C04L 58.7(4) . . ?
C04L C02S H02S 117.0 . . ?
C02S C03M H03A 117.7 . . ?
C02S C03M H03B 117.7 . . ?
H03A C03M H03B 114.8 . . ?
C04L C03M C02S 60.6(4) . . ?
C04L C03M H03A 117.7 . . ?
C04L C03M H03B 117.7 . . ?
C02S C04L H04Q 117.7 . . ?
C02S C04L H04R 117.7 . . ?
C03M C04L C02S 60.6(4) . . ?
C03M C04L H04Q 117.7 . . ?
C03M C04L H04R 117.7 . . ?
H04Q C04L H04R 114.8 . . ?
C00O C013 H013 119.4 . . ?
C01D C013 C00O 121.2(5) . . ?
C01D C013 H013 119.4 . . ?
C01A C019 H01C 109.3 . . ?
C01A C019 H01D 109.3 . . ?
C01A C019 B02M 111.6(4) . . ?
H01C C019 H01D 108.0 . . ?
B02M C019 H01C 109.3 . . ?
B02M C019 H01D 109.3 . . ?
C02H C024 H024 120.4 . . ?
C02O C024 C02H 119.3(5) . . ?
C02O C024 H024 120.4 . . ?
C01D C042 H04S 109.5 . . ?
C01D C042 H04U 109.5 . . ?
C01D C042 H04V 109.5 . . ?
H04S C042 H04U 109.5 . . ?
H04S C042 H04V 109.5 . . ?
H04U C042 H04V 109.5 . . ?
C00M B02M B03U 104.7(4) . . ?
C00M B02M B04D 58.0(3) . . ?
C00M B02M B039 59.0(3) . . ?
C00M B02M B047 104.8(4) . . ?
C019 B02M C00M 119.1(4) . . ?
C019 B02M B03U 127.6(4) . . ?
C019 B02M B04D 121.2(5) . . ?
C019 B02M B039 119.4(4) . . ?
C019 B02M B047 126.8(4) . . ?
B04D B02M B03U 60.1(3) . . ?
B039 B02M B03U 106.9(4) . . ?
B039 B02M B04D 106.8(4) . . ?
B039 B02M B047 59.9(3) . . ?
B047 B02M B03U 58.8(3) . . ?
B047 B02M B04D 106.6(4) . . ?
C00K B03P H03P 123.4 . . ?
C00K B03P B03X 106.2(4) . . ?
C00K B03P B039 59.1(3) . . ?
C00K B03P B043 59.1(3) . . ?
C00K B03P B047 105.8(4) . . ?
B03X B03P H03P 122.1 . . ?
B03X B03P B039 107.5(4) . . ?
B03X B03P B047 59.8(3) . . ?
B039 B03P H03P 122.0 . . ?
B043 B03P H03P 121.9 . . ?
B043 B03P B03X 60.0(3) . . ?
B043 B03P B039 107.3(4) . . ?
B043 B03P B047 107.4(4) . . ?
B047 B03P H03P 122.5 . . ?
B047 B03P B039 59.6(3) . . ?
B02M B03U H03U 121.8 . . ?
B03X B03U B02M 108.4(4) . . ?
B03X B03U H03U 121.6 . . ?
B03X B03U B04D 107.5(4) . . ?
B03X B03U B04U 59.6(3) . . ?
B04D B03U B02M 59.4(3) . . ?
B04D B03U H03U 122.4 . . ?
B04D B03U B04U 59.6(3) . . ?
B04U B03U B02M 107.2(4) . . ?
B04U B03U H03U 122.4 . . ?
B047 B03U B02M 60.0(3) . . ?
B047 B03U H03U 122.1 . . ?
B047 B03U B03X 60.2(3) . . ?
B047 B03U B04D 107.1(4) . . ?
B047 B03U B04U 107.1(5) . . ?
B03P B03X H03X 121.9 . . ?
B03U B03X B03P 108.2(4) . . ?
B03U B03X H03X 121.3 . . ?
B04U B03X B03P 107.4(4) . . ?
B04U B03X B03U 60.8(3) . . ?
B04U B03X H03X 121.9 . . ?
B043 B03X B03P 59.5(3) . . ?
B043 B03X B03U 108.4(4) . . ?
B043 B03X H03X 122.1 . . ?
B043 B03X B04U 59.5(3) . . ?
B043 B03X B047 107.3(4) . . ?
B047 B03X B03P 60.2(3) . . ?
B047 B03X B03U 59.4(3) . . ?
B047 B03X H03X 122.2 . . ?
B047 B03X B04U 107.4(4) . . ?
C00M B04D B02M 58.6(3) . . ?
C00M B04D B03U 105.4(4) . . ?
C00M B04D H04X 123.9 . . ?
C00M B04D B04U 105.4(4) . . ?
C00M B04D B049 60.1(3) . . ?
B02M B04D B03U 60.4(3) . . ?
B02M B04D H04X 121.1 . . ?
B02M B04D B04U 108.5(4) . . ?
B03U B04D H04X 122.3 . . ?
B04U B04D B03U 60.2(3) . . ?
B04U B04D H04X 122.5 . . ?
B049 B04D B02M 108.6(4) . . ?
B049 B04D B03U 107.4(5) . . ?
B049 B04D H04X 121.6 . . ?
B049 B04D B04U 58.8(3) . . ?
B03U B04U H04Y 121.8 . . ?
B03X B04U B03U 59.6(3) . . ?
B03X B04U B04D 108.0(4) . . ?
B03X B04U H04Y 121.7 . . ?
B04D B04U B03U 60.2(3) . . ?
B04D B04U H04Y 121.7 . . ?
B043 B04U B03U 107.8(4) . . ?
B043 B04U B03X 60.0(3) . . ?
B043 B04U B04D 108.3(4) . . ?
B043 B04U H04Y 121.6 . . ?
B049 B04U B03U 108.4(4) . . ?
B049 B04U B03X 108.8(4) . . ?
B049 B04U B04D 60.1(3) . . ?
B049 B04U H04Y 121.1 . . ?
B049 B04U B043 60.7(3) . . ?
C00K B039 B02M 107.8(4) . . ?
C00K B039 B03P 57.9(3) . . ?
C00K B039 H039 122.9 . . ?
C00K B039 B047 105.1(4) . . ?
C00M B039 C00K 60.3(3) . . ?
C00M B039 B02M 58.6(3) . . ?
C00M B039 B03P 106.1(4) . . ?
C00M B039 H039 123.5 . . ?
C00M B039 B047 104.9(4) . . ?
B02M B039 B03P 109.0(4) . . ?
B02M B039 H039 121.0 . . ?
B02M B039 B047 60.3(3) . . ?
B03P B039 H039 122.1 . . ?
B047 B039 B03P 59.9(3) . . ?
B047 B039 H039 123.3 . . ?
C00K B043 B03P 58.8(3) . . ?
C00K B043 B03X 106.4(4) . . ?
C00K B043 B04U 106.8(4) . . ?
C00K B043 H043 123.0 . . ?
C00K B043 B049 60.6(3) . . ?
B03P B043 B03X 60.5(3) . . ?
B03P B043 H043 121.2 . . ?
B03P B043 B049 108.7(4) . . ?
B03X B043 H043 121.9 . . ?
B03X B043 B049 107.9(4) . . ?
B04U B043 B03P 108.8(4) . . ?
B04U B043 B03X 60.4(4) . . ?
B04U B043 H043 121.9 . . ?
B04U B043 B049 59.2(3) . . ?
B049 B043 H043 121.4 . . ?
B02M B047 H047 120.8 . . ?
B03P B047 B02M 109.0(4) . . ?
B03P B047 H047 121.3 . . ?
B03U B047 B02M 61.2(3) . . ?
B03U B047 B03P 108.9(4) . . ?
B03U B047 B03X 60.4(3) . . ?
B03U B047 B039 108.7(4) . . ?
B03U B047 H047 120.9 . . ?
B03X B047 B02M 109.5(4) . . ?
B03X B047 B03P 60.0(3) . . ?
B03X B047 B039 108.4(4) . . ?
B03X B047 H047 121.3 . . ?
B039 B047 B02M 59.7(3) . . ?
B039 B047 B03P 60.5(3) . . ?
B039 B047 H047 121.7 . . ?
C00K B049 B04D 106.1(4) . . ?
C00K B049 B043 58.0(3) . . ?
C00K B049 H049 123.6 . . ?
C00M B049 C00K 59.3(3) . . ?
C00M B049 B04D 57.8(3) . . ?
C00M B049 B04U 105.5(4) . . ?
C00M B049 B043 105.5(4) . . ?
C00M B049 H049 123.9 . . ?
B04D B049 B043 108.7(4) . . ?
B04D B049 H049 121.6 . . ?
B04U B049 C00K 105.5(4) . . ?
B04U B049 B04D 61.2(3) . . ?
B04U B049 B043 60.1(3) . . ?
B04U B049 H049 122.3 . . ?
B043 B049 H049 122.2 . . ?
C011 N00A C03T 116.5(5) . . ?
C00J C00H B02I 60.2(3) . . ?
C00J C00H B03E 110.9(3) . . ?
C011 C00H C00J 118.0(4) . . ?
C011 C00H B02I 117.2(4) . . ?
C011 C00H B02N 118.1(4) . . ?
C011 C00H B03E 120.4(4) . . ?
C011 C00H B038 122.4(4) . . ?
B02N C00H C00J 60.8(3) . . ?
B02N C00H B02I 112.1(3) . . ?
B02N C00H B03E 114.4(4) . . ?
B03E C00H B02I 62.4(3) . . ?
B038 C00H C00J 110.3(3) . . ?
B038 C00H B02I 112.9(4) . . ?
B038 C00H B02N 62.4(3) . . ?
B038 C00H B03E 62.8(3) . . ?
C00H C00J B02I 60.1(3) . . ?
C00H C00J B02N 59.4(3) . . ?
C008 C00J C00H 119.8(3) . . ?
C008 C00J B02I 117.7(4) . . ?
C008 C00J B02N 119.2(4) . . ?
C008 C00J B02Y 122.0(4) . . ?
C008 C00J B031 121.4(4) . . ?
B02I C00J B02N 110.9(4) . . ?
B02Y C00J C00H 109.1(3) . . ?
B02Y C00J B02I 112.5(4) . . ?
B02Y C00J B02N 62.4(3) . . ?
B02Y C00J B031 62.1(3) . . ?
B031 C00J C00H 108.9(4) . . ?
B031 C00J B02I 61.8(3) . . ?
B031 C00J B02N 112.5(4) . . ?
C01S C01G H01G 119.7 . . ?
C01S C01G C008 120.6(5) . . ?
C008 C01G H01G 119.7 . . ?
C02B C01J H01J 118.9 . . ?
C02B C01J C008 122.1(5) . . ?
C008 C01J H01J 118.9 . . ?
O00C C01M C020 119.8(6) . . ?
O00C C01M C030 122.1(5) . . ?
C030 C01M C020 118.0(5) . . ?
C01G C01S H01S 118.9 . . ?
C01G C01S C017 122.1(5) . . ?
C017 C01S H01S 118.9 . . ?
C01J C02B H02D 119.2 . . ?
C01J C02B C017 121.7(5) . . ?
C017 C02B H02D 119.2 . . ?
C011 C03G H03G 121.3 . . ?
C011 C03G C051 117.4(6) . . ?
C051 C03G H03G 121.3 . . ?
H03C C03I H03E 109.5 . . ?
H03C C03I H03F 109.5 . . ?
H03E C03I H03F 109.5 . . ?
C017 C03I H03C 109.5 . . ?
C017 C03I H03E 109.5 . . ?
C017 C03I H03F 109.5 . . ?
N00A C03T H03T 117.9 . . ?
N00A C03T C040 124.1(6) . . ?
C040 C03T H03T 117.9 . . ?
H04 C04V H 114.7 . . ?
C030 C04V H04 117.6 . . ?
C030 C04V H 117.6 . . ?
C054 C04V H04 117.6 . . ?
C054 C04V H 117.6 . . ?
C054 C04V C030 61.3(4) . . ?
C01G C008 C00J 122.3(4) . . ?
C01J C008 C00J 120.3(5) . . ?
C01J C008 C01G 117.2(5) . . ?
N00A C011 C00H 116.1(4) . . ?
N00A C011 C03G 124.0(4) . . ?
C03G C011 C00H 119.9(5) . . ?
C01S C017 C03I 122.4(5) . . ?
C02B C017 C01S 116.2(5) . . ?
C02B C017 C03I 121.4(5) . . ?
C01M C020 H02E 109.0 . . ?
C01M C020 H02F 109.0 . . ?
C01M C020 B03E 113.1(4) . . ?
H02E C020 H02F 107.8 . . ?
B03E C020 H02E 109.0 . . ?
B03E C020 H02F 109.0 . . ?
C01M C030 C04V 118.9(5) . . ?
C01M C030 H030 116.4 . . ?
C01M C030 C054 117.7(6) . . ?
C04V C030 H030 116.4 . . ?
C04V C030 C054 58.6(4) . . ?
C054 C030 H030 116.4 . . ?
C03T C040 H040 120.6 . . ?
C03T C040 C051 118.9(6) . . ?
C051 C040 H040 120.6 . . ?
C03G C051 H051 120.5 . . ?
C040 C051 C03G 119.0(6) . . ?
C040 C051 H051 120.5 . . ?
C04V C054 C030 60.1(4) . . ?
C04V C054 H05E 117.8 . . ?
C04V C054 H05F 117.8 . . ?
C030 C054 H05E 117.8 . . ?
C030 C054 H05F 117.8 . . ?
H05E C054 H05F 114.9 . . ?
C00H B02I C00J 59.7(3) . . ?
C00H B02I H02I 123.5 . . ?
C00H B02I B03E 58.7(3) . . ?
C00H B02I B04G 105.5(4) . . ?
C00H B02I B031 106.2(4) . . ?
C00J B02I H02I 122.7 . . ?
C00J B02I B03E 107.5(4) . . ?
C00J B02I B04G 105.9(4) . . ?
C00J B02I B031 58.8(3) . . ?
B03E B02I H02I 121.2 . . ?
B04G B02I H02I 122.8 . . ?
B04G B02I B03E 60.6(3) . . ?
B031 B02I H02I 122.0 . . ?
B031 B02I B03E 108.8(4) . . ?
B031 B02I B04G 59.7(3) . . ?
C00H B02N C00J 59.9(3) . . ?
C00H B02N H02N 122.9 . . ?
C00H B02N B02R 106.3(4) . . ?
C00H B02N B02Y 106.1(4) . . ?
C00H B02N B038 58.7(3) . . ?
C00J B02N H02N 123.1 . . ?
C00J B02N B02R 105.8(4) . . ?
C00J B02N B02Y 58.2(3) . . ?
C00J B02N B038 106.6(4) . . ?
B02R B02N H02N 122.5 . . ?
B02R B02N B02Y 59.8(3) . . ?
B02Y B02N H02N 122.5 . . ?
B038 B02N H02N 122.0 . . ?
B038 B02N B02R 60.3(3) . . ?
B038 B02N B02Y 107.6(4) . . ?
B02N B02R H02R 122.0 . . ?
B02N B02R B03K 106.6(4) . . ?
B02N B02R B038 59.7(3) . . ?
B02Y B02R B02N 60.3(3) . . ?
B02Y B02R H02R 122.0 . . ?
B02Y B02R B03K 106.9(4) . . ?
B02Y B02R B038 107.6(4) . . ?
B03K B02R H02R 122.7 . . ?
B04F B02R B02N 107.4(4) . . ?
B04F B02R H02R 122.2 . . ?
B04F B02R B02Y 59.3(3) . . ?
B04F B02R B03K 59.8(3) . . ?
B04F B02R B038 107.0(4) . . ?
B038 B02R H02R 122.3 . . ?
B038 B02R B03K 58.9(3) . . ?
C00J B02Y B02N 59.4(3) . . ?
C00J B02Y B02R 106.8(4) . . ?
C00J B02Y H02Y 123.1 . . ?
C00J B02Y B04F 106.6(4) . . ?
C00J B02Y B031 59.0(3) . . ?
B02N B02Y H02Y 122.0 . . ?
B02R B02Y B02N 59.8(3) . . ?
B02R B02Y H02Y 121.6 . . ?
B04F B02Y B02N 107.8(4) . . ?
B04F B02Y B02R 60.3(3) . . ?
B04F B02Y H02Y 121.9 . . ?
B04F B02Y B031 60.3(3) . . ?
B031 B02Y B02N 107.5(4) . . ?
B031 B02Y B02R 108.5(4) . . ?
B031 B02Y H02Y 121.7 . . ?
C00H B03E B02I 58.9(3) . . ?
C00H B03E B03K 103.7(4) . . ?
C00H B03E B04G 104.7(4) . . ?
C00H B03E B038 58.2(3) . . ?
C020 B03E C00H 119.5(4) . . ?
C020 B03E B02I 118.0(4) . . ?
C020 B03E B03K 129.2(4) . . ?
C020 B03E B04G 125.1(4) . . ?
C020 B03E B038 123.7(4) . . ?
B02I B03E B03K 106.3(4) . . ?
B02I B03E B04G 59.3(3) . . ?
B04G B03E B03K 59.5(3) . . ?
B038 B03E B02I 106.4(4) . . ?
B038 B03E B03K 58.7(3) . . ?
B038 B03E B04G 106.3(4) . . ?
B02R B03K B03E 109.0(4) . . ?
B02R B03K H03K 121.4 . . ?
B03E B03K H03K 121.0 . . ?
B04F B03K B02R 59.7(3) . . ?
B04F B03K B03E 108.9(4) . . ?
B04F B03K H03K 121.5 . . ?
B04F B03K B04G 60.6(3) . . ?
B04G B03K B02R 108.4(4) . . ?
B04G B03K B03E 60.1(3) . . ?
B04G B03K H03K 121.5 . . ?
B038 B03K B02R 60.3(3) . . ?
B038 B03K B03E 60.3(3) . . ?
B038 B03K H03K 121.8 . . ?
B038 B03K B04F 108.0(4) . . ?
B038 B03K B04G 108.0(4) . . ?
B02R B04F B03K 60.5(3) . . ?
B02R B04F H0AA 121.0 . . ?
B02R B04F B04G 108.4(4) . . ?
B02Y B04F B02R 60.3(3) . . ?
B02Y B04F B03K 108.2(4) . . ?
B02Y B04F H0AA 121.6 . . ?
B02Y B04F B04G 107.7(4) . . ?
B02Y B04F B031 60.2(3) . . ?
B03K B04F H0AA 121.8 . . ?
B03K B04F B04G 59.9(3) . . ?
B04G B04F H0AA 122.1 . . ?
B031 B04F B02R 108.4(4) . . ?
B031 B04F B03K 107.3(4) . . ?
B031 B04F H0AA 122.1 . . ?
B031 B04F B04G 59.2(3) . . ?
B02I B04G B03E 60.1(3) . . ?
B02I B04G B03K 107.5(4) . . ?
B02I B04G B04F 107.4(4) . . ?
B02I B04G H1AA 122.1 . . ?
B03E B04G B04F 108.2(4) . . ?
B03E B04G H1AA 121.1 . . ?
B03K B04G B03E 60.3(3) . . ?
B03K B04G B04F 59.5(3) . . ?
B03K B04G H1AA 122.1 . . ?
B04F B04G H1AA 122.1 . . ?
B031 B04G B02I 60.1(3) . . ?
B031 B04G B03E 108.6(4) . . ?
B031 B04G B03K 107.4(4) . . ?
B031 B04G B04F 59.6(3) . . ?
B031 B04G H1AA 121.7 . . ?
C00J B031 B02I 59.4(3) . . ?
C00J B031 B02Y 58.8(3) . . ?
C00J B031 B04F 105.9(4) . . ?
C00J B031 B04G 106.8(4) . . ?
C00J B031 H031 123.6 . . ?
B02I B031 B02Y 107.9(4) . . ?
B02I B031 B04F 108.7(4) . . ?
B02I B031 H031 121.4 . . ?
B02Y B031 B04F 59.6(3) . . ?
B02Y B031 H031 121.8 . . ?
B04F B031 H031 121.8 . . ?
B04G B031 B02I 60.2(3) . . ?
B04G B031 B02Y 108.8(4) . . ?
B04G B031 B04F 61.2(3) . . ?
B04G B031 H031 121.1 . . ?
C00H B038 B02N 58.9(3) . . ?
C00H B038 B02R 106.2(4) . . ?
C00H B038 B03E 59.0(3) . . ?
C00H B038 B03K 106.1(4) . . ?
C00H B038 H038 124.0 . . ?
B02N B038 B02R 60.0(3) . . ?
B02N B038 B03E 108.4(4) . . ?
B02N B038 H038 121.7 . . ?
B02R B038 B03E 110.0(4) . . ?
B02R B038 H038 121.2 . . ?
B03E B038 H038 120.6 . . ?
B03K B038 B02N 108.4(4) . . ?
B03K B038 B02R 60.8(3) . . ?
B03K B038 B03E 61.0(3) . . ?
B03K B038 H038 121.6 . . ?
C012 N002 C01Q 117.7(4) . . ?
C01F C00B C00D 119.9(4) . . ?
C015 C00B C00D 123.0(4) . . ?
C015 C00B C01F 116.9(4) . . ?
C00B C00D C00G 119.7(3) . . ?
C00B C00D B01R 117.6(4) . . ?
C00B C00D B02F 121.9(4) . . ?
C00B C00D B02U 119.6(4) . . ?
C00B C00D B03B 123.1(4) . . ?
C00G C00D B01R 59.9(3) . . ?
C00G C00D B02F 108.3(3) . . ?
C00G C00D B02U 59.7(3) . . ?
C00G C00D B03B 108.2(3) . . ?
B01R C00D B02U 110.8(3) . . ?
B01R C00D B03B 112.0(4) . . ?
B02F C00D B01R 61.5(3) . . ?
B02F C00D B02U 111.7(3) . . ?
B02F C00D B03B 62.3(3) . . ?
B03B C00D B02U 61.3(3) . . ?
C00D C00G B01R 60.3(3) . . ?
C00D C00G B02U 60.9(3) . . ?
C00D C00G B02X 111.8(3) . . ?
C012 C00G C00D 116.2(3) . . ?
C012 C00G B01R 117.8(4) . . ?
C012 C00G B02U 116.4(4) . . ?
C012 C00G B02X 121.7(4) . . ?
C012 C00G B033 122.2(4) . . ?
B01R C00G B02U 112.1(3) . . ?
B01R C00G B02X 62.8(3) . . ?
B02U C00G B02X 114.8(3) . . ?
B033 C00G C00D 111.0(3) . . ?
B033 C00G B01R 113.6(4) . . ?
B033 C00G B02U 62.3(3) . . ?
B033 C00G B02X 63.4(3) . . ?
O006 C00V C01L 121.5(5) . . ?
O006 C00V C01P 120.9(5) . . ?
C01P C00V C01L 117.6(5) . . ?
C01N C00Z C01U 117.0(5) . . ?
C01N C00Z C03A 120.6(5) . . ?
C01U C00Z C03A 122.4(5) . . ?
C00B C01F H01F 119.5 . . ?
C00B C01F C01N 121.1(5) . . ?
C01N C01F H01F 119.5 . . ?
C03F C01I H01I 121.1 . . ?
C012 C01I H01I 121.1 . . ?
C012 C01I C03F 117.8(5) . . ?
C00V C01L H01E 109.0 . . ?
C00V C01L H01H 109.0 . . ?
C00V C01L B02X 112.9(4) . . ?
H01E C01L H01H 107.8 . . ?
B02X C01L H01E 109.0 . . ?
B02X C01L H01H 109.0 . . ?
C00Z C01N C01F 121.6(5) . . ?
C00Z C01N H01N 119.2 . . ?
C01F C01N H01N 119.2 . . ?
C00V C01P H01P 116.7 . . ?
C00V C01P C03W 117.0(5) . . ?
C00V C01P C04Y 119.2(5) . . ?
C03W C01P H01P 116.7 . . ?
C04Y C01P H01P 116.7 . . ?
C04Y C01P C03W 57.6(4) . . ?
N002 C01Q H01Q 118.7 . . ?
N002 C01Q C023 122.7(5) . . ?
C023 C01Q H01Q 118.7 . . ?
C00Z C01U H01U 118.9 . . ?
C00Z C01U C015 122.2(5) . . ?
C015 C01U H01U 118.9 . . ?
C00Z C03A H03I 109.5 . . ?
C00Z C03A H03J 109.5 . . ?
C00Z C03A H03L 109.5 . . ?
H03I C03A H03J 109.5 . . ?
H03I C03A H03L 109.5 . . ?
H03J C03A H03L 109.5 . . ?
C01I C03F H03M 120.4 . . ?
C023 C03F C01I 119.2(5) . . ?
C023 C03F H03M 120.4 . . ?
C01P C03W H03N 117.8 . . ?
C01P C03W H03O 117.8 . . ?
H03N C03W H03O 114.9 . . ?
C04Y C03W C01P 59.9(4) . . ?
C04Y C03W H03N 117.8 . . ?
C04Y C03W H03O 117.8 . . ?
C01P C04Y H2AA 117.5 . . ?
C01P C04Y HA 117.5 . . ?
C03W C04Y C01P 62.5(4) . . ?
C03W C04Y H2AA 117.5 . . ?
C03W C04Y HA 117.5 . . ?
H2AA C04Y HA 114.6 . . ?
N002 C012 C00G 116.3(4) . . ?
N002 C012 C01I 123.0(4) . . ?
C01I C012 C00G 120.7(5) . . ?
C00B C015 C01U 121.2(5) . . ?
C00B C015 H015 119.4 . . ?
C01U C015 H015 119.4 . . ?
C01Q C023 H023 120.2 . . ?
C03F C023 C01Q 119.6(5) . . ?
C03F C023 H023 120.2 . . ?
C00D B01R H01R 122.1 . . ?
C00D B01R B02F 59.2(3) . . ?
C00D B01R B02X 108.0(4) . . ?
C00D B01R B03Q 107.0(4) . . ?
C00G B01R C00D 59.7(3) . . ?
C00G B01R H01R 123.7 . . ?
C00G B01R B02F 106.3(4) . . ?
C00G B01R B02X 58.7(3) . . ?
C00G B01R B03Q 105.5(4) . . ?
B02F B01R H01R 121.7 . . ?
B02F B01R B02X 109.2(4) . . ?
B02F B01R B03Q 60.4(3) . . ?
B02X B01R H01R 121.1 . . ?
B03Q B01R H01R 122.5 . . ?
B03Q B01R B02X 60.4(3) . . ?
C00D B02F B01R 59.4(3) . . ?
C00D B02F H02G 123.4 . . ?
C00D B02F B03B 59.0(3) . . ?
C00D B02F B03Q 106.8(4) . . ?
C00D B02F B044 105.9(4) . . ?
B01R B02F H02G 121.8 . . ?
B01R B02F B03B 107.7(4) . . ?
B01R B02F B03Q 59.9(3) . . ?
B01R B02F B044 108.0(4) . . ?
B03B B02F H02G 121.8 . . ?
B03Q B02F H02G 121.3 . . ?
B03Q B02F B03B 108.6(4) . . ?
B044 B02F H02G 122.1 . . ?
B044 B02F B03B 59.6(3) . . ?
B044 B02F B03Q 60.9(3) . . ?
C00D B02U H02U 122.8 . . ?
C00D B02U B03B 59.0(3) . . ?
C00D B02U B033 106.6(4) . . ?
C00D B02U B034 105.8(4) . . ?
C00G B02U C00D 59.5(3) . . ?
C00G B02U H02U 123.8 . . ?
C00G B02U B03B 106.2(4) . . ?
C00G B02U B033 58.2(3) . . ?
C00G B02U B034 104.7(4) . . ?
B03B B02U H02U 121.8 . . ?
B033 B02U H02U 122.0 . . ?
B033 B02U B03B 108.2(4) . . ?
B034 B02U H02U 123.2 . . ?
B034 B02U B03B 60.0(3) . . ?
B034 B02U B033 59.8(3) . . ?
C00G B02X B01R 58.5(3) . . ?
C00G B02X B03O 103.4(4) . . ?
C00G B02X B03Q 104.3(4) . . ?
C00G B02X B033 57.6(3) . . ?
C01L B02X C00G 118.7(4) . . ?
C01L B02X B01R 118.7(4) . . ?
C01L B02X B03O 129.5(4) . . ?
C01L B02X B03Q 126.3(4) . . ?
C01L B02X B033 122.7(4) . . ?
B01R B02X B03O 106.1(4) . . ?
B01R B02X B033 105.6(4) . . ?
B03Q B02X B01R 59.1(3) . . ?
B03Q B02X B03O 59.9(3) . . ?
B03Q B02X B033 106.6(4) . . ?
B033 B02X B03O 59.0(3) . . ?
C00D B03B B02F 58.7(3) . . ?
C00D B03B B02U 59.7(3) . . ?
C00D B03B H03Q 123.4 . . ?
C00D B03B B034 106.0(4) . . ?
C00D B03B B044 105.9(4) . . ?
B02F B03B H03Q 122.1 . . ?
B02U B03B B02F 107.6(4) . . ?
B02U B03B H03Q 121.7 . . ?
B034 B03B B02F 107.4(4) . . ?
B034 B03B B02U 59.6(3) . . ?
B034 B03B H03Q 122.4 . . ?
B034 B03B B044 59.8(3) . . ?
B044 B03B B02F 59.9(3) . . ?
B044 B03B B02U 107.6(4) . . ?
B044 B03B H03Q 122.3 . . ?
B02X B03O H03W 121.3 . . ?
B03Q B03O B02X 59.7(3) . . ?
B03Q B03O H03W 121.8 . . ?
B033 B03O B02X 60.4(3) . . ?
B033 B03O H03W 122.2 . . ?
B033 B03O B03Q 107.5(4) . . ?
B034 B03O B02X 108.1(4) . . ?
B034 B03O H03W 122.1 . . ?
B034 B03O B03Q 107.7(4) . . ?
B034 B03O B033 59.4(3) . . ?
B034 B03O B044 59.5(3) . . ?
B044 B03O B02X 108.5(4) . . ?
B044 B03O H03W 121.7 . . ?
B044 B03O B03Q 60.6(3) . . ?
B044 B03O B033 107.2(4) . . ?
B01R B03Q B02F 59.7(3) . . ?
B01R B03Q B02X 60.6(3) . . ?
B01R B03Q B03O 107.6(4) . . ?
B01R B03Q H03Y 122.1 . . ?
B01R B03Q B044 106.8(4) . . ?
B02F B03Q B02X 108.8(4) . . ?
B02F B03Q B03O 107.2(4) . . ?
B02F B03Q H03Y 121.8 . . ?
B02F B03Q B044 59.5(3) . . ?
B02X B03Q B03O 60.3(3) . . ?
B02X B03Q H03Y 120.9 . . ?
B02X B03Q B044 107.9(4) . . ?
B03O B03Q H03Y 122.2 . . ?
B03O B03Q B044 59.2(3) . . ?
B044 B03Q H03Y 122.6 . . ?
C00G B033 B02U 59.5(3) . . ?
C00G B033 B02X 59.1(3) . . ?
C00G B033 B03O 105.8(4) . . ?
C00G B033 H033 124.0 . . ?
C00G B033 B034 105.7(4) . . ?
B02U B033 B02X 108.9(4) . . ?
B02U B033 B03O 108.3(4) . . ?
B02U B033 H033 121.2 . . ?
B02X B033 H033 120.8 . . ?
B03O B033 B02X 60.6(3) . . ?
B03O B033 H033 122.0 . . ?
B034 B033 B02U 59.8(3) . . ?
B034 B033 B02X 108.9(4) . . ?
B034 B033 B03O 60.2(3) . . ?
B034 B033 H033 122.0 . . ?
B02U B034 B03B 60.4(3) . . ?
B02U B034 B03O 109.0(4) . . ?
B02U B034 B033 60.5(3) . . ?
B02U B034 H034 121.2 . . ?
B02U B034 B044 108.6(4) . . ?
B03B B034 B03O 109.0(4) . . ?
B03B B034 H034 121.1 . . ?
B03O B034 H034 121.1 . . ?
B033 B034 B03B 109.1(4) . . ?
B033 B034 B03O 60.4(3) . . ?
B033 B034 H034 121.2 . . ?
B033 B034 B044 108.6(4) . . ?
B044 B034 B03B 60.3(3) . . ?
B044 B034 B03O 60.3(3) . . ?
B044 B034 H034 121.5 . . ?
B02F B044 B03Q 59.6(3) . . ?
B02F B044 H044 121.7 . . ?
B03B B044 B02F 60.6(3) . . ?
B03B B044 B03O 108.7(4) . . ?
B03B B044 B03Q 108.4(4) . . ?
B03B B044 H044 121.2 . . ?
B03O B044 B02F 108.2(4) . . ?
B03O B044 B03Q 60.3(3) . . ?
B03O B044 H044 121.3 . . ?
B03Q B044 H044 121.8 . . ?
B034 B044 B02F 108.0(4) . . ?
B034 B044 B03B 60.0(3) . . ?
B034 B044 B03O 60.2(3) . . ?
B034 B044 B03Q 108.0(4) . . ?
B034 B044 H044 121.8 . . ?
C00T N005 C01X 116.3(5) . . ?
C02G C00E C00I 120.8(4) . . ?
C02G C00E C016 116.8(5) . . ?
C016 C00E C00I 122.3(4) . . ?
C00E C00I C00W 118.1(4) . . ?
C00E C00I B02T 118.9(4) . . ?
C00E C00I B04H 117.7(4) . . ?
C00E C00I B04R 122.5(4) . . ?
C00E C00I B048 123.8(4) . . ?
C00W C00I B04H 59.1(3) . . ?
B02T C00I C00W 59.5(3) . . ?
B02T C00I B04H 109.8(4) . . ?
B04R C00I C00W 108.9(4) . . ?
B04R C00I B02T 112.4(4) . . ?
B04R C00I B04H 62.1(3) . . ?
B048 C00I C00W 108.7(4) . . ?
B048 C00I B02T 62.0(3) . . ?
B048 C00I B04H 112.0(4) . . ?
B048 C00I B04R 62.3(3) . . ?
N005 C00T C00W 115.3(4) . . ?
N005 C00T C028 122.9(5) . . ?
C028 C00T C00W 121.8(5) . . ?
C00T C00W C00I 116.7(4) . . ?
C00T C00W B02T 119.2(4) . . ?
C00T C00W B03L 123.0(4) . . ?
C00T C00W B04B 121.6(4) . . ?
C00T C00W B04H 115.7(4) . . ?
B02T C00W C00I 60.1(3) . . ?
B02T C00W B03L 62.8(3) . . ?
B03L C00W C00I 111.1(4) . . ?
B04B C00W C00I 110.5(4) . . ?
B04B C00W B02T 113.2(4) . . ?
B04B C00W B03L 62.7(3) . . ?
B04B C00W B04H 62.0(3) . . ?
B04H C00W C00I 60.8(3) . . ?
B04H C00W B02T 111.7(4) . . ?
B04H C00W B03L 113.6(4) . . ?
C01K C01E H01K 119.3 . . ?
C01K C01E C016 121.5(5) . . ?
C016 C01E H01K 119.3 . . ?
O00F C01H C01Y 122.0(6) . . ?
O00F C01H C03N 120.1(6) . . ?
C03N C01H C01Y 117.8(5) . . ?
C01E C01K C03C 121.5(5) . . ?
C01E C01K C03J 117.2(5) . . ?
C03J C01K C03C 121.2(5) . . ?
N005 C01X H01X 117.9 . . ?
N005 C01X C02D 124.2(5) . . ?
C02D C01X H01X 117.9 . . ?
C01H C01Y H01L 109.3 . . ?
C01H C01Y H01M 109.3 . . ?
C01H C01Y B03L 111.7(4) . . ?
H01L C01Y H01M 107.9 . . ?
B03L C01Y H01L 109.3 . . ?
B03L C01Y H01M 109.3 . . ?
C01X C02D H02J 120.8 . . ?
C01X C02D C02J 118.4(5) . . ?
C02J C02D H02J 120.8 . . ?
C00E C02G H02M 119.0 . . ?
C00E C02G C03J 122.1(5) . . ?
C03J C02G H02M 119.0 . . ?
C02D C02J H02T 120.6 . . ?
C02D C02J C028 118.8(6) . . ?
C028 C02J H02T 120.6 . . ?
C01K C03C H03Z 109.5 . . ?
C01K C03C HB 109.5 . . ?
C01K C03C HC 109.5 . . ?
H03Z C03C HB 109.5 . . ?
H03Z C03C HC 109.5 . . ?
HB C03C HC 109.5 . . ?
C01K C03J H03 119.5 . . ?
C02G C03J C01K 121.0(5) . . ?
C02G C03J H03 119.5 . . ?
C01H C03N H3AA 116.7 . . ?
C01H C03N C04K 117.6(6) . . ?
C01H C03N C056 118.2(6) . . ?
C04K C03N H3AA 116.7 . . ?
C056 C03N H3AA 116.7 . . ?
C056 C03N C04K 57.8(4) . . ?
C03N C04K H4AA 117.8 . . ?
C03N C04K HD 117.8 . . ?
H4AA C04K HD 114.9 . . ?
C056 C04K C03N 60.1(4) . . ?
C056 C04K H4AA 117.8 . . ?
C056 C04K HD 117.8 . . ?
C00E C016 C01E 121.3(5) . . ?
C00E C016 H016 119.3 . . ?
C01E C016 H016 119.3 . . ?
C00T C028 C02J 119.4(5) . . ?
C00T C028 H028 120.3 . . ?
C02J C028 H028 120.3 . . ?
C03N C056 H05G 117.5 . . ?
C03N C056 H05H 117.5 . . ?
C04K C056 C03N 62.2(5) . . ?
C04K C056 H05G 117.5 . . ?
C04K C056 H05H 117.5 . . ?
H05G C056 H05H 114.6 . . ?
C00I B02T H02X 122.6 . . ?
C00I B02T B03L 108.0(4) . . ?
C00I B02T B04S 105.7(4) . . ?
C00I B02T B048 58.0(3) . . ?
C00W B02T C00I 60.4(3) . . ?
C00W B02T H02X 123.3 . . ?
C00W B02T B03L 58.6(3) . . ?
C00W B02T B04S 105.2(4) . . ?
C00W B02T B048 106.3(4) . . ?
B03L B02T H02X 121.0 . . ?
B04S B02T H02X 123.0 . . ?
B04S B02T B03L 60.4(3) . . ?
B04S B02T B048 60.3(3) . . ?
B048 B02T H02X 121.9 . . ?
B048 B02T B03L 109.2(4) . . ?
C00W B03L B02T 58.6(3) . . ?
C00W B03L B04B 58.4(3) . . ?
C00W B03L B04Q 104.0(4) . . ?
C00W B03L B04S 103.8(4) . . ?
C01Y B03L C00W 118.7(4) . . ?
C01Y B03L B02T 119.5(4) . . ?
C01Y B03L B04B 121.5(5) . . ?
C01Y B03L B04Q 128.7(5) . . ?
C01Y B03L B04S 127.3(5) . . ?
B04B B03L B02T 106.3(4) . . ?
B04Q B03L B02T 106.0(4) . . ?
B04Q B03L B04B 59.2(3) . . ?
B04S B03L B02T 58.7(3) . . ?
B04S B03L B04B 106.4(4) . . ?
B04S B03L B04Q 59.5(3) . . ?
C00W B04B B03L 58.9(3) . . ?
C00W B04B H5AA 124.2 . . ?
C00W B04B B04H 59.2(3) . . ?
C00W B04B B04Q 105.3(4) . . ?
C00W B04B B04X 104.9(5) . . ?
B03L B04B H5AA 121.1 . . ?
B03L B04B B04X 108.2(5) . . ?
B04H B04B B03L 108.3(4) . . ?
B04H B04B H5AA 121.7 . . ?
B04H B04B B04X 59.2(3) . . ?
B04Q B04B B03L 60.4(3) . . ?
B04Q B04B H5AA 122.2 . . ?
B04Q B04B B04H 107.6(5) . . ?
B04Q B04B B04X 60.0(3) . . ?
B04X B04B H5AA 122.6 . . ?
C00I B04H B04B 107.4(4) . . ?
C00I B04H H6AA 123.2 . . ?
C00I B04H B04R 58.1(3) . . ?
C00I B04H B04X 104.9(4) . . ?
C00W B04H C00I 60.1(3) . . ?
C00W B04H B04B 58.8(3) . . ?
C00W B04H H6AA 122.9 . . ?
C00W B04H B04R 106.5(4) . . ?
C00W B04H B04X 106.1(4) . . ?
B04B B04H H6AA 120.9 . . ?
B04B B04H B04R 108.9(4) . . ?
B04R B04H H6AA 122.3 . . ?
B04X B04H B04B 61.2(4) . . ?
B04X B04H H6AA 122.9 . . ?
B04X B04H B04R 59.2(3) . . ?
B04Q B04P H7AA 121.7 . . ?
B04Q B04P B04R 107.7(4) . . ?
B04R B04P H7AA 122.3 . . ?
B04S B04P H7AA 122.2 . . ?
B04S B04P B04Q 59.7(3) . . ?
B04S B04P B04R 107.1(4) . . ?
B04S B04P B048 59.6(3) . . ?
B04X B04P H7AA 122.2 . . ?
B04X B04P B04Q 60.3(4) . . ?
B04X B04P B04R 59.3(3) . . ?
B04X B04P B04S 107.4(4) . . ?
B04X B04P B048 106.7(4) . . ?
B048 B04P H7AA 122.5 . . ?
B048 B04P B04Q 107.3(4) . . ?
B048 B04P B04R 59.4(3) . . ?
B03L B04Q H8AA 120.7 . . ?
B04B B04Q B03L 60.4(3) . . ?
B04B B04Q B04P 108.8(4) . . ?
B04B B04Q H8AA 121.1 . . ?
B04B B04Q B04S 107.8(4) . . ?
B04B B04Q B04X 60.9(3) . . ?
B04P B04Q B03L 109.3(4) . . ?
B04P B04Q H8AA 121.3 . . ?
B04S B04Q B03L 60.2(3) . . ?
B04S B04Q B04P 60.0(4) . . ?
B04S B04Q H8AA 122.5 . . ?
B04S B04Q B04X 106.7(5) . . ?
B04X B04Q B03L 109.0(4) . . ?
B04X B04Q B04P 59.2(4) . . ?
B04X B04Q H8AA 122.0 . . ?
C00I B04R B04H 59.8(3) . . ?
C00I B04R B04P 105.9(4) . . ?
C00I B04R H9AA 123.2 . . ?
C00I B04R B04X 106.6(4) . . ?
C00I B04R B048 58.2(3) . . ?
B04H B04R H9AA 122.1 . . ?
B04P B04R B04H 107.1(5) . . ?
B04P B04R H9AA 122.3 . . ?
B04X B04R B04H 59.6(4) . . ?
B04X B04R B04P 59.7(4) . . ?
B04X B04R H9AA 122.1 . . ?
B04X B04R B048 107.6(4) . . ?
B048 B04R B04H 106.9(4) . . ?
B048 B04R B04P 60.2(3) . . ?
B048 B04R H9AA 122.3 . . ?
B02T B04S B03L 60.9(3) . . ?
B02T B04S B04P 108.8(4) . . ?
B02T B04S B04Q 108.4(4) . . ?
B02T B04S H0BA 121.3 . . ?
B02T B04S B048 60.2(3) . . ?
B03L B04S H0BA 120.5 . . ?
B04P B04S B03L 109.6(4) . . ?
B04P B04S H0BA 121.0 . . ?
B04Q B04S B03L 60.2(3) . . ?
B04Q B04S B04P 60.3(3) . . ?
B04Q B04S H0BA 121.8 . . ?
B048 B04S B03L 109.6(4) . . ?
B048 B04S B04P 60.3(3) . . ?
B048 B04S B04Q 108.3(4) . . ?
B048 B04S H0BA 121.2 . . ?
B04B B04X H1BA 122.0 . . ?
B04H B04X B04B 59.5(3) . . ?
B04H B04X B04Q 107.1(4) . . ?
B04H B04X H1BA 121.6 . . ?
B04P B04X B04B 108.4(4) . . ?
B04P B04X B04H 109.4(4) . . ?
B04P B04X B04Q 60.5(4) . . ?
B04P B04X H1BA 120.8 . . ?
B04Q B04X B04B 59.1(3) . . ?
B04Q B04X H1BA 122.2 . . ?
B04R B04X B04B 109.1(4) . . ?
B04R B04X B04H 61.2(3) . . ?
B04R B04X B04P 61.0(4) . . ?
B04R B04X B04Q 109.1(5) . . ?
B04R B04X H1BA 120.3 . . ?
C00I B048 B02T 60.0(3) . . ?
C00I B048 B04P 107.0(4) . . ?
C00I B048 B04R 59.5(3) . . ?
C00I B048 B04S 106.6(4) . . ?
C00I B048 H048 122.8 . . ?
B02T B048 B04P 108.1(5) . . ?
B02T B048 B04S 59.5(3) . . ?
B02T B048 H048 121.5 . . ?
B04P B048 H048 121.7 . . ?
B04R B048 B02T 108.5(4) . . ?
B04R B048 B04P 60.4(3) . . ?
B04R B048 B04S 108.3(5) . . ?
B04R B048 H048 121.3 . . ?
B04S B048 B04P 60.1(3) . . ?
B04S B048 H048 122.2 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O009 C01C C01O B03Z 96.7(6) . . . . ?
O009 C01C C026 C04O 38.7(8) . . . . ?
O009 C01C C026 C053 -28.0(8) . . . . ?
N001 C00S C00U C00P 75.0(6) . . . . ?
N001 C00S C00U B02Q 5.0(6) . . . . ?
N001 C00S C00U B03R 144.5(4) . . . . ?
N001 C00S C00U B03Z -67.3(6) . . . . ?
N001 C00S C00U B04C -141.7(5) . . . . ?
N001 C00S C022 C02V 0.5(8) . . . . ?
N001 C01V C02A C02V -0.2(9) . . . . ?
C00P C00Q C01T C027 -177.4(4) . . . . ?
C00P C00Q C02K C03D 177.9(5) . . . . ?
C00P C00U B02Q B03V 99.0(4) . . . . ?
C00P C00U B02Q B03Z 139.2(4) . . . . ?
C00P C00U B02Q B035 36.6(3) . . . . ?
C00P C00U B03R B04C -138.5(4) . . . . ?
C00P C00U B03R B032 -36.8(3) . . . . ?
C00P C00U B03R B045 -99.2(4) . . . . ?
C00P C00U B03Z C01O -145.3(4) . . . . ?
C00P C00U B03Z B02Q -37.8(3) . . . . ?
C00P C00U B03Z B03V 1.4(5) . . . . ?
C00P C00U B03Z B04C 103.5(4) . . . . ?
C00P C00U B03Z B04M 63.9(4) . . . . ?
C00P C00U B04C B03R 38.2(4) . . . . ?
C00P C00U B04C B03Z -103.5(4) . . . . ?
C00P C00U B04C B04M -63.3(5) . . . . ?
C00P C00U B04C B045 -0.4(5) . . . . ?
C00P B02Q B03V B03Z 101.7(4) . . . . ?
C00P B02Q B03V B04E 0.5(5) . . . . ?
C00P B02Q B03V B04M 63.4(4) . . . . ?
C00P B02Q B03V B035 -36.8(3) . . . . ?
C00P B02Q B03Z C00U 36.1(3) . . . . ?
C00P B02Q B03Z C01O 143.3(4) . . . . ?
C00P B02Q B03Z B03V -98.3(4) . . . . ?
C00P B02Q B03Z B04C 2.8(5) . . . . ?
C00P B02Q B03Z B04M -59.8(5) . . . . ?
C00P B02Q B035 B03V 137.1(4) . . . . ?
C00P B02Q B035 B04E 99.2(4) . . . . ?
C00P B02Q B035 B032 34.9(3) . . . . ?
C00P B03R B04C C00U -36.1(3) . . . . ?
C00P B03R B04C B03Z -1.5(5) . . . . ?
C00P B03R B04C B04M 62.3(4) . . . . ?
C00P B03R B04C B045 99.2(4) . . . . ?
C00P B03R B032 B04E -98.3(4) . . . . ?
C00P B03R B032 B035 -35.1(4) . . . . ?
C00P B03R B032 B045 -136.0(4) . . . . ?
C00P B03R B045 B04C -99.2(4) . . . . ?
C00P B03R B045 B04E 0.3(5) . . . . ?
C00P B03R B045 B04M -62.7(5) . . . . ?
C00P B03R B045 B032 37.7(4) . . . . ?
C00P B032 B035 B02Q -35.2(3) . . . . ?
C00P B032 B035 B03V -97.9(4) . . . . ?
C00P B032 B035 B04E -135.9(4) . . . . ?
C00P B032 B045 B03R -39.0(4) . . . . ?
C00P B032 B045 B04C -0.4(6) . . . . ?
C00P B032 B045 B04E 99.2(4) . . . . ?
C00P B032 B045 B04M 62.0(5) . . . . ?
C00Q C00P C00U C00S 0.6(6) . . . . ?
C00Q C00P C00U B02Q 108.2(5) . . . . ?
C00Q C00P C00U B03R -106.8(5) . . . . ?
C00Q C00P C00U B03Z 146.4(4) . . . . ?
C00Q C00P C00U B04C -146.1(4) . . . . ?
C00Q C00P B02Q C00U -109.0(4) . . . . ?
C00Q C00P B02Q B03V 151.4(4) . . . . ?
C00Q C00P B02Q B03Z -145.3(4) . . . . ?
C00Q C00P B02Q B035 113.7(4) . . . . ?
C00Q C00P B03R C00U 109.9(4) . . . . ?
C00Q C00P B03R B04C 145.3(4) . . . . ?
C00Q C00P B03R B032 -113.0(4) . . . . ?
C00Q C00P B03R B045 -151.6(4) . . . . ?
C00Q C00P B032 B03R 106.6(5) . . . . ?
C00Q C00P B032 B04E -151.2(4) . . . . ?
C00Q C00P B032 B035 -112.5(5) . . . . ?
C00Q C00P B032 B045 145.6(4) . . . . ?
C00Q C00P B035 B02Q -108.3(5) . . . . ?
C00Q C00P B035 B03V -145.8(4) . . . . ?
C00Q C00P B035 B04E 150.7(4) . . . . ?
C00Q C00P B035 B032 111.2(5) . . . . ?
C00Q C01T C027 C018 0.5(9) . . . . ?
C00Q C02K C03D C018 -1.6(10) . . . . ?
C00S N001 C01V C02A 0.3(8) . . . . ?
C00S C00U B02Q C00P 108.6(4) . . . . ?
C00S C00U B02Q B03V -152.3(4) . . . . ?
C00S C00U B02Q B03Z -112.2(4) . . . . ?
C00S C00U B02Q B035 145.3(4) . . . . ?
C00S C00U B03R C00P -108.4(4) . . . . ?
C00S C00U B03R B04C 113.1(4) . . . . ?
C00S C00U B03R B032 -145.1(4) . . . . ?
C00S C00U B03R B045 152.4(4) . . . . ?
C00S C00U B03Z C01O -0.6(6) . . . . ?
C00S C00U B03Z B02Q 106.9(5) . . . . ?
C00S C00U B03Z B03V 146.1(4) . . . . ?
C00S C00U B03Z B04C -111.8(5) . . . . ?
C00S C00U B03Z B04M -151.4(4) . . . . ?
C00S C00U B04C B03R -107.3(5) . . . . ?
C00S C00U B04C B03Z 111.0(5) . . . . ?
C00S C00U B04C B04M 151.2(4) . . . . ?
C00S C00U B04C B045 -146.0(5) . . . . ?
C00U C00P C00Q C01T -85.5(6) . . . . ?
C00U C00P C00Q C02K 98.4(6) . . . . ?
C00U C00P B02Q B03V -99.5(4) . . . . ?
C00U C00P B02Q B03Z -36.3(3) . . . . ?
C00U C00P B02Q B035 -137.2(4) . . . . ?
C00U C00P B03R B04C 35.4(3) . . . . ?
C00U C00P B03R B032 137.1(4) . . . . ?
C00U C00P B03R B045 98.5(4) . . . . ?
C00U C00P B032 B03R -38.8(4) . . . . ?
C00U C00P B032 B04E 63.4(5) . . . . ?
C00U C00P B032 B035 102.0(4) . . . . ?
C00U C00P B032 B045 0.1(5) . . . . ?
C00U C00P B035 B02Q 38.4(3) . . . . ?
C00U C00P B035 B03V 0.8(5) . . . . ?
C00U C00P B035 B04E -62.7(4) . . . . ?
C00U C00P B035 B032 -102.1(4) . . . . ?
C00U C00S C022 C02V -177.8(5) . . . . ?
C00U B02Q B03V B03Z 39.8(4) . . . . ?
C00U B02Q B03V B04E -61.4(5) . . . . ?
C00U B02Q B03V B04M 1.6(5) . . . . ?
C00U B02Q B03V B035 -98.7(4) . . . . ?
C00U B02Q B03Z C01O 107.2(5) . . . . ?
C00U B02Q B03Z B03V -134.4(4) . . . . ?
C00U B02Q B03Z B04C -33.3(3) . . . . ?
C00U B02Q B03Z B04M -95.9(4) . . . . ?
C00U B02Q B035 C00P -37.2(3) . . . . ?
C00U B02Q B035 B03V 99.9(4) . . . . ?
C00U B02Q B035 B04E 62.0(5) . . . . ?
C00U B02Q B035 B032 -2.3(5) . . . . ?
C00U B03R B04C B03Z 34.7(3) . . . . ?
C00U B03R B04C B04M 98.4(4) . . . . ?
C00U B03R B04C B045 135.4(4) . . . . ?
C00U B03R B032 C00P 37.2(3) . . . . ?
C00U B03R B032 B04E -61.1(5) . . . . ?
C00U B03R B032 B035 2.1(5) . . . . ?
C00U B03R B032 B045 -98.8(4) . . . . ?
C00U B03R B045 B04C -37.8(4) . . . . ?
C00U B03R B045 B04E 61.7(5) . . . . ?
C00U B03R B045 B04M -1.3(5) . . . . ?
C00U B03R B045 B032 99.1(4) . . . . ?
C00U B03Z B04C B03R -34.4(3) . . . . ?
C00U B03Z B04C B04M -134.3(4) . . . . ?
C00U B03Z B04C B045 -97.2(4) . . . . ?
C00U B03Z B04M B03V -98.5(4) . . . . ?
C00U B03Z B04M B04C 38.5(3) . . . . ?
C00U B03Z B04M B04E -62.4(5) . . . . ?
C00U B03Z B04M B045 1.3(5) . . . . ?
C00U B04C B04M B03V -2.0(5) . . . . ?
C00U B04C B04M B03Z -40.1(4) . . . . ?
C00U B04C B04M B04E 61.0(5) . . . . ?
C00U B04C B04M B045 98.8(4) . . . . ?
C00U B04C B045 B03R 38.8(4) . . . . ?
C00U B04C B045 B04E -62.6(5) . . . . ?
C00U B04C B045 B04M -99.9(4) . . . . ?
C00U B04C B045 B032 0.5(6) . . . . ?
C01C C01O B03Z C00U -142.4(4) . . . . ?
C01C C01O B03Z B02Q 150.6(4) . . . . ?
C01C C01O B03Z B03V 79.4(6) . . . . ?
C01C C01O B03Z B04C -75.1(6) . . . . ?
C01C C01O B03Z B04M -0.3(8) . . . . ?
C01C C026 C053 C04O 105.1(6) . . . . ?
C01O C01C C026 C04O -142.9(6) . . . . ?
C01O C01C C026 C053 150.5(6) . . . . ?
C01O B03Z B04C C00U -105.3(5) . . . . ?
C01O B03Z B04C B03R -139.8(5) . . . . ?
C01O B03Z B04C B04M 120.4(5) . . . . ?
C01O B03Z B04C B045 157.5(4) . . . . ?
C01O B03Z B04M B03V 115.4(6) . . . . ?
C01O B03Z B04M B04C -107.6(6) . . . . ?
C01O B03Z B04M B04E 151.6(5) . . . . ?
C01O B03Z B04M B045 -144.8(5) . . . . ?
C01T C00Q C02K C03D 1.6(8) . . . . ?
C01V N001 C00S C00U 177.9(4) . . . . ?
C01V N001 C00S C022 -0.5(8) . . . . ?
C01V C02A C02V C022 0.2(9) . . . . ?
C02A C02V C022 C00S -0.3(9) . . . . ?
C02K C00Q C01T C027 -1.0(7) . . . . ?
C02K C03D C018 C027 1.0(9) . . . . ?
C02K C03D C018 C041 179.1(5) . . . . ?
C03D C018 C027 C01T -0.4(9) . . . . ?
C022 C00S C00U C00P -106.6(5) . . . . ?
C022 C00S C00U B02Q -176.7(5) . . . . ?
C022 C00S C00U B03R -37.1(6) . . . . ?
C022 C00S C00U B03Z 111.1(5) . . . . ?
C022 C00S C00U B04C 36.7(7) . . . . ?
C026 C01C C01O B03Z -81.7(6) . . . . ?
C041 C018 C027 C01T -178.6(5) . . . . ?
C053 C04O C026 C01C -107.8(6) . . . . ?
B02Q C00P C00Q C01T -16.1(6) . . . . ?
B02Q C00P C00Q C02K 167.8(4) . . . . ?
B02Q C00P C00U C00S -107.5(5) . . . . ?
B02Q C00P C00U B03R 145.0(4) . . . . ?
B02Q C00P C00U B03Z 38.2(3) . . . . ?
B02Q C00P C00U B04C 105.7(4) . . . . ?
B02Q C00P B03R C00U -32.1(3) . . . . ?
B02Q C00P B03R B04C 3.3(5) . . . . ?
B02Q C00P B03R B032 105.0(4) . . . . ?
B02Q C00P B03R B045 66.4(5) . . . . ?
B02Q C00P B032 B03R -103.1(4) . . . . ?
B02Q C00P B032 B04E -0.9(5) . . . . ?
B02Q C00P B032 B035 37.8(4) . . . . ?
B02Q C00P B032 B045 -64.1(5) . . . . ?
B02Q C00P B035 B03V -37.5(3) . . . . ?
B02Q C00P B035 B04E -101.0(4) . . . . ?
B02Q C00P B035 B032 -140.4(4) . . . . ?
B02Q C00U B03R C00P 33.0(4) . . . . ?
B02Q C00U B03R B04C -105.5(4) . . . . ?
B02Q C00U B03R B032 -3.8(5) . . . . ?
B02Q C00U B03R B045 -66.2(5) . . . . ?
B02Q C00U B03Z C01O -107.5(5) . . . . ?
B02Q C00U B03Z B03V 39.2(4) . . . . ?
B02Q C00U B03Z B04C 141.3(4) . . . . ?
B02Q C00U B03Z B04M 101.7(4) . . . . ?
B02Q C00U B04C B03R 104.7(4) . . . . ?
B02Q C00U B04C B03Z -37.0(4) . . . . ?
B02Q C00U B04C B04M 3.2(5) . . . . ?
B02Q C00U B04C B045 66.1(5) . . . . ?
B02Q B03V B03Z C00U -38.8(4) . . . . ?
B02Q B03V B03Z C01O 103.9(6) . . . . ?
B02Q B03V B03Z B04C -98.7(4) . . . . ?
B02Q B03V B03Z B04M -136.8(4) . . . . ?
B02Q B03V B04E B04M 100.1(4) . . . . ?
B02Q B03V B04E B032 -1.0(5) . . . . ?
B02Q B03V B04E B035 -38.1(4) . . . . ?
B02Q B03V B04E B045 62.1(5) . . . . ?
B02Q B03V B04M B03Z 38.6(4) . . . . ?
B02Q B03V B04M B04C 0.3(5) . . . . ?
B02Q B03V B04M B04E -101.0(4) . . . . ?
B02Q B03V B04M B045 -63.5(5) . . . . ?
B02Q B03V B035 C00P 37.7(3) . . . . ?
B02Q B03V B035 B04E 137.8(4) . . . . ?
B02Q B03V B035 B032 99.7(4) . . . . ?
B02Q B03Z B04C C00U 33.6(3) . . . . ?
B02Q B03Z B04C B03R -0.8(5) . . . . ?
B02Q B03Z B04C B04M -100.6(4) . . . . ?
B02Q B03Z B04C B045 -63.6(5) . . . . ?
B02Q B03Z B04M B03V -37.9(4) . . . . ?
B02Q B03Z B04M B04C 99.1(4) . . . . ?
B02Q B03Z B04M B04E -1.8(6) . . . . ?
B02Q B03Z B04M B045 61.9(5) . . . . ?
B03R C00P C00Q C01T -155.2(4) . . . . ?
B03R C00P C00Q C02K 28.7(6) . . . . ?
B03R C00P C00U C00S 107.5(5) . . . . ?
B03R C00P C00U B02Q -145.0(4) . . . . ?
B03R C00P C00U B03Z -106.8(4) . . . . ?
B03R C00P C00U B04C -39.3(4) . . . . ?
B03R C00P B02Q C00U 32.4(3) . . . . ?
B03R C00P B02Q B03V -67.1(4) . . . . ?
B03R C00P B02Q B03Z -3.9(5) . . . . ?
B03R C00P B02Q B035 -104.8(4) . . . . ?
B03R C00P B032 B04E 102.2(4) . . . . ?
B03R C00P B032 B035 140.8(4) . . . . ?
B03R C00P B032 B045 39.0(4) . . . . ?
B03R C00P B035 B02Q 103.4(4) . . . . ?
B03R C00P B035 B03V 65.9(5) . . . . ?
B03R C00P B035 B04E 2.4(5) . . . . ?
B03R C00P B035 B032 -37.0(4) . . . . ?
B03R C00U B02Q C00P -32.8(4) . . . . ?
B03R C00U B02Q B03V 66.2(5) . . . . ?
B03R C00U B02Q B03Z 106.4(4) . . . . ?
B03R C00U B02Q B035 3.9(5) . . . . ?
B03R C00U B03Z C01O 148.6(4) . . . . ?
B03R C00U B03Z B02Q -104.0(4) . . . . ?
B03R C00U B03Z B03V -64.7(5) . . . . ?
B03R C00U B03Z B04C 37.3(4) . . . . ?
B03R C00U B03Z B04M -2.2(5) . . . . ?
B03R C00U B04C B03Z -141.7(4) . . . . ?
B03R C00U B04C B04M -101.5(4) . . . . ?
B03R C00U B04C B045 -38.6(4) . . . . ?
B03R B04C B04M B03V -64.4(5) . . . . ?
B03R B04C B04M B03Z -102.5(4) . . . . ?
B03R B04C B04M B04E -1.3(5) . . . . ?
B03R B04C B04M B045 36.4(4) . . . . ?
B03R B04C B045 B04E -101.5(4) . . . . ?
B03R B04C B045 B04M -138.7(4) . . . . ?
B03R B04C B045 B032 -38.3(4) . . . . ?
B03R B032 B035 C00P 35.3(4) . . . . ?
B03R B032 B035 B02Q 0.1(5) . . . . ?
B03R B032 B035 B03V -62.6(5) . . . . ?
B03R B032 B035 B04E -100.6(4) . . . . ?
B03R B032 B045 B04C 38.6(4) . . . . ?
B03R B032 B045 B04E 138.1(4) . . . . ?
B03R B032 B045 B04M 100.9(4) . . . . ?
B03V B02Q B03Z C00U 134.4(4) . . . . ?
B03V B02Q B03Z C01O -118.3(5) . . . . ?
B03V B02Q B03Z B04C 101.1(4) . . . . ?
B03V B02Q B03Z B04M 38.5(4) . . . . ?
B03V B02Q B035 C00P -137.1(4) . . . . ?
B03V B02Q B035 B04E -37.8(4) . . . . ?
B03V B02Q B035 B032 -102.2(4) . . . . ?
B03V B03Z B04C C00U 95.8(4) . . . . ?
B03V B03Z B04C B03R 61.3(5) . . . . ?
B03V B03Z B04C B04M -38.5(4) . . . . ?
B03V B03Z B04C B045 -1.4(5) . . . . ?
B03V B03Z B04M B04C 137.0(4) . . . . ?
B03V B03Z B04M B04E 36.2(4) . . . . ?
B03V B03Z B04M B045 99.8(4) . . . . ?
B03V B04E B04M B03Z -36.2(4) . . . . ?
B03V B04E B04M B04C -99.9(4) . . . . ?
B03V B04E B04M B045 -137.9(4) . . . . ?
B03V B04E B032 C00P 1.1(5) . . . . ?
B03V B04E B032 B03R 64.2(5) . . . . ?
B03V B04E B032 B035 -37.5(4) . . . . ?
B03V B04E B032 B045 101.7(4) . . . . ?
B03V B04E B035 C00P 99.7(4) . . . . ?
B03V B04E B035 B02Q 37.2(4) . . . . ?
B03V B04E B035 B032 138.2(4) . . . . ?
B03V B04E B045 B03R -62.7(5) . . . . ?
B03V B04E B045 B04C 1.0(5) . . . . ?
B03V B04E B045 B04M 38.0(4) . . . . ?
B03V B04E B045 B032 -100.1(4) . . . . ?
B03V B04M B045 B03R 63.3(5) . . . . ?
B03V B04M B045 B04C 100.4(4) . . . . ?
B03V B04M B045 B04E -37.4(4) . . . . ?
B03V B04M B045 B032 0.0(5) . . . . ?
B03Z C00U B02Q C00P -139.2(4) . . . . ?
B03Z C00U B02Q B03V -40.2(4) . . . . ?
B03Z C00U B02Q B035 -102.6(4) . . . . ?
B03Z C00U B03R C00P 101.4(4) . . . . ?
B03Z C00U B03R B04C -37.1(4) . . . . ?
B03Z C00U B03R B032 64.6(5) . . . . ?
B03Z C00U B03R B045 2.2(5) . . . . ?
B03Z C00U B04C B03R 141.7(4) . . . . ?
B03Z C00U B04C B04M 40.2(4) . . . . ?
B03Z C00U B04C B045 103.1(4) . . . . ?
B03Z B02Q B03V B04E -101.2(4) . . . . ?
B03Z B02Q B03V B04M -38.3(4) . . . . ?
B03Z B02Q B03V B035 -138.5(4) . . . . ?
B03Z B02Q B035 C00P -99.8(4) . . . . ?
B03Z B02Q B035 B03V 37.3(4) . . . . ?
B03Z B02Q B035 B04E -0.5(5) . . . . ?
B03Z B02Q B035 B032 -64.9(5) . . . . ?
B03Z B03V B04E B04M 36.1(4) . . . . ?
B03Z B03V B04E B032 -64.9(5) . . . . ?
B03Z B03V B04E B035 -102.0(4) . . . . ?
B03Z B03V B04E B045 -1.8(5) . . . . ?
B03Z B03V B04M B04C -38.3(4) . . . . ?
B03Z B03V B04M B04E -139.6(4) . . . . ?
B03Z B03V B04M B045 -102.1(4) . . . . ?
B03Z B03V B035 C00P 0.1(5) . . . . ?
B03Z B03V B035 B02Q -37.6(4) . . . . ?
B03Z B03V B035 B04E 100.2(4) . . . . ?
B03Z B03V B035 B032 62.1(5) . . . . ?
B03Z B04C B04M B03V 38.1(4) . . . . ?
B03Z B04C B04M B04E 101.2(4) . . . . ?
B03Z B04C B04M B045 138.9(4) . . . . ?
B03Z B04C B045 B03R 101.8(4) . . . . ?
B03Z B04C B045 B04E 0.3(5) . . . . ?
B03Z B04C B045 B04M -37.0(4) . . . . ?
B03Z B04C B045 B032 63.4(5) . . . . ?
B03Z B04M B045 B03R 0.0(5) . . . . ?
B03Z B04M B045 B04C 37.1(4) . . . . ?
B03Z B04M B045 B04E -100.7(4) . . . . ?
B03Z B04M B045 B032 -63.3(5) . . . . ?
B04C C00U B02Q C00P -102.1(4) . . . . ?
B04C C00U B02Q B03V -3.1(5) . . . . ?
B04C C00U B02Q B03Z 37.1(4) . . . . ?
B04C C00U B02Q B035 -65.5(5) . . . . ?
B04C C00U B03R C00P 138.5(4) . . . . ?
B04C C00U B03R B032 101.7(4) . . . . ?
B04C C00U B03R B045 39.3(4) . . . . ?
B04C C00U B03Z C01O 111.2(5) . . . . ?
B04C C00U B03Z B02Q -141.3(4) . . . . ?
B04C C00U B03Z B03V -102.1(4) . . . . ?
B04C C00U B03Z B04M -39.5(4) . . . . ?
B04C B03R B032 C00P 97.3(4) . . . . ?
B04C B03R B032 B04E -1.0(5) . . . . ?
B04C B03R B032 B035 62.2(5) . . . . ?
B04C B03R B032 B045 -38.7(4) . . . . ?
B04C B03R B045 B04E 99.5(5) . . . . ?
B04C B03R B045 B04M 36.5(4) . . . . ?
B04C B03R B045 B032 136.9(4) . . . . ?
B04C B03Z B04M B03V -137.0(4) . . . . ?
B04C B03Z B04M B04E -100.8(5) . . . . ?
B04C B03Z B04M B045 -37.2(4) . . . . ?
B04C B04M B045 B03R -37.1(4) . . . . ?
B04C B04M B045 B04E -137.8(4) . . . . ?
B04C B04M B045 B032 -100.4(4) . . . . ?
B04E B03V B03Z C00U 62.0(5) . . . . ?
B04E B03V B03Z C01O -155.4(5) . . . . ?
B04E B03V B03Z B02Q 100.7(4) . . . . ?
B04E B03V B03Z B04C 2.0(5) . . . . ?
B04E B03V B03Z B04M -36.1(4) . . . . ?
B04E B03V B04M B03Z 139.6(4) . . . . ?
B04E B03V B04M B04C 101.3(4) . . . . ?
B04E B03V B04M B045 37.5(4) . . . . ?
B04E B03V B035 C00P -100.1(4) . . . . ?
B04E B03V B035 B02Q -137.8(4) . . . . ?
B04E B03V B035 B032 -38.2(4) . . . . ?
B04E B04M B045 B03R 100.7(4) . . . . ?
B04E B04M B045 B04C 137.8(4) . . . . ?
B04E B04M B045 B032 37.4(4) . . . . ?
B04E B032 B035 C00P 135.9(4) . . . . ?
B04E B032 B035 B02Q 100.7(4) . . . . ?
B04E B032 B035 B03V 38.0(4) . . . . ?
B04E B032 B045 B03R -138.1(4) . . . . ?
B04E B032 B045 B04C -99.6(5) . . . . ?
B04E B032 B045 B04M -37.2(4) . . . . ?
B04M B03V B03Z C00U 98.1(4) . . . . ?
B04M B03V B03Z C01O -119.3(6) . . . . ?
B04M B03V B03Z B02Q 136.8(4) . . . . ?
B04M B03V B03Z B04C 38.1(4) . . . . ?
B04M B03V B04E B032 -101.1(4) . . . . ?
B04M B03V B04E B035 -138.2(4) . . . . ?
B04M B03V B04E B045 -38.0(4) . . . . ?
B04M B03V B035 C00P -63.1(4) . . . . ?
B04M B03V B035 B02Q -100.8(4) . . . . ?
B04M B03V B035 B04E 37.0(4) . . . . ?
B04M B03V B035 B032 -1.1(5) . . . . ?
B04M B03Z B04C C00U 134.3(4) . . . . ?
B04M B03Z B04C B03R 99.8(4) . . . . ?
B04M B03Z B04C B045 37.1(4) . . . . ?
B04M B04C B045 B03R 138.7(4) . . . . ?
B04M B04C B045 B04E 37.3(4) . . . . ?
B04M B04C B045 B032 100.4(5) . . . . ?
B04M B04E B032 C00P -62.9(5) . . . . ?
B04M B04E B032 B03R 0.2(5) . . . . ?
B04M B04E B032 B035 -101.5(4) . . . . ?
B04M B04E B032 B045 37.7(4) . . . . ?
B04M B04E B035 C00P 62.0(5) . . . . ?
B04M B04E B035 B02Q -0.6(6) . . . . ?
B04M B04E B035 B03V -37.8(4) . . . . ?
B04M B04E B035 B032 100.4(5) . . . . ?
B04M B04E B045 B03R -100.7(4) . . . . ?
B04M B04E B045 B04C -37.1(4) . . . . ?
B04M B04E B045 B032 -138.1(4) . . . . ?
B032 C00P C00Q C01T 132.4(5) . . . . ?
B032 C00P C00Q C02K -43.7(7) . . . . ?
B032 C00P C00U C00S 147.0(4) . . . . ?
B032 C00P C00U B02Q -105.5(4) . . . . ?
B032 C00P C00U B03R 39.5(4) . . . . ?
B032 C00P C00U B03Z -67.3(5) . . . . ?
B032 C00P C00U B04C 0.2(5) . . . . ?
B032 C00P B02Q C00U 99.8(4) . . . . ?
B032 C00P B02Q B03V 0.3(5) . . . . ?
B032 C00P B02Q B03Z 63.5(5) . . . . ?
B032 C00P B02Q B035 -37.4(4) . . . . ?
B032 C00P B03R C00U -137.1(4) . . . . ?
B032 C00P B03R B04C -101.7(4) . . . . ?
B032 C00P B03R B045 -38.6(4) . . . . ?
B032 C00P B035 B02Q 140.4(4) . . . . ?
B032 C00P B035 B03V 102.9(4) . . . . ?
B032 C00P B035 B04E 39.4(4) . . . . ?
B032 B03R B04C C00U -96.9(4) . . . . ?
B032 B03R B04C B03Z -62.2(5) . . . . ?
B032 B03R B04C B04M 1.5(5) . . . . ?
B032 B03R B04C B045 38.5(4) . . . . ?
B032 B03R B045 B04C -136.9(4) . . . . ?
B032 B03R B045 B04E -37.4(4) . . . . ?
B032 B03R B045 B04M -100.4(5) . . . . ?
B032 B04E B04M B03V 100.6(4) . . . . ?
B032 B04E B04M B03Z 64.5(5) . . . . ?
B032 B04E B04M B04C 0.7(5) . . . . ?
B032 B04E B04M B045 -37.3(4) . . . . ?
B032 B04E B035 C00P -38.4(4) . . . . ?
B032 B04E B035 B02Q -100.9(4) . . . . ?
B032 B04E B035 B03V -138.2(4) . . . . ?
B032 B04E B045 B03R 37.4(4) . . . . ?
B032 B04E B045 B04C 101.0(4) . . . . ?
B032 B04E B045 B04M 138.1(4) . . . . ?
B035 C00P C00Q C01T 58.0(6) . . . . ?
B035 C00P C00Q C02K -118.1(5) . . . . ?
B035 C00P C00U C00S -147.2(4) . . . . ?
B035 C00P C00U B02Q -39.7(4) . . . . ?
B035 C00P C00U B03R 105.3(4) . . . . ?
B035 C00P C00U B03Z -1.4(5) . . . . ?
B035 C00P C00U B04C 66.0(5) . . . . ?
B035 C00P B02Q C00U 137.2(4) . . . . ?
B035 C00P B02Q B03V 37.7(3) . . . . ?
B035 C00P B02Q B03Z 100.9(4) . . . . ?
B035 C00P B03R C00U -100.1(4) . . . . ?
B035 C00P B03R B04C -64.7(4) . . . . ?
B035 C00P B03R B032 37.0(4) . . . . ?
B035 C00P B03R B045 -1.7(5) . . . . ?
B035 C00P B032 B03R -140.8(4) . . . . ?
B035 C00P B032 B04E -38.6(4) . . . . ?
B035 C00P B032 B045 -101.9(5) . . . . ?
B035 B02Q B03V B03Z 138.5(4) . . . . ?
B035 B02Q B03V B04E 37.3(4) . . . . ?
B035 B02Q B03V B04M 100.2(4) . . . . ?
B035 B02Q B03Z C00U 97.3(4) . . . . ?
B035 B02Q B03Z C01O -155.4(4) . . . . ?
B035 B02Q B03Z B03V -37.1(4) . . . . ?
B035 B02Q B03Z B04C 64.0(5) . . . . ?
B035 B02Q B03Z B04M 1.4(5) . . . . ?
B035 B03V B03Z C00U -0.9(5) . . . . ?
B035 B03V B03Z C01O 141.8(5) . . . . ?
B035 B03V B03Z B02Q 37.9(4) . . . . ?
B035 B03V B03Z B04C -60.8(5) . . . . ?
B035 B03V B03Z B04M -99.0(4) . . . . ?
B035 B03V B04E B04M 138.2(4) . . . . ?
B035 B03V B04E B032 37.1(4) . . . . ?
B035 B03V B04E B045 100.2(4) . . . . ?
B035 B03V B04M B03Z 102.8(4) . . . . ?
B035 B03V B04M B04C 64.5(5) . . . . ?
B035 B03V B04M B04E -36.8(4) . . . . ?
B035 B03V B04M B045 0.7(5) . . . . ?
B035 B04E B04M B03V 37.6(4) . . . . ?
B035 B04E B04M B03Z 1.5(6) . . . . ?
B035 B04E B04M B04C -62.3(5) . . . . ?
B035 B04E B04M B045 -100.3(5) . . . . ?
B035 B04E B032 C00P 38.6(3) . . . . ?
B035 B04E B032 B03R 101.6(4) . . . . ?
B035 B04E B032 B045 139.1(4) . . . . ?
B035 B04E B045 B03R 1.1(6) . . . . ?
B035 B04E B045 B04C 64.7(5) . . . . ?
B035 B04E B045 B04M 101.8(4) . . . . ?
B035 B04E B045 B032 -36.3(4) . . . . ?
B035 B032 B045 B03R -101.7(4) . . . . ?
B035 B032 B045 B04C -63.1(5) . . . . ?
B035 B032 B045 B04E 36.5(4) . . . . ?
B035 B032 B045 B04M -0.7(5) . . . . ?
B045 B03R B04C C00U -135.4(4) . . . . ?
B045 B03R B04C B03Z -100.7(5) . . . . ?
B045 B03R B04C B04M -37.0(4) . . . . ?
B045 B03R B032 C00P 136.0(4) . . . . ?
B045 B03R B032 B04E 37.7(4) . . . . ?
B045 B03R B032 B035 100.9(5) . . . . ?
B045 B04C B04M B03V -100.8(4) . . . . ?
B045 B04C B04M B03Z -138.9(4) . . . . ?
B045 B04C B04M B04E -37.8(4) . . . . ?
B045 B04E B04M B03V 137.9(4) . . . . ?
B045 B04E B04M B03Z 101.8(5) . . . . ?
B045 B04E B04M B04C 38.0(4) . . . . ?
B045 B04E B032 C00P -100.6(4) . . . . ?
B045 B04E B032 B03R -37.5(4) . . . . ?
B045 B04E B032 B035 -139.1(4) . . . . ?
B045 B04E B035 C00P -2.1(5) . . . . ?
B045 B04E B035 B02Q -64.6(5) . . . . ?
B045 B04E B035 B03V -101.8(4) . . . . ?
B045 B04E B035 B032 36.3(4) . . . . ?
B045 B032 B035 C00P 99.1(4) . . . . ?
B045 B032 B035 B02Q 63.9(5) . . . . ?
B045 B032 B035 B03V 1.2(5) . . . . ?
B045 B032 B035 B04E -36.8(4) . . . . ?
O01B C025 C037 C04I -33.7(10) . . . . ?
O01B C025 C037 C055 32.2(10) . . . . ?
N004 C00X C02W C03H 0.6(9) . . . . ?
N004 C00X C014 C00R -68.5(5) . . . . ?
N004 C00X C014 B03S -0.1(6) . . . . ?
N004 C00X C014 B03Y 74.0(6) . . . . ?
N004 C00X C014 B04A -137.1(5) . . . . ?
N004 C00X C014 B050 150.0(5) . . . . ?
N004 C01Z C029 C03H -2.1(9) . . . . ?
C00N C00R C014 C00X -1.0(6) . . . . ?
C00N C00R C014 B03S -109.0(5) . . . . ?
C00N C00R C014 B03Y -147.6(4) . . . . ?
C00N C00R C014 B04A 106.8(5) . . . . ?
C00N C00R C014 B050 145.3(4) . . . . ?
C00N C00R B03S C014 108.0(5) . . . . ?
C00N C00R B03S B03Y 144.1(4) . . . . ?
C00N C00R B03S B04J -113.9(5) . . . . ?
C00N C00R B03S B04N -153.1(4) . . . . ?
C00N C00R B04A C014 -109.3(4) . . . . ?
C00N C00R B04A B04W 113.1(5) . . . . ?
C00N C00R B04A B04Z 152.3(4) . . . . ?
C00N C00R B04A B050 -144.7(4) . . . . ?
C00N C00R B04J B03S 109.1(5) . . . . ?
C00N C00R B04J B04N 147.6(4) . . . . ?
C00N C00R B04J B04T -150.5(4) . . . . ?
C00N C00R B04J B04W -111.9(5) . . . . ?
C00N C00R B04W B04A -105.8(5) . . . . ?
C00N C00R B04W B04J 112.9(5) . . . . ?
C00N C00R B04W B04T 151.7(5) . . . . ?
C00N C00R B04W B04Z -144.2(5) . . . . ?
C00N C02Z C036 C02E -0.2(10) . . . . ?
C00N C010 C021 C02E -2.0(8) . . . . ?
C00R C00N C02Z C036 -176.1(5) . . . . ?
C00R C00N C010 C021 177.3(4) . . . . ?
C00R C014 B03S B03Y -139.2(4) . . . . ?
C00R C014 B03S B04J -36.3(4) . . . . ?
C00R C014 B03S B04N -99.5(4) . . . . ?
C00R C014 B03Y C02C 145.0(5) . . . . ?
C00R C014 B03Y B03S 37.4(4) . . . . ?
C00R C014 B03Y B04N -1.8(5) . . . . ?
C00R C014 B03Y B050 -102.2(4) . . . . ?
C00R C014 B03Y B052 -63.1(5) . . . . ?
C00R C014 B04A B04W 36.9(4) . . . . ?
C00R C014 B04A B04Z 100.0(5) . . . . ?
C00R C014 B04A B050 138.5(4) . . . . ?
C00R C014 B050 B03Y 103.9(4) . . . . ?
C00R C014 B050 B04A -37.7(4) . . . . ?
C00R C014 B050 B04Z 0.1(5) . . . . ?
C00R C014 B050 B052 63.7(5) . . . . ?
C00R B03S B03Y C02C -144.6(5) . . . . ?
C00R B03S B03Y C014 -36.7(3) . . . . ?
C00R B03S B03Y B04N 97.8(4) . . . . ?
C00R B03S B03Y B050 -2.1(5) . . . . ?
C00R B03S B03Y B052 59.9(5) . . . . ?
C00R B03S B04J B04N -135.6(4) . . . . ?
C00R B03S B04J B04T -98.6(5) . . . . ?
C00R B03S B04J B04W -36.2(4) . . . . ?
C00R B03S B04N B03Y -102.1(4) . . . . ?
C00R B03S B04N B04J 37.9(4) . . . . ?
C00R B03S B04N B04T 0.8(6) . . . . ?
C00R B03S B04N B052 -63.3(5) . . . . ?
C00R B04A B04W B04J 34.2(4) . . . . ?
C00R B04A B04W B04T 97.7(4) . . . . ?
C00R B04A B04W B04Z 135.8(4) . . . . ?
C00R B04A B04Z B04T -1.4(6) . . . . ?
C00R B04A B04Z B04W -38.4(4) . . . . ?
C00R B04A B04Z B050 99.1(4) . . . . ?
C00R B04A B04Z B052 62.1(6) . . . . ?
C00R B04A B050 C014 36.3(4) . . . . ?
C00R B04A B050 B03Y 1.5(6) . . . . ?
C00R B04A B050 B04Z -100.0(5) . . . . ?
C00R B04A B050 B052 -62.9(5) . . . . ?
C00R B04J B04N B03S -38.5(4) . . . . ?
C00R B04J B04N B03Y -1.9(5) . . . . ?
C00R B04J B04N B04T 99.5(5) . . . . ?
C00R B04J B04N B052 62.3(5) . . . . ?
C00R B04J B04T B04N -98.7(4) . . . . ?
C00R B04J B04T B04W 38.5(4) . . . . ?
C00R B04J B04T B04Z 1.4(6) . . . . ?
C00R B04J B04T B052 -61.7(5) . . . . ?
C00R B04J B04W B04A -34.9(4) . . . . ?
C00R B04J B04W B04T -135.8(5) . . . . ?
C00R B04J B04W B04Z -97.4(5) . . . . ?
C00R B04W B04Z B04A 39.0(4) . . . . ?
C00R B04W B04Z B04T -99.2(5) . . . . ?
C00R B04W B04Z B050 0.2(6) . . . . ?
C00R B04W B04Z B052 -63.1(6) . . . . ?
C00X N004 C01Z C029 1.8(8) . . . . ?
C00X C02W C03H C029 -0.9(9) . . . . ?
C00X C014 B03S C00R -106.4(5) . . . . ?
C00X C014 B03S B03Y 114.4(5) . . . . ?
C00X C014 B03S B04J -142.7(4) . . . . ?
C00X C014 B03S B04N 154.1(4) . . . . ?
C00X C014 B03Y C02C 0.7(8) . . . . ?
C00X C014 B03Y B03S -106.9(5) . . . . ?
C00X C014 B03Y B04N -146.1(5) . . . . ?
C00X C014 B03Y B050 113.4(6) . . . . ?
C00X C014 B03Y B052 152.5(5) . . . . ?
C00X C014 B04A C00R 106.5(5) . . . . ?
C00X C014 B04A B04W 143.5(5) . . . . ?
C00X C014 B04A B04Z -153.4(5) . . . . ?
C00X C014 B04A B050 -114.9(5) . . . . ?
C00X C014 B050 B03Y -112.4(5) . . . . ?
C00X C014 B050 B04A 106.0(5) . . . . ?
C00X C014 B050 B04Z 143.8(5) . . . . ?
C00X C014 B050 B052 -152.7(4) . . . . ?
C01Z N004 C00X C02W -1.0(8) . . . . ?
C01Z N004 C00X C014 179.7(4) . . . . ?
C02C C025 C037 C04I 148.4(6) . . . . ?
C02C C025 C037 C055 -145.7(6) . . . . ?
C02C B03Y B04N B03S -104.7(6) . . . . ?
C02C B03Y B04N B04J -141.1(5) . . . . ?
C02C B03Y B04N B04T 155.4(5) . . . . ?
C02C B03Y B04N B052 118.6(6) . . . . ?
C02C B03Y B050 C014 105.7(5) . . . . ?
C02C B03Y B050 B04A 140.9(5) . . . . ?
C02C B03Y B050 B04Z -156.5(5) . . . . ?
C02C B03Y B050 B052 -119.6(6) . . . . ?
C02C B03Y B052 B04N -114.1(7) . . . . ?
C02C B03Y B052 B04T -150.3(6) . . . . ?
C02C B03Y B052 B04Z 145.5(6) . . . . ?
C02C B03Y B052 B050 109.3(7) . . . . ?
C02W C00X C014 C00R 112.2(5) . . . . ?
C02W C00X C014 B03S -179.3(5) . . . . ?
C02W C00X C014 B03Y -105.3(6) . . . . ?
C02W C00X C014 B04A 43.6(7) . . . . ?
C02W C00X C014 B050 -29.3(7) . . . . ?
C02W C03H C029 C01Z 1.6(10) . . . . ?
C02Z C00N C00R C014 -93.7(6) . . . . ?
C02Z C00N C00R B03S -162.8(5) . . . . ?
C02Z C00N C00R B04A -24.3(7) . . . . ?
C02Z C00N C00R B04J 122.3(6) . . . . ?
C02Z C00N C00R B04W 46.9(7) . . . . ?
C02Z C00N C010 C021 2.1(7) . . . . ?
C010 C00N C00R C014 91.4(5) . . . . ?
C010 C00N C00R B03S 22.3(7) . . . . ?
C010 C00N C00R B04A 160.8(4) . . . . ?
C010 C00N C00R B04J -52.6(6) . . . . ?
C010 C00N C00R B04W -128.0(5) . . . . ?
C010 C00N C02Z C036 -1.0(9) . . . . ?
C014 C00R B03S B03Y 36.0(3) . . . . ?
C014 C00R B03S B04J 138.0(4) . . . . ?
C014 C00R B03S B04N 98.9(4) . . . . ?
C014 C00R B04A B04W -137.6(4) . . . . ?
C014 C00R B04A B04Z -98.4(4) . . . . ?
C014 C00R B04A B050 -35.4(4) . . . . ?
C014 C00R B04J B03S -37.7(4) . . . . ?
C014 C00R B04J B04N 0.8(5) . . . . ?
C014 C00R B04J B04T 62.7(5) . . . . ?
C014 C00R B04J B04W 101.3(4) . . . . ?
C014 C00R B04W B04A 38.2(4) . . . . ?
C014 C00R B04W B04J -103.1(4) . . . . ?
C014 C00R B04W B04T -64.3(5) . . . . ?
C014 C00R B04W B04Z -0.2(5) . . . . ?
C014 C00X C02W C03H 179.8(5) . . . . ?
C014 B03S B03Y C02C -107.9(5) . . . . ?
C014 B03S B03Y B04N 134.5(4) . . . . ?
C014 B03S B03Y B050 34.7(4) . . . . ?
C014 B03S B03Y B052 96.6(4) . . . . ?
C014 B03S B04J C00R 37.4(4) . . . . ?
C014 B03S B04J B04N -98.3(4) . . . . ?
C014 B03S B04J B04T -61.2(5) . . . . ?
C014 B03S B04J B04W 1.2(5) . . . . ?
C014 B03S B04N B03Y -39.2(4) . . . . ?
C014 B03S B04N B04J 100.8(4) . . . . ?
C014 B03S B04N B04T 63.7(5) . . . . ?
C014 B03S B04N B052 -0.4(5) . . . . ?
C014 B03Y B04N B03S 38.6(4) . . . . ?
C014 B03Y B04N B04J 2.2(5) . . . . ?
C014 B03Y B04N B04T -61.2(5) . . . . ?
C014 B03Y B04N B052 -98.0(4) . . . . ?
C014 B03Y B050 B04A 35.1(4) . . . . ?
C014 B03Y B050 B04Z 97.7(5) . . . . ?
C014 B03Y B050 B052 134.6(5) . . . . ?
C014 B03Y B052 B04N 98.2(5) . . . . ?
C014 B03Y B052 B04T 62.0(6) . . . . ?
C014 B03Y B052 B04Z -2.2(6) . . . . ?
C014 B03Y B052 B050 -38.3(4) . . . . ?
C014 B04A B04W C00R -37.2(4) . . . . ?
C014 B04A B04W B04J -3.0(6) . . . . ?
C014 B04A B04W B04T 60.5(5) . . . . ?
C014 B04A B04W B04Z 98.6(4) . . . . ?
C014 B04A B04Z B04T -63.4(5) . . . . ?
C014 B04A B04Z B04W -100.4(4) . . . . ?
C014 B04A B04Z B050 37.1(4) . . . . ?
C014 B04A B04Z B052 0.2(6) . . . . ?
C014 B04A B050 B03Y -34.8(4) . . . . ?
C014 B04A B050 B04Z -136.3(5) . . . . ?
C014 B04A B050 B052 -99.2(4) . . . . ?
C014 B050 B052 B03Y 39.9(4) . . . . ?
C014 B050 B052 B04N 1.1(6) . . . . ?
C014 B050 B052 B04T -61.9(5) . . . . ?
C014 B050 B052 B04Z -99.7(5) . . . . ?
C021 C02E C036 C02Z 0.4(10) . . . . ?
C025 C02C B03Y C014 143.9(5) . . . . ?
C025 C02C B03Y B03S -148.8(5) . . . . ?
C025 C02C B03Y B04N -77.5(7) . . . . ?
C025 C02C B03Y B050 75.5(7) . . . . ?
C025 C02C B03Y B052 0.2(9) . . . . ?
C025 C037 C055 C04I -106.9(7) . . . . ?
C036 C02E C021 C010 0.7(8) . . . . ?
C046 C02E C021 C010 -179.3(5) . . . . ?
C046 C02E C036 C02Z -179.6(6) . . . . ?
C055 C04I C037 C025 106.8(8) . . . . ?
B03S C00R C014 C00X 108.0(5) . . . . ?
B03S C00R C014 B03Y -38.6(4) . . . . ?
B03S C00R C014 B04A -144.2(4) . . . . ?
B03S C00R C014 B050 -105.7(4) . . . . ?
B03S C00R B04A C014 32.6(4) . . . . ?
B03S C00R B04A B04W -105.0(4) . . . . ?
B03S C00R B04A B04Z -65.8(5) . . . . ?
B03S C00R B04A B050 -2.8(5) . . . . ?
B03S C00R B04J B04N 38.5(4) . . . . ?
B03S C00R B04J B04T 100.4(5) . . . . ?
B03S C00R B04J B04W 139.0(5) . . . . ?
B03S C00R B04W B04A 102.0(5) . . . . ?
B03S C00R B04W B04J -39.2(4) . . . . ?
B03S C00R B04W B04T -0.5(6) . . . . ?
B03S C00R B04W B04Z 63.7(5) . . . . ?
B03S C014 B03Y C02C 107.6(5) . . . . ?
B03S C014 B03Y B04N -39.2(4) . . . . ?
B03S C014 B03Y B050 -139.6(4) . . . . ?
B03S C014 B03Y B052 -100.5(5) . . . . ?
B03S C014 B04A C00R -33.0(4) . . . . ?
B03S C014 B04A B04W 3.9(5) . . . . ?
B03S C014 B04A B04Z 67.0(5) . . . . ?
B03S C014 B04A B050 105.5(4) . . . . ?
B03S C014 B050 B03Y 38.8(4) . . . . ?
B03S C014 B050 B04A -102.8(4) . . . . ?
B03S C014 B050 B04Z -65.0(5) . . . . ?
B03S C014 B050 B052 -1.4(6) . . . . ?
B03S B03Y B04N B04J -36.4(4) . . . . ?
B03S B03Y B04N B04T -99.8(5) . . . . ?
B03S B03Y B04N B052 -136.6(4) . . . . ?
B03S B03Y B050 C014 -34.8(4) . . . . ?
B03S B03Y B050 B04A 0.3(6) . . . . ?
B03S B03Y B050 B04Z 62.9(5) . . . . ?
B03S B03Y B050 B052 99.8(5) . . . . ?
B03S B03Y B052 B04N 37.9(4) . . . . ?
B03S B03Y B052 B04T 1.7(6) . . . . ?
B03S B03Y B052 B04Z -62.6(6) . . . . ?
B03S B03Y B052 B050 -98.7(4) . . . . ?
B03S B04J B04N B03Y 36.6(4) . . . . ?
B03S B04J B04N B04T 138.0(5) . . . . ?
B03S B04J B04N B052 100.7(5) . . . . ?
B03S B04J B04T B04N -36.9(4) . . . . ?
B03S B04J B04T B04W 100.4(5) . . . . ?
B03S B04J B04T B04Z 63.2(5) . . . . ?
B03S B04J B04T B052 0.1(6) . . . . ?
B03S B04J B04W C00R 36.1(4) . . . . ?
B03S B04J B04W B04A 1.2(6) . . . . ?
B03S B04J B04W B04T -99.7(5) . . . . ?
B03S B04J B04W B04Z -61.3(5) . . . . ?
B03S B04N B04T B04J 37.6(4) . . . . ?
B03S B04N B04T B04W -1.1(7) . . . . ?
B03S B04N B04T B04Z -63.7(6) . . . . ?
B03S B04N B04T B052 -101.1(5) . . . . ?
B03S B04N B052 B03Y -39.1(4) . . . . ?
B03S B04N B052 B04T 100.5(5) . . . . ?
B03S B04N B052 B04Z 62.5(5) . . . . ?
B03S B04N B052 B050 -0.4(6) . . . . ?
B03Y C02C C025 O01B -95.7(7) . . . . ?
B03Y C02C C025 C037 82.2(7) . . . . ?
B03Y C014 B03S C00R 139.2(4) . . . . ?
B03Y C014 B03S B04J 102.9(4) . . . . ?
B03Y C014 B03S B04N 39.7(4) . . . . ?
B03Y C014 B04A C00R -101.7(4) . . . . ?
B03Y C014 B04A B04W -64.8(5) . . . . ?
B03Y C014 B04A B04Z -1.7(6) . . . . ?
B03Y C014 B04A B050 36.8(4) . . . . ?
B03Y C014 B050 B04A -141.6(5) . . . . ?
B03Y C014 B050 B04Z -103.8(5) . . . . ?
B03Y C014 B050 B052 -40.3(4) . . . . ?
B03Y B03S B04J C00R 99.6(4) . . . . ?
B03Y B03S B04J B04N -36.1(4) . . . . ?
B03Y B03S B04J B04T 0.9(5) . . . . ?
B03Y B03S B04J B04W 63.4(5) . . . . ?
B03Y B03S B04N B04J 140.1(4) . . . . ?
B03Y B03S B04N B04T 102.9(5) . . . . ?
B03Y B03S B04N B052 38.8(4) . . . . ?
B03Y B04N B04T B04J 102.1(5) . . . . ?
B03Y B04N B04T B04W 63.4(6) . . . . ?
B03Y B04N B04T B04Z 0.8(6) . . . . ?
B03Y B04N B04T B052 -36.6(4) . . . . ?
B03Y B04N B052 B04T 139.6(5) . . . . ?
B03Y B04N B052 B04Z 101.6(5) . . . . ?
B03Y B04N B052 B050 38.6(4) . . . . ?
B03Y B050 B052 B04N -38.8(4) . . . . ?
B03Y B050 B052 B04T -101.7(5) . . . . ?
B03Y B050 B052 B04Z -139.6(5) . . . . ?
B04A C00R C014 C00X -107.8(5) . . . . ?
B04A C00R C014 B03S 144.2(4) . . . . ?
B04A C00R C014 B03Y 105.6(4) . . . . ?
B04A C00R C014 B050 38.5(4) . . . . ?
B04A C00R B03S C014 -32.9(4) . . . . ?
B04A C00R B03S B03Y 3.1(5) . . . . ?
B04A C00R B03S B04J 105.1(5) . . . . ?
B04A C00R B03S B04N 65.9(5) . . . . ?
B04A C00R B04J B03S -102.8(4) . . . . ?
B04A C00R B04J B04N -64.3(5) . . . . ?
B04A C00R B04J B04T -2.4(5) . . . . ?
B04A C00R B04J B04W 36.2(4) . . . . ?
B04A C00R B04W B04J -141.3(5) . . . . ?
B04A C00R B04W B04T -102.5(5) . . . . ?
B04A C00R B04W B04Z -38.4(4) . . . . ?
B04A C014 B03S C00R 33.0(4) . . . . ?
B04A C014 B03S B03Y -106.1(4) . . . . ?
B04A C014 B03S B04J -3.2(5) . . . . ?
B04A C014 B03S B04N -66.4(5) . . . . ?
B04A C014 B03Y C02C -149.4(5) . . . . ?
B04A C014 B03Y B03S 103.0(4) . . . . ?
B04A C014 B03Y B04N 63.8(5) . . . . ?
B04A C014 B03Y B050 -36.7(4) . . . . ?
B04A C014 B03Y B052 2.4(6) . . . . ?
B04A C014 B050 B03Y 141.6(5) . . . . ?
B04A C014 B050 B04Z 37.8(4) . . . . ?
B04A C014 B050 B052 101.4(5) . . . . ?
B04A B04W B04Z B04T -138.2(4) . . . . ?
B04A B04W B04Z B050 -38.8(4) . . . . ?
B04A B04W B04Z B052 -102.1(5) . . . . ?
B04A B04Z B050 C014 -38.8(4) . . . . ?
B04A B04Z B050 B03Y -101.9(5) . . . . ?
B04A B04Z B050 B052 -138.8(5) . . . . ?
B04A B04Z B052 B03Y 1.3(7) . . . . ?
B04A B04Z B052 B04N -62.6(6) . . . . ?
B04A B04Z B052 B04T -100.3(5) . . . . ?
B04A B04Z B052 B050 37.6(4) . . . . ?
B04A B050 B052 B03Y 103.5(4) . . . . ?
B04A B050 B052 B04N 64.7(5) . . . . ?
B04A B050 B052 B04T 1.8(6) . . . . ?
B04A B050 B052 B04Z -36.1(4) . . . . ?
B04J C00R C014 C00X 147.2(4) . . . . ?
B04J C00R C014 B03S 39.3(4) . . . . ?
B04J C00R C014 B03Y 0.7(5) . . . . ?
B04J C00R C014 B04A -104.9(4) . . . . ?
B04J C00R C014 B050 -66.4(5) . . . . ?
B04J C00R B03S C014 -138.0(4) . . . . ?
B04J C00R B03S B03Y -102.0(4) . . . . ?
B04J C00R B03S B04N -39.2(4) . . . . ?
B04J C00R B04A C014 100.8(4) . . . . ?
B04J C00R B04A B04W -36.8(4) . . . . ?
B04J C00R B04A B04Z 2.4(5) . . . . ?
B04J C00R B04A B050 65.4(5) . . . . ?
B04J C00R B04W B04A 141.3(5) . . . . ?
B04J C00R B04W B04T 38.8(4) . . . . ?
B04J C00R B04W B04Z 102.9(5) . . . . ?
B04J B03S B03Y C02C 153.9(5) . . . . ?
B04J B03S B03Y C014 -98.2(4) . . . . ?
B04J B03S B03Y B04N 36.3(4) . . . . ?
B04J B03S B03Y B050 -63.5(5) . . . . ?
B04J B03S B03Y B052 -1.6(5) . . . . ?
B04J B03S B04N B03Y -140.1(4) . . . . ?
B04J B03S B04N B04T -37.2(4) . . . . ?
B04J B03S B04N B052 -101.3(5) . . . . ?
B04J B04N B04T B04W -38.7(5) . . . . ?
B04J B04N B04T B04Z -101.3(5) . . . . ?
B04J B04N B04T B052 -138.7(5) . . . . ?
B04J B04N B052 B03Y -102.9(4) . . . . ?
B04J B04N B052 B04T 36.7(4) . . . . ?
B04J B04N B052 B04Z -1.4(6) . . . . ?
B04J B04N B052 B050 -64.3(5) . . . . ?
B04J B04T B04W C00R -38.0(4) . . . . ?
B04J B04T B04W B04A -101.2(5) . . . . ?
B04J B04T B04W B04Z -138.0(5) . . . . ?
B04J B04T B04Z B04A 0.0(6) . . . . ?
B04J B04T B04Z B04W 37.7(4) . . . . ?
B04J B04T B04Z B050 -64.6(6) . . . . ?
B04J B04T B04Z B052 -102.0(5) . . . . ?
B04J B04T B052 B03Y -1.1(6) . . . . ?
B04J B04T B052 B04N -37.7(4) . . . . ?
B04J B04T B052 B04Z 100.0(5) . . . . ?
B04J B04T B052 B050 62.5(6) . . . . ?
B04J B04W B04Z B04A 100.4(5) . . . . ?
B04J B04W B04Z B04T -37.8(4) . . . . ?
B04J B04W B04Z B050 61.6(6) . . . . ?
B04J B04W B04Z B052 -1.7(6) . . . . ?
B04N B03S B03Y C02C 117.6(5) . . . . ?
B04N B03S B03Y C014 -134.5(4) . . . . ?
B04N B03S B03Y B050 -99.9(4) . . . . ?
B04N B03S B03Y B052 -38.0(4) . . . . ?
B04N B03S B04J C00R 135.6(4) . . . . ?
B04N B03S B04J B04T 37.0(4) . . . . ?
B04N B03S B04J B04W 99.5(5) . . . . ?
B04N B03Y B050 C014 -96.6(4) . . . . ?
B04N B03Y B050 B04A -61.5(5) . . . . ?
B04N B03Y B050 B04Z 1.1(6) . . . . ?
B04N B03Y B050 B052 38.0(4) . . . . ?
B04N B03Y B052 B04T -36.2(4) . . . . ?
B04N B03Y B052 B04Z -100.4(5) . . . . ?
B04N B03Y B052 B050 -136.6(5) . . . . ?
B04N B04J B04T B04W 137.2(5) . . . . ?
B04N B04J B04T B04Z 100.1(5) . . . . ?
B04N B04J B04T B052 37.0(4) . . . . ?
B04N B04J B04W C00R 98.2(4) . . . . ?
B04N B04J B04W B04A 63.3(5) . . . . ?
B04N B04J B04W B04T -37.6(4) . . . . ?
B04N B04J B04W B04Z 0.8(6) . . . . ?
B04N B04T B04W C00R 0.9(6) . . . . ?
B04N B04T B04W B04A -62.2(6) . . . . ?
B04N B04T B04W B04J 39.0(5) . . . . ?
B04N B04T B04W B04Z -99.1(5) . . . . ?
B04N B04T B04Z B04A 64.5(6) . . . . ?
B04N B04T B04Z B04W 102.2(5) . . . . ?
B04N B04T B04Z B050 -0.1(6) . . . . ?
B04N B04T B04Z B052 -37.5(4) . . . . ?
B04N B04T B052 B03Y 36.5(4) . . . . ?
B04N B04T B052 B04Z 137.6(5) . . . . ?
B04N B04T B052 B050 100.1(5) . . . . ?
B04T B04J B04N B03S -138.0(5) . . . . ?
B04T B04J B04N B03Y -101.4(5) . . . . ?
B04T B04J B04N B052 -37.3(4) . . . . ?
B04T B04J B04W C00R 135.8(5) . . . . ?
B04T B04J B04W B04A 100.9(5) . . . . ?
B04T B04J B04W B04Z 38.4(4) . . . . ?
B04T B04N B052 B03Y -139.6(5) . . . . ?
B04T B04N B052 B04Z -38.0(4) . . . . ?
B04T B04N B052 B050 -101.0(5) . . . . ?
B04T B04W B04Z B04A 138.2(4) . . . . ?
B04T B04W B04Z B050 99.4(5) . . . . ?
B04T B04W B04Z B052 36.1(4) . . . . ?
B04T B04Z B050 C014 62.5(5) . . . . ?
B04T B04Z B050 B03Y -0.6(6) . . . . ?
B04T B04Z B050 B04A 101.3(5) . . . . ?
B04T B04Z B050 B052 -37.5(4) . . . . ?
B04T B04Z B052 B03Y 101.6(5) . . . . ?
B04T B04Z B052 B04N 37.7(4) . . . . ?
B04T B04Z B052 B050 137.9(5) . . . . ?
B04W C00R C014 C00X -146.3(4) . . . . ?
B04W C00R C014 B03S 105.7(4) . . . . ?
B04W C00R C014 B03Y 67.1(5) . . . . ?
B04W C00R C014 B04A -38.5(4) . . . . ?
B04W C00R C014 B050 0.0(5) . . . . ?
B04W C00R B03S C014 -99.1(4) . . . . ?
B04W C00R B03S B03Y -63.0(5) . . . . ?
B04W C00R B03S B04J 39.0(4) . . . . ?
B04W C00R B03S B04N -0.2(6) . . . . ?
B04W C00R B04A C014 137.6(4) . . . . ?
B04W C00R B04A B04Z 39.2(4) . . . . ?
B04W C00R B04A B050 102.2(5) . . . . ?
B04W C00R B04J B03S -139.0(5) . . . . ?
B04W C00R B04J B04N -100.6(5) . . . . ?
B04W C00R B04J B04T -38.6(4) . . . . ?
B04W B04A B04Z B04T 37.0(4) . . . . ?
B04W B04A B04Z B050 137.5(4) . . . . ?
B04W B04A B04Z B052 100.6(5) . . . . ?
B04W B04A B050 C014 98.1(4) . . . . ?
B04W B04A B050 B03Y 63.2(5) . . . . ?
B04W B04A B050 B04Z -38.2(4) . . . . ?
B04W B04A B050 B052 -1.2(5) . . . . ?
B04W B04J B04N B03S -100.4(4) . . . . ?
B04W B04J B04N B03Y -63.8(5) . . . . ?
B04W B04J B04N B04T 37.6(4) . . . . ?
B04W B04J B04N B052 0.3(5) . . . . ?
B04W B04J B04T B04N -137.2(5) . . . . ?
B04W B04J B04T B04Z -37.1(4) . . . . ?
B04W B04J B04T B052 -100.2(5) . . . . ?
B04W B04T B04Z B04A -37.7(4) . . . . ?
B04W B04T B04Z B050 -102.3(5) . . . . ?
B04W B04T B04Z B052 -139.7(4) . . . . ?
B04W B04T B052 B03Y -65.3(6) . . . . ?
B04W B04T B052 B04N -101.9(5) . . . . ?
B04W B04T B052 B04Z 35.8(4) . . . . ?
B04W B04T B052 B050 -1.7(6) . . . . ?
B04W B04Z B050 C014 -0.2(6) . . . . ?
B04W B04Z B050 B03Y -63.4(6) . . . . ?
B04W B04Z B050 B04A 38.6(4) . . . . ?
B04W B04Z B050 B052 -100.2(5) . . . . ?
B04W B04Z B052 B03Y 65.8(6) . . . . ?
B04W B04Z B052 B04N 1.9(6) . . . . ?
B04W B04Z B052 B04T -35.8(4) . . . . ?
B04W B04Z B052 B050 102.1(5) . . . . ?
B04Z B04A B04W C00R -135.8(4) . . . . ?
B04Z B04A B04W B04J -101.6(5) . . . . ?
B04Z B04A B04W B04T -38.1(4) . . . . ?
B04Z B04A B050 C014 136.3(5) . . . . ?
B04Z B04A B050 B03Y 101.5(5) . . . . ?
B04Z B04A B050 B052 37.1(4) . . . . ?
B04Z B04T B04W C00R 100.0(5) . . . . ?
B04Z B04T B04W B04A 36.9(4) . . . . ?
B04Z B04T B04W B04J 138.0(5) . . . . ?
B04Z B04T B052 B03Y -101.1(5) . . . . ?
B04Z B04T B052 B04N -137.6(5) . . . . ?
B04Z B04T B052 B050 -37.5(4) . . . . ?
B04Z B050 B052 B03Y 139.6(5) . . . . ?
B04Z B050 B052 B04N 100.8(5) . . . . ?
B04Z B050 B052 B04T 37.9(4) . . . . ?
B050 C014 B03S C00R 100.6(4) . . . . ?
B050 C014 B03S B03Y -38.6(4) . . . . ?
B050 C014 B03S B04J 64.4(5) . . . . ?
B050 C014 B03S B04N 1.2(5) . . . . ?
B050 C014 B03Y C02C -112.8(6) . . . . ?
B050 C014 B03Y B03S 139.6(4) . . . . ?
B050 C014 B03Y B04N 100.5(4) . . . . ?
B050 C014 B03Y B052 39.1(4) . . . . ?
B050 C014 B04A C00R -138.5(4) . . . . ?
B050 C014 B04A B04W -101.6(5) . . . . ?
B050 C014 B04A B04Z -38.5(4) . . . . ?
B050 B03Y B04N B03S 98.6(4) . . . . ?
B050 B03Y B04N B04J 62.3(5) . . . . ?
B050 B03Y B04N B04T -1.2(6) . . . . ?
B050 B03Y B04N B052 -38.0(4) . . . . ?
B050 B03Y B052 B04N 136.6(5) . . . . ?
B050 B03Y B052 B04T 100.4(5) . . . . ?
B050 B03Y B052 B04Z 36.1(5) . . . . ?
B050 B04A B04W C00R -97.6(4) . . . . ?
B050 B04A B04W B04J -63.4(5) . . . . ?
B050 B04A B04W B04T 0.1(5) . . . . ?
B050 B04A B04W B04Z 38.2(4) . . . . ?
B050 B04A B04Z B04T -100.5(5) . . . . ?
B050 B04A B04Z B04W -137.5(4) . . . . ?
B050 B04A B04Z B052 -37.0(4) . . . . ?
B050 B04Z B052 B03Y -36.3(4) . . . . ?
B050 B04Z B052 B04N -100.2(5) . . . . ?
B050 B04Z B052 B04T -137.9(5) . . . . ?
B052 B03Y B04N B03S 136.6(4) . . . . ?
B052 B03Y B04N B04J 100.3(5) . . . . ?
B052 B03Y B04N B04T 36.8(4) . . . . ?
B052 B03Y B050 C014 -134.6(5) . . . . ?
B052 B03Y B050 B04A -99.5(5) . . . . ?
B052 B03Y B050 B04Z -36.9(4) . . . . ?
B052 B04N B04T B04J 138.7(5) . . . . ?
B052 B04N B04T B04W 100.1(6) . . . . ?
B052 B04N B04T B04Z 37.4(4) . . . . ?
B052 B04T B04W C00R 64.1(6) . . . . ?
B052 B04T B04W B04A 1.0(6) . . . . ?
B052 B04T B04W B04J 102.1(5) . . . . ?
B052 B04T B04W B04Z -35.9(4) . . . . ?
B052 B04T B04Z B04A 102.0(5) . . . . ?
B052 B04T B04Z B04W 139.7(5) . . . . ?
B052 B04T B04Z B050 37.4(4) . . . . ?
B052 B04Z B050 C014 100.0(5) . . . . ?
B052 B04Z B050 B03Y 36.9(4) . . . . ?
B052 B04Z B050 B04A 138.8(5) . . . . ?
O003 C01A C02S C03M -38.0(9) . . . . ?
O003 C01A C02S C04L 28.8(8) . . . . ?
O003 C01A C019 B02M -95.2(6) . . . . ?
N007 C00Y C01W C02O 2.2(8) . . . . ?
N007 C02H C024 C02O 0.2(9) . . . . ?
C00K C00L C00O C013 178.2(4) . . . . ?
C00K C00L C02P C02L -178.2(5) . . . . ?
C00K C00M C00Y N007 -75.5(5) . . . . ?
C00K C00M C00Y C01W 104.6(5) . . . . ?
C00K C00M B02M C019 145.8(4) . . . . ?
C00K C00M B02M B03U -64.0(5) . . . . ?
C00K C00M B02M B04D -103.6(4) . . . . ?
C00K C00M B02M B039 37.1(3) . . . . ?
C00K C00M B02M B047 -3.1(5) . . . . ?
C00K C00M B04D B02M 103.6(4) . . . . ?
C00K C00M B04D B03U 63.8(4) . . . . ?
C00K C00M B04D B04U 1.1(5) . . . . ?
C00K C00M B04D B049 -37.8(4) . . . . ?
C00K C00M B039 B02M -139.5(4) . . . . ?
C00K C00M B039 B03P -36.8(3) . . . . ?
C00K C00M B039 B047 -99.2(4) . . . . ?
C00K C00M B049 B04D 139.1(4) . . . . ?
C00K C00M B049 B04U 99.1(4) . . . . ?
C00K C00M B049 B043 36.4(3) . . . . ?
C00K B03P B03X B03U -62.9(5) . . . . ?
C00K B03P B03X B04U 1.4(5) . . . . ?
C00K B03P B03X B043 38.2(4) . . . . ?
C00K B03P B03X B047 -99.2(4) . . . . ?
C00K B03P B039 C00M 37.8(3) . . . . ?
C00K B03P B039 B02M 99.5(4) . . . . ?
C00K B03P B039 B047 136.0(4) . . . . ?
C00K B03P B043 B03X -136.2(4) . . . . ?
C00K B03P B043 B04U -98.7(4) . . . . ?
C00K B03P B043 B049 -35.7(4) . . . . ?
C00K B03P B047 B02M -2.2(5) . . . . ?
C00K B03P B047 B03U 62.9(5) . . . . ?
C00K B03P B047 B03X 99.9(4) . . . . ?
C00K B03P B047 B039 -38.3(3) . . . . ?
C00K B039 B047 B02M -102.1(4) . . . . ?
C00K B039 B047 B03P 37.6(4) . . . . ?
C00K B039 B047 B03U -64.0(5) . . . . ?
C00K B039 B047 B03X 0.1(5) . . . . ?
C00K B043 B049 C00M -37.0(3) . . . . ?
C00K B043 B049 B04D -97.7(4) . . . . ?
C00K B043 B049 B04U -136.3(4) . . . . ?
C00L C00K C00M C00Y 0.1(6) . . . . ?
C00L C00K C00M B02M -146.7(4) . . . . ?
C00L C00K C00M B04D 144.9(4) . . . . ?
C00L C00K C00M B039 -108.7(4) . . . . ?
C00L C00K C00M B049 106.7(5) . . . . ?
C00L C00K B03P B03X -150.6(4) . . . . ?
C00L C00K B03P B039 108.4(5) . . . . ?
C00L C00K B03P B043 -111.9(5) . . . . ?
C00L C00K B03P B047 147.0(4) . . . . ?
C00L C00K B039 C00M 107.9(4) . . . . ?
C00L C00K B039 B02M 143.4(4) . . . . ?
C00L C00K B039 B03P -114.9(5) . . . . ?
C00L C00K B039 B047 -153.4(4) . . . . ?
C00L C00K B043 B03P 113.6(5) . . . . ?
C00L C00K B043 B03X 152.4(4) . . . . ?
C00L C00K B043 B04U -144.2(4) . . . . ?
C00L C00K B043 B049 -105.9(5) . . . . ?
C00L C00K B049 C00M -108.8(4) . . . . ?
C00L C00K B049 B04D -144.0(4) . . . . ?
C00L C00K B049 B04U 152.2(4) . . . . ?
C00L C00K B049 B043 113.7(4) . . . . ?
C00L C00O C013 C01D 0.3(7) . . . . ?
C00M C00K C00L C00O 84.9(5) . . . . ?
C00M C00K C00L C02P -98.5(5) . . . . ?
C00M C00K B03P B03X 62.7(4) . . . . ?
C00M C00K B03P B039 -38.3(3) . . . . ?
C00M C00K B03P B043 101.4(4) . . . . ?
C00M C00K B03P B047 0.3(5) . . . . ?
C00M C00K B039 B02M 35.6(3) . . . . ?
C00M C00K B039 B03P 137.3(4) . . . . ?
C00M C00K B039 B047 98.7(4) . . . . ?
C00M C00K B043 B03P -102.6(4) . . . . ?
C00M C00K B043 B03X -63.7(5) . . . . ?
C00M C00K B043 B04U -0.4(5) . . . . ?
C00M C00K B043 B049 38.0(3) . . . . ?
C00M C00K B049 B04D -35.2(3) . . . . ?
C00M C00K B049 B04U -99.1(4) . . . . ?
C00M C00K B049 B043 -137.6(4) . . . . ?
C00M C00Y C01W C02O -178.0(5) . . . . ?
C00M B02M B03U B03X 61.4(5) . . . . ?
C00M B02M B03U B04D -38.5(4) . . . . ?
C00M B02M B03U B04U -1.5(5) . . . . ?
C00M B02M B03U B047 98.6(4) . . . . ?
C00M B02M B04D B03U 134.7(4) . . . . ?
C00M B02M B04D B04U 97.1(5) . . . . ?
C00M B02M B04D B049 34.8(4) . . . . ?
C00M B02M B039 C00K -36.3(3) . . . . ?
C00M B02M B039 B03P -97.6(4) . . . . ?
C00M B02M B039 B047 -133.9(4) . . . . ?
C00M B02M B047 B03P 3.2(5) . . . . ?
C00M B02M B047 B03U -98.4(4) . . . . ?
C00M B02M B047 B03X -60.8(5) . . . . ?
C00M B02M B047 B039 39.7(3) . . . . ?
C00M B04D B04U B03U 99.2(4) . . . . ?
C00M B04D B04U B03X 62.2(5) . . . . ?
C00M B04D B04U B043 -1.3(5) . . . . ?
C00M B04D B04U B049 -39.5(4) . . . . ?
C00M B04D B049 C00K 35.9(3) . . . . ?
C00M B04D B049 B04U 135.0(4) . . . . ?
C00M B04D B049 B043 96.9(4) . . . . ?
C00M B039 B047 B02M -39.5(3) . . . . ?
C00M B039 B047 B03P 100.2(4) . . . . ?
C00M B039 B047 B03U -1.3(5) . . . . ?
C00M B039 B047 B03X 62.8(5) . . . . ?
C00O C00L C02P C02L -1.4(8) . . . . ?
C00Y N007 C02H C024 1.0(8) . . . . ?
C00Y C00M B02M C019 1.1(7) . . . . ?
C00Y C00M B02M B03U 151.3(4) . . . . ?
C00Y C00M B02M B04D 111.7(5) . . . . ?
C00Y C00M B02M B039 -107.6(5) . . . . ?
C00Y C00M B02M B047 -147.7(4) . . . . ?
C00Y C00M B04D B02M -113.3(5) . . . . ?
C00Y C00M B04D B03U -153.1(4) . . . . ?
C00Y C00M B04D B04U 144.2(4) . . . . ?
C00Y C00M B04D B049 105.3(5) . . . . ?
C00Y C00M B039 C00K -106.6(4) . . . . ?
C00Y C00M B039 B02M 113.8(4) . . . . ?
C00Y C00M B039 B03P -143.4(4) . . . . ?
C00Y C00M B039 B047 154.2(4) . . . . ?
C00Y C00M B049 C00K 107.7(4) . . . . ?
C00Y C00M B049 B04D -113.2(5) . . . . ?
C00Y C00M B049 B04U -153.2(4) . . . . ?
C00Y C00M B049 B043 144.2(4) . . . . ?
C00Y C01W C02O C024 -0.9(8) . . . . ?
C01A C02S C03M C04L 106.1(6) . . . . ?
C01A C02S C04L C03M -107.4(6) . . . . ?
C01A C019 B02M C00M 139.2(5) . . . . ?
C01A C019 B02M B03U -3.4(7) . . . . ?
C01A C019 B02M B04D 71.1(6) . . . . ?
C01A C019 B02M B039 -152.1(4) . . . . ?
C01A C019 B02M B047 -79.4(6) . . . . ?
C01D C02L C02P C00L -0.5(9) . . . . ?
C01W C02O C024 C02H -0.2(9) . . . . ?
C02H N007 C00Y C00M 177.9(5) . . . . ?
C02H N007 C00Y C01W -2.2(8) . . . . ?
C02L C01D C013 C00O -2.1(8) . . . . ?
C02P C00L C00O C013 1.4(7) . . . . ?
C02S C01A C019 B02M 84.7(6) . . . . ?
C013 C01D C02L C02P 2.2(9) . . . . ?
C019 C01A C02S C03M 142.1(5) . . . . ?
C019 C01A C02S C04L -151.0(5) . . . . ?
C019 B02M B03U B03X -151.9(5) . . . . ?
C019 B02M B03U B04D 108.2(6) . . . . ?
C019 B02M B03U B04U 145.3(5) . . . . ?
C019 B02M B03U B047 -114.6(6) . . . . ?
C019 B02M B04D C00M 107.0(5) . . . . ?
C019 B02M B04D B03U -118.3(5) . . . . ?
C019 B02M B04D B04U -155.9(4) . . . . ?
C019 B02M B04D B049 141.7(5) . . . . ?
C019 B02M B039 C00K -144.5(4) . . . . ?
C019 B02M B039 C00M -108.2(5) . . . . ?
C019 B02M B039 B03P 154.1(4) . . . . ?
C019 B02M B039 B047 117.9(5) . . . . ?
C019 B02M B047 B03P -142.5(5) . . . . ?
C019 B02M B047 B03U 115.9(6) . . . . ?
C019 B02M B047 B03X 153.6(5) . . . . ?
C019 B02M B047 B039 -106.0(5) . . . . ?
C042 C01D C02L C02P 179.5(5) . . . . ?
C042 C01D C013 C00O -179.5(5) . . . . ?
B02M C00M C00Y N007 67.2(6) . . . . ?
B02M C00M C00Y C01W -112.7(5) . . . . ?
B02M C00M B04D B03U -39.9(4) . . . . ?
B02M C00M B04D B04U -102.6(4) . . . . ?
B02M C00M B04D B049 -141.4(4) . . . . ?
B02M C00M B039 C00K 139.5(4) . . . . ?
B02M C00M B039 B03P 102.8(4) . . . . ?
B02M C00M B039 B047 40.4(3) . . . . ?
B02M C00M B049 C00K -101.5(4) . . . . ?
B02M C00M B049 B04D 37.6(4) . . . . ?
B02M C00M B049 B04U -2.4(6) . . . . ?
B02M C00M B049 B043 -65.0(5) . . . . ?
B02M B03U B03X B03P 0.6(5) . . . . ?
B02M B03U B03X B04U -99.6(4) . . . . ?
B02M B03U B03X B043 -62.5(5) . . . . ?
B02M B03U B03X B047 37.2(4) . . . . ?
B02M B03U B04D C00M 39.0(4) . . . . ?
B02M B03U B04D B04U 138.2(5) . . . . ?
B02M B03U B04D B049 101.9(4) . . . . ?
B02M B03U B04U B03X 101.5(4) . . . . ?
B02M B03U B04U B04D -37.0(4) . . . . ?
B02M B03U B04U B043 64.3(5) . . . . ?
B02M B03U B04U B049 0.1(6) . . . . ?
B02M B03U B047 B03P -101.8(4) . . . . ?
B02M B03U B047 B03X -138.5(4) . . . . ?
B02M B03U B047 B039 -37.5(4) . . . . ?
B02M B04D B04U B03U 37.7(4) . . . . ?
B02M B04D B04U B03X 0.8(6) . . . . ?
B02M B04D B04U B043 -62.8(5) . . . . ?
B02M B04D B04U B049 -101.0(4) . . . . ?
B02M B04D B049 C00K 1.7(5) . . . . ?
B02M B04D B049 C00M -34.2(4) . . . . ?
B02M B04D B049 B04U 100.8(5) . . . . ?
B02M B04D B049 B043 62.7(5) . . . . ?
B02M B039 B047 B03P 139.7(4) . . . . ?
B02M B039 B047 B03U 38.2(4) . . . . ?
B02M B039 B047 B03X 102.3(4) . . . . ?
B03P C00K C00L C00O -59.0(6) . . . . ?
B03P C00K C00L C02P 117.7(5) . . . . ?
B03P C00K C00M C00Y 148.6(4) . . . . ?
B03P C00K C00M B02M 1.8(5) . . . . ?
B03P C00K C00M B04D -66.6(4) . . . . ?
B03P C00K C00M B039 39.8(4) . . . . ?
B03P C00K C00M B049 -104.9(4) . . . . ?
B03P C00K B039 C00M -137.3(4) . . . . ?
B03P C00K B039 B02M -101.7(4) . . . . ?
B03P C00K B039 B047 -38.5(4) . . . . ?
B03P C00K B043 B03X 38.9(4) . . . . ?
B03P C00K B043 B04U 102.2(4) . . . . ?
B03P C00K B043 B049 140.5(4) . . . . ?
B03P C00K B049 C00M 100.3(4) . . . . ?
B03P C00K B049 B04D 65.0(5) . . . . ?
B03P C00K B049 B04U 1.2(5) . . . . ?
B03P C00K B049 B043 -37.3(4) . . . . ?
B03P B03X B04U B03U -101.5(4) . . . . ?
B03P B03X B04U B04D -64.3(5) . . . . ?
B03P B03X B04U B043 36.8(4) . . . . ?
B03P B03X B04U B049 -0.7(6) . . . . ?
B03P B03X B043 C00K -38.1(4) . . . . ?
B03P B03X B043 B04U -138.4(4) . . . . ?
B03P B03X B043 B049 -101.8(4) . . . . ?
B03P B03X B047 B02M 101.2(4) . . . . ?
B03P B03X B047 B03U 139.2(4) . . . . ?
B03P B03X B047 B039 37.7(4) . . . . ?
B03P B039 B047 B02M -139.7(4) . . . . ?
B03P B039 B047 B03U -101.6(5) . . . . ?
B03P B039 B047 B03X -37.5(4) . . . . ?
B03P B043 B049 C00K 35.0(4) . . . . ?
B03P B043 B049 C00M -2.0(5) . . . . ?
B03P B043 B049 B04D -62.7(5) . . . . ?
B03P B043 B049 B04U -101.2(5) . . . . ?
B03U B02M B04D C00M -134.7(4) . . . . ?
B03U B02M B04D B04U -37.6(4) . . . . ?
B03U B02M B04D B049 -99.9(5) . . . . ?
B03U B02M B039 C00K 61.0(4) . . . . ?
B03U B02M B039 C00M 97.3(4) . . . . ?
B03U B02M B039 B03P -0.4(5) . . . . ?
B03U B02M B039 B047 -36.6(4) . . . . ?
B03U B02M B047 B03P 101.6(4) . . . . ?
B03U B02M B047 B03X 37.7(4) . . . . ?
B03U B02M B047 B039 138.1(4) . . . . ?
B03U B03X B04U B04D 37.2(4) . . . . ?
B03U B03X B04U B043 138.3(4) . . . . ?
B03U B03X B04U B049 100.8(5) . . . . ?
B03U B03X B043 C00K 62.7(5) . . . . ?
B03U B03X B043 B03P 100.7(4) . . . . ?
B03U B03X B043 B04U -37.7(4) . . . . ?
B03U B03X B043 B049 -1.0(5) . . . . ?
B03U B03X B047 B02M -38.0(4) . . . . ?
B03U B03X B047 B03P -139.2(4) . . . . ?
B03U B03X B047 B039 -101.5(5) . . . . ?
B03U B04D B04U B03X -36.9(4) . . . . ?
B03U B04D B04U B043 -100.5(5) . . . . ?
B03U B04D B04U B049 -138.7(4) . . . . ?
B03U B04D B049 C00K -62.2(5) . . . . ?
B03U B04D B049 C00M -98.1(4) . . . . ?
B03U B04D B049 B04U 36.9(4) . . . . ?
B03U B04D B049 B043 -1.2(5) . . . . ?
B03U B04U B043 C00K -62.6(5) . . . . ?
B03U B04U B043 B03P -0.5(5) . . . . ?
B03U B04U B043 B03X 37.0(4) . . . . ?
B03U B04U B043 B049 -101.6(4) . . . . ?
B03U B04U B049 C00K 63.0(5) . . . . ?
B03U B04U B049 C00M 1.3(6) . . . . ?
B03U B04U B049 B04D -37.1(4) . . . . ?
B03U B04U B049 B043 100.5(5) . . . . ?
B03X B03P B039 C00K -98.8(4) . . . . ?
B03X B03P B039 C00M -61.0(5) . . . . ?
B03X B03P B039 B02M 0.7(5) . . . . ?
B03X B03P B039 B047 37.2(4) . . . . ?
B03X B03P B043 C00K 136.2(4) . . . . ?
B03X B03P B043 B04U 37.6(4) . . . . ?
B03X B03P B043 B049 100.5(5) . . . . ?
B03X B03P B047 B02M -102.0(4) . . . . ?
B03X B03P B047 B03U -36.9(4) . . . . ?
B03X B03P B047 B039 -138.2(4) . . . . ?
B03X B03U B04D C00M -62.4(5) . . . . ?
B03X B03U B04D B02M -101.4(4) . . . . ?
B03X B03U B04D B04U 36.8(4) . . . . ?
B03X B03U B04D B049 0.5(5) . . . . ?
B03X B03U B04U B04D -138.5(4) . . . . ?
B03X B03U B04U B043 -37.2(4) . . . . ?
B03X B03U B04U B049 -101.4(5) . . . . ?
B03X B03U B047 B02M 138.5(4) . . . . ?
B03X B03U B047 B03P 36.7(4) . . . . ?
B03X B03U B047 B039 101.0(4) . . . . ?
B03X B04U B043 C00K -99.6(4) . . . . ?
B03X B04U B043 B03P -37.6(4) . . . . ?
B03X B04U B043 B049 -138.6(4) . . . . ?
B03X B04U B049 C00K -0.2(5) . . . . ?
B03X B04U B049 C00M -62.0(5) . . . . ?
B03X B04U B049 B04D -100.4(4) . . . . ?
B03X B04U B049 B043 37.2(4) . . . . ?
B03X B043 B049 C00K 99.1(4) . . . . ?
B03X B043 B049 C00M 62.0(5) . . . . ?
B03X B043 B049 B04D 1.4(5) . . . . ?
B03X B043 B049 B04U -37.2(4) . . . . ?
B04D C00M C00Y N007 143.5(4) . . . . ?
B04D C00M C00Y C01W -36.4(7) . . . . ?
B04D C00M B02M C019 -110.6(5) . . . . ?
B04D C00M B02M B03U 39.6(4) . . . . ?
B04D C00M B02M B039 140.7(4) . . . . ?
B04D C00M B02M B047 100.5(4) . . . . ?
B04D C00M B039 C00K 101.3(4) . . . . ?
B04D C00M B039 B02M -38.3(4) . . . . ?
B04D C00M B039 B03P 64.5(5) . . . . ?
B04D C00M B039 B047 2.1(5) . . . . ?
B04D C00M B049 C00K -139.1(4) . . . . ?
B04D C00M B049 B04U -40.0(4) . . . . ?
B04D C00M B049 B043 -102.7(4) . . . . ?
B04D B02M B03U B03X 99.9(5) . . . . ?
B04D B02M B03U B04U 37.0(4) . . . . ?
B04D B02M B03U B047 137.2(5) . . . . ?
B04D B02M B039 C00K -2.1(5) . . . . ?
B04D B02M B039 C00M 34.1(3) . . . . ?
B04D B02M B039 B03P -63.5(5) . . . . ?
B04D B02M B039 B047 -99.8(4) . . . . ?
B04D B02M B047 B03P 63.6(5) . . . . ?
B04D B02M B047 B03U -38.0(4) . . . . ?
B04D B02M B047 B03X -0.3(5) . . . . ?
B04D B02M B047 B039 100.1(4) . . . . ?
B04D B03U B03X B03P 63.4(5) . . . . ?
B04D B03U B03X B04U -36.8(4) . . . . ?
B04D B03U B03X B043 0.3(5) . . . . ?
B04D B03U B03X B047 100.0(4) . . . . ?
B04D B03U B04U B03X 138.5(4) . . . . ?
B04D B03U B04U B043 101.3(4) . . . . ?
B04D B03U B04U B049 37.1(4) . . . . ?
B04D B03U B047 B02M 37.8(4) . . . . ?
B04D B03U B047 B03P -64.0(5) . . . . ?
B04D B03U B047 B03X -100.8(4) . . . . ?
B04D B03U B047 B039 0.2(5) . . . . ?
B04D B04U B043 C00K 1.0(5) . . . . ?
B04D B04U B043 B03P 63.1(5) . . . . ?
B04D B04U B043 B03X 100.7(4) . . . . ?
B04D B04U B043 B049 -37.9(4) . . . . ?
B04D B04U B049 C00K 100.2(4) . . . . ?
B04D B04U B049 C00M 38.4(4) . . . . ?
B04D B04U B049 B043 137.7(4) . . . . ?
B04U B03U B03X B03P 100.2(4) . . . . ?
B04U B03U B03X B043 37.1(4) . . . . ?
B04U B03U B03X B047 136.8(4) . . . . ?
B04U B03U B04D C00M -99.2(5) . . . . ?
B04U B03U B04D B02M -138.2(5) . . . . ?
B04U B03U B04D B049 -36.3(4) . . . . ?
B04U B03U B047 B02M 100.4(4) . . . . ?
B04U B03U B047 B03P -1.4(5) . . . . ?
B04U B03U B047 B03X -38.1(4) . . . . ?
B04U B03U B047 B039 62.9(5) . . . . ?
B04U B03X B043 C00K 100.3(4) . . . . ?
B04U B03X B043 B03P 138.4(4) . . . . ?
B04U B03X B043 B049 36.7(4) . . . . ?
B04U B03X B047 B02M 0.8(6) . . . . ?
B04U B03X B047 B03P -100.4(4) . . . . ?
B04U B03X B047 B03U 38.8(4) . . . . ?
B04U B03X B047 B039 -62.7(5) . . . . ?
B04U B04D B049 C00K -99.1(4) . . . . ?
B04U B04D B049 C00M -135.0(4) . . . . ?
B04U B04D B049 B043 -38.1(4) . . . . ?
B04U B043 B049 C00K 136.3(4) . . . . ?
B04U B043 B049 C00M 99.2(4) . . . . ?
B04U B043 B049 B04D 38.5(4) . . . . ?
B039 C00K C00L C00O 16.0(6) . . . . ?
B039 C00K C00L C02P -167.3(4) . . . . ?
B039 C00K C00M C00Y 108.7(4) . . . . ?
B039 C00K C00M B02M -38.0(3) . . . . ?
B039 C00K C00M B04D -106.4(4) . . . . ?
B039 C00K C00M B049 -144.7(4) . . . . ?
B039 C00K B03P B03X 101.0(4) . . . . ?
B039 C00K B03P B043 139.7(4) . . . . ?
B039 C00K B03P B047 38.6(4) . . . . ?
B039 C00K B043 B03P -38.7(4) . . . . ?
B039 C00K B043 B03X 0.2(6) . . . . ?
B039 C00K B043 B04U 63.5(5) . . . . ?
B039 C00K B043 B049 101.9(4) . . . . ?
B039 C00K B049 C00M 32.1(3) . . . . ?
B039 C00K B049 B04D -3.1(5) . . . . ?
B039 C00K B049 B04U -67.0(5) . . . . ?
B039 C00K B049 B043 -105.4(4) . . . . ?
B039 C00M C00Y N007 -6.5(6) . . . . ?
B039 C00M C00Y C01W 173.7(4) . . . . ?
B039 C00M B02M C019 108.7(5) . . . . ?
B039 C00M B02M B03U -101.1(4) . . . . ?
B039 C00M B02M B04D -140.7(4) . . . . ?
B039 C00M B02M B047 -40.2(3) . . . . ?
B039 C00M B04D B02M 37.9(4) . . . . ?
B039 C00M B04D B03U -1.9(5) . . . . ?
B039 C00M B04D B04U -64.7(5) . . . . ?
B039 C00M B04D B049 -103.5(4) . . . . ?
B039 C00M B049 C00K -32.8(4) . . . . ?
B039 C00M B049 B04D 106.2(4) . . . . ?
B039 C00M B049 B04U 66.2(5) . . . . ?
B039 C00M B049 B043 3.6(5) . . . . ?
B039 B02M B03U B03X -0.1(5) . . . . ?
B039 B02M B03U B04D -100.0(4) . . . . ?
B039 B02M B03U B04U -63.0(5) . . . . ?
B039 B02M B03U B047 37.2(4) . . . . ?
B039 B02M B04D C00M -34.5(4) . . . . ?
B039 B02M B04D B03U 100.2(4) . . . . ?
B039 B02M B04D B04U 62.6(5) . . . . ?
B039 B02M B04D B049 0.3(5) . . . . ?
B039 B02M B047 B03P -36.5(4) . . . . ?
B039 B02M B047 B03U -138.1(4) . . . . ?
B039 B02M B047 B03X -100.4(4) . . . . ?
B039 B03P B03X B03U -0.8(5) . . . . ?
B039 B03P B03X B04U 63.4(5) . . . . ?
B039 B03P B03X B043 100.3(4) . . . . ?
B039 B03P B03X B047 -37.1(4) . . . . ?
B039 B03P B043 C00K 35.6(4) . . . . ?
B039 B03P B043 B03X -100.6(5) . . . . ?
B039 B03P B043 B04U -63.1(5) . . . . ?
B039 B03P B043 B049 -0.1(6) . . . . ?
B039 B03P B047 B02M 36.2(4) . . . . ?
B039 B03P B047 B03U 101.3(4) . . . . ?
B039 B03P B047 B03X 138.2(4) . . . . ?
B043 C00K C00L C00O -134.7(5) . . . . ?
B043 C00K C00L C02P 42.0(7) . . . . ?
B043 C00K C00M C00Y -145.3(4) . . . . ?
B043 C00K C00M B02M 68.0(4) . . . . ?
B043 C00K C00M B04D -0.5(5) . . . . ?
B043 C00K C00M B039 106.0(4) . . . . ?
B043 C00K C00M B049 -38.7(4) . . . . ?
B043 C00K B03P B03X -38.6(4) . . . . ?
B043 C00K B03P B039 -139.7(4) . . . . ?
B043 C00K B03P B047 -101.1(4) . . . . ?
B043 C00K B039 C00M -98.9(4) . . . . ?
B043 C00K B039 B02M -63.3(5) . . . . ?
B043 C00K B039 B03P 38.4(4) . . . . ?
B043 C00K B039 B047 -0.2(5) . . . . ?
B043 C00K B049 C00M 137.6(4) . . . . ?
B043 C00K B049 B04D 102.3(4) . . . . ?
B043 C00K B049 B04U 38.5(4) . . . . ?
B043 B03P B03X B03U -101.0(5) . . . . ?
B043 B03P B03X B04U -36.8(4) . . . . ?
B043 B03P B03X B047 -137.4(4) . . . . ?
B043 B03P B039 C00K -35.6(4) . . . . ?
B043 B03P B039 C00M 2.3(5) . . . . ?
B043 B03P B039 B02M 63.9(5) . . . . ?
B043 B03P B039 B047 100.4(5) . . . . ?
B043 B03P B047 B02M -64.1(5) . . . . ?
B043 B03P B047 B03U 1.0(5) . . . . ?
B043 B03P B047 B03X 37.9(4) . . . . ?
B043 B03P B047 B039 -100.3(4) . . . . ?
B043 B03X B04U B03U -138.3(4) . . . . ?
B043 B03X B04U B04D -101.2(4) . . . . ?
B043 B03X B04U B049 -37.5(4) . . . . ?
B043 B03X B047 B02M 63.5(5) . . . . ?
B043 B03X B047 B03P -37.7(4) . . . . ?
B043 B03X B047 B03U 101.5(5) . . . . ?
B043 B03X B047 B039 0.0(6) . . . . ?
B043 B04U B049 C00K -37.5(3) . . . . ?
B043 B04U B049 C00M -99.2(4) . . . . ?
B043 B04U B049 B04D -137.7(4) . . . . ?
B047 B02M B03U B03X -37.3(4) . . . . ?
B047 B02M B03U B04D -137.2(5) . . . . ?
B047 B02M B03U B04U -100.1(5) . . . . ?
B047 B02M B04D C00M -97.4(4) . . . . ?
B047 B02M B04D B03U 37.3(4) . . . . ?
B047 B02M B04D B04U -0.3(5) . . . . ?
B047 B02M B04D B049 -62.6(5) . . . . ?
B047 B02M B039 C00K 97.6(4) . . . . ?
B047 B02M B039 C00M 133.9(4) . . . . ?
B047 B02M B039 B03P 36.3(4) . . . . ?
B047 B03P B03X B03U 36.3(4) . . . . ?
B047 B03P B03X B04U 100.5(4) . . . . ?
B047 B03P B03X B043 137.4(4) . . . . ?
B047 B03P B039 C00K -136.0(4) . . . . ?
B047 B03P B039 C00M -98.1(4) . . . . ?
B047 B03P B039 B02M -36.5(4) . . . . ?
B047 B03P B043 C00K 98.4(4) . . . . ?
B047 B03P B043 B03X -37.9(4) . . . . ?
B047 B03P B043 B04U -0.3(5) . . . . ?
B047 B03P B043 B049 62.6(5) . . . . ?
B047 B03U B03X B03P -36.7(4) . . . . ?
B047 B03U B03X B04U -136.8(4) . . . . ?
B047 B03U B03X B043 -99.7(4) . . . . ?
B047 B03U B04D C00M 1.0(5) . . . . ?
B047 B03U B04D B02M -38.0(4) . . . . ?
B047 B03U B04D B04U 100.2(5) . . . . ?
B047 B03U B04D B049 63.9(5) . . . . ?
B047 B03U B04U B03X 38.4(4) . . . . ?
B047 B03U B04U B04D -100.1(5) . . . . ?
B047 B03U B04U B043 1.2(5) . . . . ?
B047 B03U B04U B049 -63.0(6) . . . . ?
B047 B03X B04U B03U -38.1(4) . . . . ?
B047 B03X B04U B04D -0.9(6) . . . . ?
B047 B03X B04U B043 100.2(4) . . . . ?
B047 B03X B04U B049 62.7(5) . . . . ?
B047 B03X B043 C00K -0.1(6) . . . . ?
B047 B03X B043 B03P 38.0(4) . . . . ?
B047 B03X B043 B04U -100.4(5) . . . . ?
B047 B03X B043 B049 -63.7(5) . . . . ?
B049 C00K C00L C00O 153.5(4) . . . . ?
B049 C00K C00L C02P -29.8(6) . . . . ?
B049 C00K C00M C00Y -106.6(4) . . . . ?
B049 C00K C00M B02M 106.7(4) . . . . ?
B049 C00K C00M B04D 38.3(4) . . . . ?
B049 C00K C00M B039 144.7(4) . . . . ?
B049 C00K B03P B03X -1.6(5) . . . . ?
B049 C00K B03P B039 -102.6(4) . . . . ?
B049 C00K B03P B043 37.0(4) . . . . ?
B049 C00K B03P B047 -64.1(5) . . . . ?
B049 C00K B039 C00M -32.2(3) . . . . ?
B049 C00K B039 B02M 3.3(5) . . . . ?
B049 C00K B039 B03P 105.0(4) . . . . ?
B049 C00K B039 B047 66.5(5) . . . . ?
B049 C00K B043 B03P -140.5(4) . . . . ?
B049 C00K B043 B03X -101.7(5) . . . . ?
B049 C00K B043 B04U -38.4(4) . . . . ?
B049 C00M C00Y N007 -144.7(4) . . . . ?
B049 C00M C00Y C01W 35.5(7) . . . . ?
B049 C00M B02M C019 -147.7(5) . . . . ?
B049 C00M B02M B03U 2.5(5) . . . . ?
B049 C00M B02M B04D -37.1(4) . . . . ?
B049 C00M B02M B039 103.6(4) . . . . ?
B049 C00M B02M B047 63.4(5) . . . . ?
B049 C00M B04D B02M 141.4(4) . . . . ?
B049 C00M B04D B03U 101.6(4) . . . . ?
B049 C00M B04D B04U 38.8(4) . . . . ?
B049 C00M B039 C00K 33.1(4) . . . . ?
B049 C00M B039 B02M -106.5(4) . . . . ?
B049 C00M B039 B03P -3.7(5) . . . . ?
B049 C00M B039 B047 -66.1(5) . . . . ?
B049 B04D B04U B03U 138.7(4) . . . . ?
B049 B04D B04U B03X 101.7(5) . . . . ?
B049 B04D B04U B043 38.2(4) . . . . ?
B049 B04U B043 C00K 39.0(4) . . . . ?
B049 B04U B043 B03P 101.0(4) . . . . ?
B049 B04U B043 B03X 138.6(4) . . . . ?
O00C C01M C020 B03E 96.6(6) . . . . ?
O00C C01M C030 C04V 34.6(9) . . . . ?
O00C C01M C030 C054 -33.0(9) . . . . ?
N00A C03T C040 C051 1.1(12) . . . . ?
C00H C00J C008 C01G 83.5(6) . . . . ?
C00H C00J C008 C01J -100.6(5) . . . . ?
C00H C00J B02I B03E -35.4(3) . . . . ?
C00H C00J B02I B04G -98.9(4) . . . . ?
C00H C00J B02I B031 -137.1(4) . . . . ?
C00H C00J B02N B02R 99.9(4) . . . . ?
C00H C00J B02N B02Y 137.6(4) . . . . ?
C00H C00J B02N B038 36.8(3) . . . . ?
C00H C00J B02Y B02N -37.9(4) . . . . ?
C00H C00J B02Y B02R 0.0(5) . . . . ?
C00H C00J B02Y B04F 63.3(4) . . . . ?
C00H C00J B02Y B031 101.9(4) . . . . ?
C00H C00J B031 B02I 38.6(3) . . . . ?
C00H C00J B031 B02Y -102.1(4) . . . . ?
C00H C00J B031 B04F -64.1(4) . . . . ?
C00H C00J B031 B04G 0.0(5) . . . . ?
C00H B02I B03E C020 109.3(5) . . . . ?
C00H B02I B03E B03K -96.4(4) . . . . ?
C00H B02I B03E B04G -134.5(4) . . . . ?
C00H B02I B03E B038 -35.0(3) . . . . ?
C00H B02I B04G B03E 39.2(3) . . . . ?
C00H B02I B04G B03K 0.4(5) . . . . ?
C00H B02I B04G B04F -62.3(5) . . . . ?
C00H B02I B04G B031 -100.0(4) . . . . ?
C00H B02I B031 C00J -37.7(3) . . . . ?
C00H B02I B031 B02Y -3.1(5) . . . . ?
C00H B02I B031 B04F 60.0(5) . . . . ?
C00H B02I B031 B04G 98.8(4) . . . . ?
C00H B02N B02R B02Y 99.5(4) . . . . ?
C00H B02N B02R B03K -0.8(5) . . . . ?
C00H B02N B02R B04F 62.0(4) . . . . ?
C00H B02N B02R B038 -37.8(3) . . . . ?
C00H B02N B02Y C00J 37.4(3) . . . . ?
C00H B02N B02Y B02R -99.7(4) . . . . ?
C00H B02N B02Y B04F -61.7(5) . . . . ?
C00H B02N B02Y B031 1.9(5) . . . . ?
C00H B02N B038 B02R 136.4(4) . . . . ?
C00H B02N B038 B03E 33.4(3) . . . . ?
C00H B02N B038 B03K 98.2(4) . . . . ?
C00H B03E B03K B02R 1.6(5) . . . . ?
C00H B03E B03K B04F -61.9(5) . . . . ?
C00H B03E B03K B04G -99.2(4) . . . . ?
C00H B03E B03K B038 38.5(3) . . . . ?
C00H B03E B04G B02I -39.1(3) . . . . ?
C00H B03E B04G B03K 97.5(4) . . . . ?
C00H B03E B04G B04F 60.8(4) . . . . ?
C00H B03E B04G B031 -2.4(5) . . . . ?
C00H B03E B038 B02N -33.4(3) . . . . ?
C00H B03E B038 B02R -97.4(4) . . . . ?
C00H B03E B038 B03K -134.7(4) . . . . ?
C00J C00H C011 N00A 72.8(6) . . . . ?
C00J C00H C011 C03G -106.3(5) . . . . ?
C00J C00H B02I B03E 139.7(4) . . . . ?
C00J C00H B02I B04G 99.6(4) . . . . ?
C00J C00H B02I B031 37.3(3) . . . . ?
C00J C00H B02N B02R -99.2(4) . . . . ?
C00J C00H B02N B02Y -36.6(3) . . . . ?
C00J C00H B02N B038 -137.8(4) . . . . ?
C00J C00H B03E C020 -143.7(4) . . . . ?
C00J C00H B03E B02I -36.9(3) . . . . ?
C00J C00H B03E B03K 64.0(4) . . . . ?
C00J C00H B03E B04G 2.4(5) . . . . ?
C00J C00H B03E B038 102.8(4) . . . . ?
C00J C00H B038 B02N 38.7(3) . . . . ?
C00J C00H B038 B02R 0.2(5) . . . . ?
C00J C00H B038 B03E -103.7(4) . . . . ?
C00J C00H B038 B03K -63.4(5) . . . . ?
C00J B02I B03E C00H 35.8(3) . . . . ?
C00J B02I B03E C020 145.1(4) . . . . ?
C00J B02I B03E B03K -60.7(4) . . . . ?
C00J B02I B03E B04G -98.8(4) . . . . ?
C00J B02I B03E B038 0.8(5) . . . . ?
C00J B02I B04G B03E 101.4(4) . . . . ?
C00J B02I B04G B03K 62.7(5) . . . . ?
C00J B02I B04G B04F 0.0(5) . . . . ?
C00J B02I B04G B031 -37.7(3) . . . . ?
C00J B02I B031 B02Y 34.7(3) . . . . ?
C00J B02I B031 B04F 97.7(4) . . . . ?
C00J B02I B031 B04G 136.5(4) . . . . ?
C00J B02N B02R B02Y 37.0(3) . . . . ?
C00J B02N B02R B03K -63.4(4) . . . . ?
C00J B02N B02R B04F -0.5(5) . . . . ?
C00J B02N B02R B038 -100.4(4) . . . . ?
C00J B02N B02Y B02R -137.1(4) . . . . ?
C00J B02N B02Y B04F -99.1(4) . . . . ?
C00J B02N B02Y B031 -35.5(4) . . . . ?
C00J B02N B038 C00H -37.3(3) . . . . ?
C00J B02N B038 B02R 99.1(4) . . . . ?
C00J B02N B038 B03E -3.9(5) . . . . ?
C00J B02N B038 B03K 60.8(4) . . . . ?
C00J B02Y B04F B02R -100.2(4) . . . . ?
C00J B02Y B04F B03K -61.9(5) . . . . ?
C00J B02Y B04F B04G 1.3(5) . . . . ?
C00J B02Y B04F B031 38.0(3) . . . . ?
C00J B02Y B031 B02I -34.9(3) . . . . ?
C00J B02Y B031 B04F -136.5(4) . . . . ?
C00J B02Y B031 B04G -98.7(4) . . . . ?
C01G C01S C017 C02B 2.0(8) . . . . ?
C01G C01S C017 C03I -178.1(5) . . . . ?
C01J C02B C017 C01S -2.3(8) . . . . ?
C01J C02B C017 C03I 177.8(5) . . . . ?
C01M C020 B03E C00H -131.6(5) . . . . ?
C01M C020 B03E B02I 160.2(5) . . . . ?
C01M C020 B03E B03K 12.7(8) . . . . ?
C01M C020 B03E B04G 89.6(6) . . . . ?
C01M C020 B03E B038 -62.1(7) . . . . ?
C01M C030 C054 C04V 108.6(7) . . . . ?
C01S C01G C008 C00J 174.8(4) . . . . ?
C01S C01G C008 C01J -1.3(7) . . . . ?
C02B C01J C008 C00J -175.1(5) . . . . ?
C02B C01J C008 C01G 1.0(8) . . . . ?
C03T N00A C011 C00H 178.2(5) . . . . ?
C03T N00A C011 C03G -2.8(9) . . . . ?
C03T C040 C051 C03G -1.9(12) . . . . ?
C008 C00J B02I C00H -110.2(4) . . . . ?
C008 C00J B02I B03E -145.6(4) . . . . ?
C008 C00J B02I B04G 150.9(4) . . . . ?
C008 C00J B02I B031 112.7(4) . . . . ?
C008 C00J B02N C00H 109.3(4) . . . . ?
C008 C00J B02N B02R -150.8(4) . . . . ?
C008 C00J B02N B02Y -113.1(4) . . . . ?
C008 C00J B02N B038 146.1(4) . . . . ?
C008 C00J B02Y B02N 108.9(5) . . . . ?
C008 C00J B02Y B02R 146.8(4) . . . . ?
C008 C00J B02Y B04F -149.9(4) . . . . ?
C008 C00J B02Y B031 -111.4(5) . . . . ?
C008 C00J B031 B02I -106.9(5) . . . . ?
C008 C00J B031 B02Y 112.3(5) . . . . ?
C008 C00J B031 B04F 150.3(4) . . . . ?
C008 C00J B031 B04G -145.6(4) . . . . ?
C008 C01G C01S C017 -0.2(8) . . . . ?
C008 C01J C02B C017 0.8(9) . . . . ?
C011 N00A C03T C040 1.2(10) . . . . ?
C011 C00H C00J C008 -0.1(6) . . . . ?
C011 C00H C00J B02I -106.9(5) . . . . ?
C011 C00H C00J B02N 108.2(5) . . . . ?
C011 C00H C00J B02Y 147.5(4) . . . . ?
C011 C00H C00J B031 -146.3(4) . . . . ?
C011 C00H B02I C00J 108.4(4) . . . . ?
C011 C00H B02I B03E -111.9(4) . . . . ?
C011 C00H B02I B04G -152.0(4) . . . . ?
C011 C00H B02I B031 145.7(4) . . . . ?
C011 C00H B02N C00J -108.2(4) . . . . ?
C011 C00H B02N B02R 152.6(4) . . . . ?
C011 C00H B02N B02Y -144.8(4) . . . . ?
C011 C00H B02N B038 114.0(4) . . . . ?
C011 C00H B03E C020 0.1(6) . . . . ?
C011 C00H B03E B02I 106.9(5) . . . . ?
C011 C00H B03E B03K -152.2(4) . . . . ?
C011 C00H B03E B04G 146.2(4) . . . . ?
C011 C00H B03E B038 -113.4(4) . . . . ?
C011 C00H B038 B02N -107.3(5) . . . . ?
C011 C00H B038 B02R -145.7(4) . . . . ?
C011 C00H B038 B03E 110.3(5) . . . . ?
C011 C00H B038 B03K 150.7(4) . . . . ?
C011 C03G C051 C040 0.5(11) . . . . ?
C020 C01M C030 C04V -142.8(6) . . . . ?
C020 C01M C030 C054 149.7(5) . . . . ?
C020 B03E B03K B02R -146.8(5) . . . . ?
C020 B03E B03K B04F 149.7(5) . . . . ?
C020 B03E B03K B04G 112.4(6) . . . . ?
C020 B03E B03K B038 -110.0(6) . . . . ?
C020 B03E B04G B02I 104.5(5) . . . . ?
C020 B03E B04G B03K -118.9(5) . . . . ?
C020 B03E B04G B04F -155.6(4) . . . . ?
C020 B03E B04G B031 141.2(5) . . . . ?
C020 B03E B038 C00H -106.4(5) . . . . ?
C020 B03E B038 B02N -139.8(5) . . . . ?
C020 B03E B038 B02R 156.2(4) . . . . ?
C020 B03E B038 B03K 118.9(5) . . . . ?
C030 C01M C020 B03E -86.0(6) . . . . ?
C051 C03G C011 N00A 2.0(9) . . . . ?
C051 C03G C011 C00H -179.1(5) . . . . ?
C054 C04V C030 C01M -106.5(7) . . . . ?
B02I C00H C00J C008 106.8(5) . . . . ?
B02I C00H C00J B02N -144.8(4) . . . . ?
B02I C00H C00J B02Y -105.6(4) . . . . ?
B02I C00H C00J B031 -39.4(3) . . . . ?
B02I C00H C011 N00A 3.8(6) . . . . ?
B02I C00H C011 C03G -175.2(5) . . . . ?
B02I C00H B02N C00J 32.6(3) . . . . ?
B02I C00H B02N B02R -66.5(4) . . . . ?
B02I C00H B02N B02Y -4.0(5) . . . . ?
B02I C00H B02N B038 -105.1(4) . . . . ?
B02I C00H B03E C020 -106.8(5) . . . . ?
B02I C00H B03E B03K 100.9(4) . . . . ?
B02I C00H B03E B04G 39.3(3) . . . . ?
B02I C00H B03E B038 139.7(4) . . . . ?
B02I C00H B038 B02N 103.9(4) . . . . ?
B02I C00H B038 B02R 65.4(5) . . . . ?
B02I C00H B038 B03E -38.5(4) . . . . ?
B02I C00H B038 B03K 1.9(5) . . . . ?
B02I C00J C008 C01G 153.1(4) . . . . ?
B02I C00J C008 C01J -30.9(6) . . . . ?
B02I C00J B02N C00H -32.3(3) . . . . ?
B02I C00J B02N B02R 67.6(4) . . . . ?
B02I C00J B02N B02Y 105.3(4) . . . . ?
B02I C00J B02N B038 4.5(5) . . . . ?
B02I C00J B02Y B02N -102.6(4) . . . . ?
B02I C00J B02Y B02R -64.7(5) . . . . ?
B02I C00J B02Y B04F -1.4(5) . . . . ?
B02I C00J B02Y B031 37.1(4) . . . . ?
B02I C00J B031 B02Y -140.8(4) . . . . ?
B02I C00J B031 B04F -102.7(4) . . . . ?
B02I C00J B031 B04G -38.6(4) . . . . ?
B02I B03E B03K B02R 62.8(5) . . . . ?
B02I B03E B03K B04F -0.7(5) . . . . ?
B02I B03E B03K B04G -38.0(4) . . . . ?
B02I B03E B03K B038 99.7(4) . . . . ?
B02I B03E B04G B03K 136.6(4) . . . . ?
B02I B03E B04G B04F 99.9(4) . . . . ?
B02I B03E B04G B031 36.7(4) . . . . ?
B02I B03E B038 C00H 35.3(3) . . . . ?
B02I B03E B038 B02N 1.9(5) . . . . ?
B02I B03E B038 B02R -62.0(5) . . . . ?
B02I B03E B038 B03K -99.3(4) . . . . ?
B02I B04G B031 C00J 38.3(3) . . . . ?
B02I B04G B031 B02Y 100.3(4) . . . . ?
B02I B04G B031 B04F 137.4(4) . . . . ?
B02N C00H C00J C008 -108.3(5) . . . . ?
B02N C00H C00J B02I 144.8(4) . . . . ?
B02N C00H C00J B02Y 39.3(4) . . . . ?
B02N C00H C00J B031 105.5(4) . . . . ?
B02N C00H C011 N00A 142.7(5) . . . . ?
B02N C00H C011 C03G -36.4(6) . . . . ?
B02N C00H B02I C00J -32.8(3) . . . . ?
B02N C00H B02I B03E 106.9(4) . . . . ?
B02N C00H B02I B04G 66.8(5) . . . . ?
B02N C00H B02I B031 4.5(5) . . . . ?
B02N C00H B03E C020 150.0(4) . . . . ?
B02N C00H B03E B02I -103.2(4) . . . . ?
B02N C00H B03E B03K -2.3(5) . . . . ?
B02N C00H B03E B04G -63.9(4) . . . . ?
B02N C00H B03E B038 36.4(4) . . . . ?
B02N C00H B038 B02R -38.5(4) . . . . ?
B02N C00H B038 B03E -142.4(4) . . . . ?
B02N C00H B038 B03K -102.0(4) . . . . ?
B02N C00J C008 C01G 14.1(6) . . . . ?
B02N C00J C008 C01J -170.0(4) . . . . ?
B02N C00J B02I C00H 32.0(3) . . . . ?
B02N C00J B02I B03E -3.3(5) . . . . ?
B02N C00J B02I B04G -66.9(4) . . . . ?
B02N C00J B02I B031 -105.1(4) . . . . ?
B02N C00J B02Y B02R 37.9(4) . . . . ?
B02N C00J B02Y B04F 101.2(4) . . . . ?
B02N C00J B02Y B031 139.8(4) . . . . ?
B02N C00J B031 B02I 102.5(4) . . . . ?
B02N C00J B031 B02Y -38.3(4) . . . . ?
B02N C00J B031 B04F -0.2(5) . . . . ?
B02N C00J B031 B04G 63.8(5) . . . . ?
B02N B02R B02Y C00J -37.7(4) . . . . ?
B02N B02R B02Y B04F -137.5(4) . . . . ?
B02N B02R B02Y B031 -99.9(4) . . . . ?
B02N B02R B03K B03E -0.5(5) . . . . ?
B02N B02R B03K B04F 100.8(4) . . . . ?
B02N B02R B03K B04G 63.3(4) . . . . ?
B02N B02R B03K B038 -37.3(3) . . . . ?
B02N B02R B04F B02Y 37.9(4) . . . . ?
B02N B02R B04F B03K -99.5(4) . . . . ?
B02N B02R B04F B04G -62.3(5) . . . . ?
B02N B02R B04F B031 0.4(5) . . . . ?
B02N B02R B038 C00H 37.9(4) . . . . ?
B02N B02R B038 B03E 100.3(4) . . . . ?
B02N B02R B038 B03K 137.7(4) . . . . ?
B02N B02Y B04F B02R -37.8(4) . . . . ?
B02N B02Y B04F B03K 0.5(5) . . . . ?
B02N B02Y B04F B04G 63.7(5) . . . . ?
B02N B02Y B04F B031 100.4(4) . . . . ?
B02N B02Y B031 C00J 35.6(3) . . . . ?
B02N B02Y B031 B02I 0.7(5) . . . . ?
B02N B02Y B031 B04F -100.9(4) . . . . ?
B02N B02Y B031 B04G -63.1(5) . . . . ?
B02R B02N B02Y C00J 137.1(4) . . . . ?
B02R B02N B02Y B04F 38.0(4) . . . . ?
B02R B02N B02Y B031 101.6(4) . . . . ?
B02R B02N B038 C00H -136.4(4) . . . . ?
B02R B02N B038 B03E -103.0(4) . . . . ?
B02R B02N B038 B03K -38.3(4) . . . . ?
B02R B02Y B04F B03K 38.3(4) . . . . ?
B02R B02Y B04F B04G 101.6(4) . . . . ?
B02R B02Y B04F B031 138.2(4) . . . . ?
B02R B02Y B031 C00J 98.9(4) . . . . ?
B02R B02Y B031 B02I 64.0(5) . . . . ?
B02R B02Y B031 B04F -37.6(3) . . . . ?
B02R B02Y B031 B04G 0.2(5) . . . . ?
B02R B03K B04F B02Y -38.3(4) . . . . ?
B02R B03K B04F B04G -138.5(4) . . . . ?
B02R B03K B04F B031 -101.8(4) . . . . ?
B02R B03K B04G B02I -63.2(5) . . . . ?
B02R B03K B04G B03E -101.8(4) . . . . ?
B02R B03K B04G B04F 37.1(4) . . . . ?
B02R B03K B04G B031 0.1(5) . . . . ?
B02R B03K B038 C00H 99.9(4) . . . . ?
B02R B03K B038 B02N 37.9(3) . . . . ?
B02R B03K B038 B03E 139.3(4) . . . . ?
B02R B04F B04G B02I 63.0(5) . . . . ?
B02R B04F B04G B03E -0.4(5) . . . . ?
B02R B04F B04G B03K -37.4(4) . . . . ?
B02R B04F B04G B031 100.9(4) . . . . ?
B02R B04F B031 C00J -0.1(5) . . . . ?
B02R B04F B031 B02I -62.6(5) . . . . ?
B02R B04F B031 B02Y 37.6(4) . . . . ?
B02R B04F B031 B04G -100.9(4) . . . . ?
B02Y C00J C008 C01G -59.9(6) . . . . ?
B02Y C00J C008 C01J 116.0(5) . . . . ?
B02Y C00J B02I C00H 99.8(4) . . . . ?
B02Y C00J B02I B03E 64.5(4) . . . . ?
B02Y C00J B02I B04G 0.9(5) . . . . ?
B02Y C00J B02I B031 -37.3(4) . . . . ?
B02Y C00J B02N C00H -137.6(4) . . . . ?
B02Y C00J B02N B02R -37.7(4) . . . . ?
B02Y C00J B02N B038 -100.8(4) . . . . ?
B02Y C00J B031 B02I 140.8(4) . . . . ?
B02Y C00J B031 B04F 38.1(4) . . . . ?
B02Y C00J B031 B04G 102.1(4) . . . . ?
B02Y B02N B02R B03K -100.3(4) . . . . ?
B02Y B02N B02R B04F -37.5(4) . . . . ?
B02Y B02N B02R B038 -137.4(4) . . . . ?
B02Y B02N B038 C00H -98.5(4) . . . . ?
B02Y B02N B038 B02R 37.9(4) . . . . ?
B02Y B02N B038 B03E -65.1(5) . . . . ?
B02Y B02N B038 B03K -0.4(5) . . . . ?
B02Y B02R B03K B03E -63.9(4) . . . . ?
B02Y B02R B03K B04F 37.5(3) . . . . ?
B02Y B02R B03K B04G 0.0(5) . . . . ?
B02Y B02R B03K B038 -100.7(4) . . . . ?
B02Y B02R B04F B03K -137.4(4) . . . . ?
B02Y B02R B04F B04G -100.3(4) . . . . ?
B02Y B02R B04F B031 -37.6(4) . . . . ?
B02Y B02R B038 C00H -0.2(5) . . . . ?
B02Y B02R B038 B02N -38.1(4) . . . . ?
B02Y B02R B038 B03E 62.1(5) . . . . ?
B02Y B02R B038 B03K 99.5(4) . . . . ?
B02Y B04F B04G B02I -0.8(5) . . . . ?
B02Y B04F B04G B03E -64.2(5) . . . . ?
B02Y B04F B04G B03K -101.2(4) . . . . ?
B02Y B04F B04G B031 37.1(4) . . . . ?
B02Y B04F B031 C00J -37.7(3) . . . . ?
B02Y B04F B031 B02I -100.2(4) . . . . ?
B02Y B04F B031 B04G -138.5(4) . . . . ?
B03E C00H C00J C008 144.6(4) . . . . ?
B03E C00H C00J B02I 37.8(3) . . . . ?
B03E C00H C00J B02N -107.0(4) . . . . ?
B03E C00H C00J B02Y -67.8(4) . . . . ?
B03E C00H C00J B031 -1.6(5) . . . . ?
B03E C00H C011 N00A -68.5(6) . . . . ?
B03E C00H C011 C03G 112.4(6) . . . . ?
B03E C00H B02I C00J -139.7(4) . . . . ?
B03E C00H B02I B04G -40.1(4) . . . . ?
B03E C00H B02I B031 -102.4(4) . . . . ?
B03E C00H B02N C00J 101.2(4) . . . . ?
B03E C00H B02N B02R 2.0(5) . . . . ?
B03E C00H B02N B02Y 64.6(5) . . . . ?
B03E C00H B02N B038 -36.6(4) . . . . ?
B03E C00H B038 B02N 142.4(4) . . . . ?
B03E C00H B038 B02R 103.9(4) . . . . ?
B03E C00H B038 B03K 40.4(4) . . . . ?
B03E B02I B04G B03K -38.7(4) . . . . ?
B03E B02I B04G B04F -101.4(4) . . . . ?
B03E B02I B04G B031 -139.1(4) . . . . ?
B03E B02I B031 C00J -99.5(4) . . . . ?
B03E B02I B031 B02Y -64.8(5) . . . . ?
B03E B02I B031 B04F -1.7(5) . . . . ?
B03E B02I B031 B04G 37.0(4) . . . . ?
B03E B03K B04F B02R 101.4(4) . . . . ?
B03E B03K B04F B02Y 63.2(5) . . . . ?
B03E B03K B04F B04G -37.1(4) . . . . ?
B03E B03K B04F B031 -0.4(5) . . . . ?
B03E B03K B04G B02I 38.6(4) . . . . ?
B03E B03K B04G B04F 138.9(4) . . . . ?
B03E B03K B04G B031 101.9(4) . . . . ?
B03E B03K B038 C00H -39.4(3) . . . . ?
B03E B03K B038 B02N -101.3(4) . . . . ?
B03E B03K B038 B02R -139.3(4) . . . . ?
B03E B04G B031 C00J 1.5(5) . . . . ?
B03E B04G B031 B02I -36.7(4) . . . . ?
B03E B04G B031 B02Y 63.6(5) . . . . ?
B03E B04G B031 B04F 100.7(4) . . . . ?
B03K B02R B02Y C00J 62.1(4) . . . . ?
B03K B02R B02Y B02N 99.8(4) . . . . ?
B03K B02R B02Y B04F -37.7(4) . . . . ?
B03K B02R B02Y B031 -0.1(5) . . . . ?
B03K B02R B04F B02Y 137.4(4) . . . . ?
B03K B02R B04F B04G 37.1(4) . . . . ?
B03K B02R B04F B031 99.9(4) . . . . ?
B03K B02R B038 C00H -99.7(4) . . . . ?
B03K B02R B038 B02N -137.7(4) . . . . ?
B03K B02R B038 B03E -37.4(4) . . . . ?
B03K B03E B04G B02I -136.6(4) . . . . ?
B03K B03E B04G B04F -36.7(4) . . . . ?
B03K B03E B04G B031 -99.9(4) . . . . ?
B03K B03E B038 C00H 134.7(4) . . . . ?
B03K B03E B038 B02N 101.3(4) . . . . ?
B03K B03E B038 B02R 37.3(4) . . . . ?
B03K B04F B04G B02I 100.4(4) . . . . ?
B03K B04F B04G B03E 37.0(4) . . . . ?
B03K B04F B04G B031 138.3(4) . . . . ?
B03K B04F B031 C00J 63.8(5) . . . . ?
B03K B04F B031 B02I 1.3(5) . . . . ?
B03K B04F B031 B02Y 101.5(4) . . . . ?
B03K B04F B031 B04G -37.0(4) . . . . ?
B03K B04G B031 C00J -62.3(4) . . . . ?
B03K B04G B031 B02I -100.5(4) . . . . ?
B03K B04G B031 B02Y -0.2(5) . . . . ?
B03K B04G B031 B04F 36.9(3) . . . . ?
B04F B02R B02Y C00J 99.8(4) . . . . ?
B04F B02R B02Y B02N 137.5(4) . . . . ?
B04F B02R B02Y B031 37.6(4) . . . . ?
B04F B02R B03K B03E -101.3(4) . . . . ?
B04F B02R B03K B04G -37.5(4) . . . . ?
B04F B02R B03K B038 -138.1(4) . . . . ?
B04F B02R B038 C00H -62.6(5) . . . . ?
B04F B02R B038 B02N -100.5(4) . . . . ?
B04F B02R B038 B03E -0.3(5) . . . . ?
B04F B02R B038 B03K 37.1(3) . . . . ?
B04F B02Y B031 C00J 136.5(4) . . . . ?
B04F B02Y B031 B02I 101.6(4) . . . . ?
B04F B02Y B031 B04G 37.8(4) . . . . ?
B04F B03K B04G B02I -100.2(4) . . . . ?
B04F B03K B04G B03E -138.9(4) . . . . ?
B04F B03K B04G B031 -37.0(4) . . . . ?
B04F B03K B038 C00H 62.6(5) . . . . ?
B04F B03K B038 B02N 0.7(5) . . . . ?
B04F B03K B038 B02R -37.3(4) . . . . ?
B04F B03K B038 B03E 102.0(4) . . . . ?
B04F B04G B031 C00J -99.2(4) . . . . ?
B04F B04G B031 B02I -137.4(4) . . . . ?
B04F B04G B031 B02Y -37.1(4) . . . . ?
B04G B02I B03E C00H 134.5(4) . . . . ?
B04G B02I B03E C020 -116.2(5) . . . . ?
B04G B02I B03E B03K 38.1(4) . . . . ?
B04G B02I B03E B038 99.5(4) . . . . ?
B04G B02I B031 C00J -136.5(4) . . . . ?
B04G B02I B031 B02Y -101.8(4) . . . . ?
B04G B02I B031 B04F -38.8(4) . . . . ?
B04G B03E B03K B02R 100.8(4) . . . . ?
B04G B03E B03K B04F 37.3(4) . . . . ?
B04G B03E B03K B038 137.6(4) . . . . ?
B04G B03E B038 C00H 97.4(4) . . . . ?
B04G B03E B038 B02N 64.0(5) . . . . ?
B04G B03E B038 B02R 0.0(5) . . . . ?
B04G B03E B038 B03K -37.2(4) . . . . ?
B04G B03K B04F B02R 138.5(4) . . . . ?
B04G B03K B04F B02Y 100.3(4) . . . . ?
B04G B03K B04F B031 36.7(4) . . . . ?
B04G B03K B038 C00H -1.5(5) . . . . ?
B04G B03K B038 B02N -63.4(5) . . . . ?
B04G B03K B038 B02R -101.4(4) . . . . ?
B04G B03K B038 B03E 37.9(4) . . . . ?
B04G B04F B031 C00J 100.8(4) . . . . ?
B04G B04F B031 B02I 38.3(4) . . . . ?
B04G B04F B031 B02Y 138.5(4) . . . . ?
B031 C00J C008 C01G -134.6(5) . . . . ?
B031 C00J C008 C01J 41.4(6) . . . . ?
B031 C00J B02I C00H 137.1(4) . . . . ?
B031 C00J B02I B03E 101.7(4) . . . . ?
B031 C00J B02I B04G 38.2(3) . . . . ?
B031 C00J B02N C00H -99.4(4) . . . . ?
B031 C00J B02N B02R 0.5(5) . . . . ?
B031 C00J B02N B02Y 38.2(4) . . . . ?
B031 C00J B02N B038 -62.6(4) . . . . ?
B031 C00J B02Y B02N -139.8(4) . . . . ?
B031 C00J B02Y B02R -101.8(4) . . . . ?
B031 C00J B02Y B04F -38.5(4) . . . . ?
B031 B02I B03E C00H 97.9(4) . . . . ?
B031 B02I B03E C020 -152.8(4) . . . . ?
B031 B02I B03E B03K 1.5(5) . . . . ?
B031 B02I B03E B04G -36.6(4) . . . . ?
B031 B02I B03E B038 62.9(5) . . . . ?
B031 B02I B04G B03E 139.1(4) . . . . ?
B031 B02I B04G B03K 100.4(4) . . . . ?
B031 B02I B04G B04F 37.7(4) . . . . ?
B031 B02Y B04F B02R -138.2(4) . . . . ?
B031 B02Y B04F B03K -99.9(4) . . . . ?
B031 B02Y B04F B04G -36.7(4) . . . . ?
B031 B04F B04G B02I -37.9(3) . . . . ?
B031 B04F B04G B03E -101.3(4) . . . . ?
B031 B04F B04G B03K -138.3(4) . . . . ?
B038 C00H C00J C008 -147.8(4) . . . . ?
B038 C00H C00J B02I 105.4(4) . . . . ?
B038 C00H C00J B02N -39.4(4) . . . . ?
B038 C00H C00J B02Y -0.1(5) . . . . ?
B038 C00H C00J B031 66.0(4) . . . . ?
B038 C00H C011 N00A -143.7(5) . . . . ?
B038 C00H C011 C03G 37.2(7) . . . . ?
B038 C00H B02I C00J -101.1(4) . . . . ?
B038 C00H B02I B03E 38.7(4) . . . . ?
B038 C00H B02I B04G -1.5(5) . . . . ?
B038 C00H B02I B031 -63.8(5) . . . . ?
B038 C00H B02N C00J 137.8(4) . . . . ?
B038 C00H B02N B02R 38.6(3) . . . . ?
B038 C00H B02N B02Y 101.1(4) . . . . ?
B038 C00H B03E C020 113.5(5) . . . . ?
B038 C00H B03E B02I -139.7(4) . . . . ?
B038 C00H B03E B03K -38.7(3) . . . . ?
B038 C00H B03E B04G -100.3(4) . . . . ?
B038 B02N B02R B02Y 137.4(4) . . . . ?
B038 B02N B02R B03K 37.0(3) . . . . ?
B038 B02N B02R B04F 99.9(4) . . . . ?
B038 B02N B02Y C00J 99.0(4) . . . . ?
B038 B02N B02Y B02R -38.1(4) . . . . ?
B038 B02N B02Y B04F -0.1(5) . . . . ?
B038 B02N B02Y B031 63.5(5) . . . . ?
B038 B02R B02Y C00J 0.1(5) . . . . ?
B038 B02R B02Y B02N 37.8(4) . . . . ?
B038 B02R B02Y B04F -99.7(4) . . . . ?
B038 B02R B02Y B031 -62.1(5) . . . . ?
B038 B02R B03K B03E 36.8(4) . . . . ?
B038 B02R B03K B04F 138.1(4) . . . . ?
B038 B02R B03K B04G 100.7(4) . . . . ?
B038 B02R B04F B02Y 100.7(4) . . . . ?
B038 B02R B04F B03K -36.7(3) . . . . ?
B038 B02R B04F B04G 0.4(5) . . . . ?
B038 B02R B04F B031 63.1(5) . . . . ?
B038 B03E B03K B02R -36.8(4) . . . . ?
B038 B03E B03K B04F -100.3(4) . . . . ?
B038 B03E B03K B04G -137.6(4) . . . . ?
B038 B03E B04G B02I -99.7(4) . . . . ?
B038 B03E B04G B03K 36.9(4) . . . . ?
B038 B03E B04G B04F 0.2(5) . . . . ?
B038 B03E B04G B031 -63.0(5) . . . . ?
B038 B03K B04F B02R 37.5(4) . . . . ?
B038 B03K B04F B02Y -0.7(5) . . . . ?
B038 B03K B04F B04G -101.0(4) . . . . ?
B038 B03K B04F B031 -64.2(5) . . . . ?
B038 B03K B04G B02I 0.6(5) . . . . ?
B038 B03K B04G B03E -38.0(4) . . . . ?
B038 B03K B04G B04F 100.9(4) . . . . ?
B038 B03K B04G B031 63.9(5) . . . . ?
O006 C00V C01L B02X 97.3(6) . . . . ?
O006 C00V C01P C03W 40.2(8) . . . . ?
O006 C00V C01P C04Y -26.0(8) . . . . ?
N002 C01Q C023 C03F 0.5(9) . . . . ?
C00B C00D C00G C012 -1.9(6) . . . . ?
C00B C00D C00G B01R 106.6(5) . . . . ?
C00B C00D C00G B02U -109.0(5) . . . . ?
C00B C00D C00G B02X 143.9(4) . . . . ?
C00B C00D C00G B033 -147.4(4) . . . . ?
C00B C00D B01R C00G -110.1(4) . . . . ?
C00B C00D B01R B02F 113.3(4) . . . . ?
C00B C00D B01R B02X -144.7(4) . . . . ?
C00B C00D B01R B03Q 151.6(4) . . . . ?
C00B C00D B02F B01R -106.4(5) . . . . ?
C00B C00D B02F B03B 113.5(5) . . . . ?
C00B C00D B02F B03Q -144.4(4) . . . . ?
C00B C00D B02F B044 151.8(4) . . . . ?
C00B C00D B02U C00G 109.1(4) . . . . ?
C00B C00D B02U B03B -113.9(4) . . . . ?
C00B C00D B02U B033 144.6(4) . . . . ?
C00B C00D B02U B034 -152.9(4) . . . . ?
C00B C00D B03B B02F -111.8(5) . . . . ?
C00B C00D B03B B02U 108.4(5) . . . . ?
C00B C00D B03B B034 147.4(4) . . . . ?
C00B C00D B03B B044 -150.2(4) . . . . ?
C00B C01F C01N C00Z 0.3(8) . . . . ?
C00D C00B C01F C01N -175.8(4) . . . . ?
C00D C00B C015 C01U 176.4(4) . . . . ?
C00D C00G C012 N002 69.0(5) . . . . ?
C00D C00G C012 C01I -112.8(5) . . . . ?
C00D C00G B01R B02F 37.9(3) . . . . ?
C00D C00G B01R B02X 140.7(4) . . . . ?
C00D C00G B01R B03Q 100.9(4) . . . . ?
C00D C00G B02U B03B -37.5(3) . . . . ?
C00D C00G B02U B033 -139.1(4) . . . . ?
C00D C00G B02U B034 -99.9(4) . . . . ?
C00D C00G B02X C01L -144.2(4) . . . . ?
C00D C00G B02X B01R -36.3(3) . . . . ?
C00D C00G B02X B03O 64.5(4) . . . . ?
C00D C00G B02X B03Q 2.6(5) . . . . ?
C00D C00G B02X B033 103.4(4) . . . . ?
C00D C00G B033 B02U 37.8(3) . . . . ?
C00D C00G B033 B02X -104.6(4) . . . . ?
C00D C00G B033 B03O -64.5(4) . . . . ?
C00D C00G B033 B034 -1.7(5) . . . . ?
C00D B01R B02F B03B 35.2(3) . . . . ?
C00D B01R B02F B03Q 136.9(4) . . . . ?
C00D B01R B02F B044 98.1(4) . . . . ?
C00D B01R B02X C00G 35.1(3) . . . . ?
C00D B01R B02X C01L 143.0(4) . . . . ?
C00D B01R B02X B03O -61.0(4) . . . . ?
C00D B01R B02X B03Q -99.7(4) . . . . ?
C00D B01R B02X B033 0.6(5) . . . . ?
C00D B01R B03Q B02F -37.8(3) . . . . ?
C00D B01R B03Q B02X 101.5(4) . . . . ?
C00D B01R B03Q B03O 62.2(4) . . . . ?
C00D B01R B03Q B044 0.0(5) . . . . ?
C00D B02F B03B B02U 35.7(3) . . . . ?
C00D B02F B03B B034 98.6(4) . . . . ?
C00D B02F B03B B044 136.3(4) . . . . ?
C00D B02F B03Q B01R 37.9(3) . . . . ?
C00D B02F B03Q B02X 1.0(5) . . . . ?
C00D B02F B03Q B03O -62.8(4) . . . . ?
C00D B02F B03Q B044 -99.1(4) . . . . ?
C00D B02F B044 B03B -38.0(3) . . . . ?
C00D B02F B044 B03O 63.7(5) . . . . ?
C00D B02F B044 B03Q 100.7(4) . . . . ?
C00D B02F B044 B034 0.0(5) . . . . ?
C00D B02U B03B B02F -35.3(3) . . . . ?
C00D B02U B03B B034 -135.5(4) . . . . ?
C00D B02U B03B B044 -98.5(4) . . . . ?
C00D B02U B033 C00G -36.0(3) . . . . ?
C00D B02U B033 B02X -2.4(5) . . . . ?
C00D B02U B033 B03O 61.9(4) . . . . ?
C00D B02U B033 B034 98.9(4) . . . . ?
C00D B02U B034 B03B 38.6(3) . . . . ?
C00D B02U B034 B03O -63.0(4) . . . . ?
C00D B02U B034 B033 -100.3(4) . . . . ?
C00D B02U B034 B044 1.1(5) . . . . ?
C00D B03B B034 B02U -39.0(4) . . . . ?
C00D B03B B034 B03O 62.5(5) . . . . ?
C00D B03B B034 B033 -1.7(5) . . . . ?
C00D B03B B034 B044 99.4(4) . . . . ?
C00D B03B B044 B02F 37.9(3) . . . . ?
C00D B03B B044 B03O -62.9(4) . . . . ?
C00D B03B B044 B03Q 1.0(5) . . . . ?
C00D B03B B044 B034 -99.6(4) . . . . ?
C00G C00D B01R B02F -136.7(4) . . . . ?
C00G C00D B01R B02X -34.7(3) . . . . ?
C00G C00D B01R B03Q -98.3(4) . . . . ?
C00G C00D B02F B01R 38.7(3) . . . . ?
C00G C00D B02F B03B -101.4(4) . . . . ?
C00G C00D B02F B03Q 0.6(4) . . . . ?
C00G C00D B02F B044 -63.1(4) . . . . ?
C00G C00D B02U B03B 137.0(4) . . . . ?
C00G C00D B02U B033 35.5(3) . . . . ?
C00G C00D B02U B034 98.0(4) . . . . ?
C00G C00D B03B B02F 101.6(4) . . . . ?
C00G C00D B03B B02U -38.3(3) . . . . ?
C00G C00D B03B B034 0.7(5) . . . . ?
C00G C00D B03B B044 63.1(4) . . . . ?
C00G B01R B02F C00D -38.1(3) . . . . ?
C00G B01R B02F B03B -2.9(5) . . . . ?
C00G B01R B02F B03Q 98.8(4) . . . . ?
C00G B01R B02F B044 60.0(4) . . . . ?
C00G B01R B02X C01L 107.9(5) . . . . ?
C00G B01R B02X B03O -96.1(4) . . . . ?
C00G B01R B02X B03Q -134.8(4) . . . . ?
C00G B01R B02X B033 -34.5(3) . . . . ?
C00G B01R B03Q B02F -100.2(4) . . . . ?
C00G B01R B03Q B02X 39.0(3) . . . . ?
C00G B01R B03Q B03O -0.2(5) . . . . ?
C00G B01R B03Q B044 -62.4(4) . . . . ?
C00G B02U B03B C00D 37.7(3) . . . . ?
C00G B02U B03B B02F 2.4(5) . . . . ?
C00G B02U B03B B034 -97.9(4) . . . . ?
C00G B02U B03B B044 -60.8(4) . . . . ?
C00G B02U B033 B02X 33.6(3) . . . . ?
C00G B02U B033 B03O 97.9(4) . . . . ?
C00G B02U B033 B034 134.9(4) . . . . ?
C00G B02U B034 B03B 100.4(4) . . . . ?
C00G B02U B034 B03O -1.2(5) . . . . ?
C00G B02U B034 B033 -38.4(3) . . . . ?
C00G B02U B034 B044 62.9(4) . . . . ?
C00G B02X B03O B03Q -98.9(4) . . . . ?
C00G B02X B03O B033 38.2(3) . . . . ?
C00G B02X B03O B034 1.5(5) . . . . ?
C00G B02X B03O B044 -61.6(5) . . . . ?
C00G B02X B03Q B01R -38.7(3) . . . . ?
C00G B02X B03Q B02F -2.1(5) . . . . ?
C00G B02X B03Q B03O 97.4(4) . . . . ?
C00G B02X B03Q B044 60.9(4) . . . . ?
C00G B02X B033 B02U -33.8(3) . . . . ?
C00G B02X B033 B03O -134.6(4) . . . . ?
C00G B02X B033 B034 -97.3(4) . . . . ?
C00G B033 B034 B02U 39.3(4) . . . . ?
C00G B033 B034 B03B 2.1(5) . . . . ?
C00G B033 B034 B03O -99.5(4) . . . . ?
C00G B033 B034 B044 -62.0(5) . . . . ?
C00V C01L B02X C00G -139.1(4) . . . . ?
C00V C01L B02X B01R 153.1(4) . . . . ?
C00V C01L B02X B03O 3.6(8) . . . . ?
C00V C01L B02X B03Q 82.1(6) . . . . ?
C00V C01L B02X B033 -71.1(6) . . . . ?
C00V C01P C03W C04Y -109.0(6) . . . . ?
C00V C01P C04Y C03W 105.1(6) . . . . ?
C00Z C01U C015 C00B -2.0(8) . . . . ?
C01F C00B C00D C00G -105.6(5) . . . . ?
C01F C00B C00D B01R -36.2(6) . . . . ?
C01F C00B C00D B02F 35.7(6) . . . . ?
C01F C00B C00D B02U -175.4(4) . . . . ?
C01F C00B C00D B03B 111.4(5) . . . . ?
C01F C00B C015 C01U 1.4(7) . . . . ?
C01I C03F C023 C01Q 0.8(10) . . . . ?
C01L C00V C01P C03W -139.9(5) . . . . ?
C01L C00V C01P C04Y 154.0(5) . . . . ?
C01L B02X B03O B03Q 114.2(6) . . . . ?
C01L B02X B03O B033 -108.7(6) . . . . ?
C01L B02X B03O B034 -145.4(5) . . . . ?
C01L B02X B03O B044 151.5(5) . . . . ?
C01L B02X B03Q B01R 104.8(5) . . . . ?
C01L B02X B03Q B02F 141.3(5) . . . . ?
C01L B02X B03Q B03O -119.1(5) . . . . ?
C01L B02X B03Q B044 -155.7(4) . . . . ?
C01L B02X B033 C00G -105.6(5) . . . . ?
C01L B02X B033 B02U -139.4(4) . . . . ?
C01L B02X B033 B03O 119.8(5) . . . . ?
C01L B02X B033 B034 157.1(4) . . . . ?
C01N C00Z C01U C015 1.6(8) . . . . ?
C01P C00V C01L B02X -82.6(6) . . . . ?
C01Q N002 C012 C00G 179.0(4) . . . . ?
C01Q N002 C012 C01I 0.9(7) . . . . ?
C01U C00Z C01N C01F -0.8(8) . . . . ?
C03A C00Z C01N C01F 179.7(5) . . . . ?
C03A C00Z C01U C015 -178.9(5) . . . . ?
C03F C01I C012 N002 0.4(8) . . . . ?
C03F C01I C012 C00G -177.7(5) . . . . ?
C012 N002 C01Q C023 -1.3(8) . . . . ?
C012 C00G B01R C00D 105.9(4) . . . . ?
C012 C00G B01R B02F 143.7(4) . . . . ?
C012 C00G B01R B02X -113.4(4) . . . . ?
C012 C00G B01R B03Q -153.2(4) . . . . ?
C012 C00G B02U C00D -106.6(4) . . . . ?
C012 C00G B02U B03B -144.1(4) . . . . ?
C012 C00G B02U B033 114.2(4) . . . . ?
C012 C00G B02U B034 153.4(4) . . . . ?
C012 C00G B02X C01L -0.6(6) . . . . ?
C012 C00G B02X B01R 107.3(5) . . . . ?
C012 C00G B02X B03O -151.8(4) . . . . ?
C012 C00G B02X B03Q 146.3(4) . . . . ?
C012 C00G B02X B033 -113.0(5) . . . . ?
C012 C00G B033 B02U -105.3(5) . . . . ?
C012 C00G B033 B02X 112.3(5) . . . . ?
C012 C00G B033 B03O 152.5(4) . . . . ?
C012 C00G B033 B034 -144.7(4) . . . . ?
C012 C01I C03F C023 -1.2(9) . . . . ?
C015 C00B C00D C00G 79.5(6) . . . . ?
C015 C00B C00D B01R 148.8(4) . . . . ?
C015 C00B C00D B02F -139.2(5) . . . . ?
C015 C00B C00D B02U 9.6(6) . . . . ?
C015 C00B C00D B03B -63.6(6) . . . . ?
C015 C00B C01F C01N -0.6(7) . . . . ?
B01R C00D C00G C012 -108.5(4) . . . . ?
B01R C00D C00G B02U 144.4(4) . . . . ?
B01R C00D C00G B02X 37.3(3) . . . . ?
B01R C00D C00G B033 106.0(4) . . . . ?
B01R C00D B02F B03B -140.1(4) . . . . ?
B01R C00D B02F B03Q -38.1(3) . . . . ?
B01R C00D B02F B044 -101.9(4) . . . . ?
B01R C00D B02U C00G -32.6(3) . . . . ?
B01R C00D B02U B03B 104.4(4) . . . . ?
B01R C00D B02U B033 2.9(5) . . . . ?
B01R C00D B02U B034 65.3(4) . . . . ?
B01R C00D B03B B02F 37.4(4) . . . . ?
B01R C00D B03B B02U -102.4(4) . . . . ?
B01R C00D B03B B034 -63.5(5) . . . . ?
B01R C00D B03B B044 -1.0(5) . . . . ?
B01R C00G C012 N002 0.4(6) . . . . ?
B01R C00G C012 C01I 178.6(4) . . . . ?
B01R C00G B02U C00D 33.1(3) . . . . ?
B01R C00G B02U B03B -4.4(5) . . . . ?
B01R C00G B02U B033 -106.0(4) . . . . ?
B01R C00G B02U B034 -66.8(4) . . . . ?
B01R C00G B02X C01L -107.9(5) . . . . ?
B01R C00G B02X B03O 100.8(4) . . . . ?
B01R C00G B02X B03Q 38.9(3) . . . . ?
B01R C00G B02X B033 139.7(4) . . . . ?
B01R C00G B033 B02U 103.5(4) . . . . ?
B01R C00G B033 B02X -38.9(4) . . . . ?
B01R C00G B033 B03O 1.3(5) . . . . ?
B01R C00G B033 B034 64.1(5) . . . . ?
B01R B02F B03B C00D -35.4(3) . . . . ?
B01R B02F B03B B02U 0.3(5) . . . . ?
B01R B02F B03B B034 63.2(5) . . . . ?
B01R B02F B03B B044 100.9(4) . . . . ?
B01R B02F B03Q B02X -36.9(3) . . . . ?
B01R B02F B03Q B03O -100.7(4) . . . . ?
B01R B02F B03Q B044 -137.0(4) . . . . ?
B01R B02F B044 B03B -100.3(4) . . . . ?
B01R B02F B044 B03O 1.3(5) . . . . ?
B01R B02F B044 B03Q 38.3(4) . . . . ?
B01R B02F B044 B034 -62.4(5) . . . . ?
B01R B02X B03O B03Q -38.2(4) . . . . ?
B01R B02X B03O B033 98.8(4) . . . . ?
B01R B02X B03O B034 62.1(5) . . . . ?
B01R B02X B03O B044 -0.9(5) . . . . ?
B01R B02X B03Q B02F 36.5(4) . . . . ?
B01R B02X B03Q B03O 136.1(4) . . . . ?
B01R B02X B03Q B044 99.6(4) . . . . ?
B01R B02X B033 C00G 34.9(3) . . . . ?
B01R B02X B033 B02U 1.2(5) . . . . ?
B01R B02X B033 B03O -99.7(4) . . . . ?
B01R B02X B033 B034 -62.4(5) . . . . ?
B01R B03Q B044 B02F -38.0(3) . . . . ?
B01R B03Q B044 B03B -0.7(5) . . . . ?
B01R B03Q B044 B03O 100.8(4) . . . . ?
B01R B03Q B044 B034 62.8(5) . . . . ?
B02F C00D C00G C012 -148.0(4) . . . . ?
B02F C00D C00G B01R -39.4(3) . . . . ?
B02F C00D C00G B02U 105.0(4) . . . . ?
B02F C00D C00G B02X -2.1(4) . . . . ?
B02F C00D C00G B033 66.6(4) . . . . ?
B02F C00D B01R C00G 136.7(4) . . . . ?
B02F C00D B01R B02X 102.0(4) . . . . ?
B02F C00D B01R B03Q 38.4(3) . . . . ?
B02F C00D B02U C00G -99.1(4) . . . . ?
B02F C00D B02U B03B 37.9(4) . . . . ?
B02F C00D B02U B033 -63.6(4) . . . . ?
B02F C00D B02U B034 -1.1(5) . . . . ?
B02F C00D B03B B02U -139.8(4) . . . . ?
B02F C00D B03B B034 -100.9(4) . . . . ?
B02F C00D B03B B044 -38.4(3) . . . . ?
B02F B01R B02X C00G 97.9(4) . . . . ?
B02F B01R B02X C01L -154.2(4) . . . . ?
B02F B01R B02X B03O 1.7(5) . . . . ?
B02F B01R B02X B03Q -36.9(4) . . . . ?
B02F B01R B02X B033 63.3(4) . . . . ?
B02F B01R B03Q B02X 139.3(4) . . . . ?
B02F B01R B03Q B03O 100.1(4) . . . . ?
B02F B01R B03Q B044 37.8(3) . . . . ?
B02F B03B B034 B02U -100.6(4) . . . . ?
B02F B03B B034 B03O 1.0(5) . . . . ?
B02F B03B B034 B033 -63.3(5) . . . . ?
B02F B03B B034 B044 37.8(4) . . . . ?
B02F B03B B044 B03O -100.8(4) . . . . ?
B02F B03B B044 B03Q -36.9(4) . . . . ?
B02F B03B B044 B034 -137.5(4) . . . . ?
B02F B03Q B044 B03B 37.3(4) . . . . ?
B02F B03Q B044 B03O 138.8(4) . . . . ?
B02F B03Q B044 B034 100.8(4) . . . . ?
B02U C00D C00G C012 107.1(4) . . . . ?
B02U C00D C00G B01R -144.4(4) . . . . ?
B02U C00D C00G B02X -107.1(4) . . . . ?
B02U C00D C00G B033 -38.4(4) . . . . ?
B02U C00D B01R C00G 32.5(3) . . . . ?
B02U C00D B01R B02F -104.1(4) . . . . ?
B02U C00D B01R B02X -2.2(5) . . . . ?
B02U C00D B01R B03Q -65.8(4) . . . . ?
B02U C00D B02F B01R 102.6(4) . . . . ?
B02U C00D B02F B03B -37.5(4) . . . . ?
B02U C00D B02F B03Q 64.5(4) . . . . ?
B02U C00D B02F B044 0.7(5) . . . . ?
B02U C00D B03B B02F 139.8(4) . . . . ?
B02U C00D B03B B034 39.0(4) . . . . ?
B02U C00D B03B B044 101.4(4) . . . . ?
B02U C00G C012 N002 137.8(4) . . . . ?
B02U C00G C012 C01I -44.0(6) . . . . ?
B02U C00G B01R C00D -33.3(3) . . . . ?
B02U C00G B01R B02F 4.6(5) . . . . ?
B02U C00G B01R B02X 107.4(4) . . . . ?
B02U C00G B01R B03Q 67.6(4) . . . . ?
B02U C00G B02X C01L 148.9(4) . . . . ?
B02U C00G B02X B01R -103.2(4) . . . . ?
B02U C00G B02X B03O -2.4(5) . . . . ?
B02U C00G B02X B03Q -64.3(4) . . . . ?
B02U C00G B02X B033 36.5(4) . . . . ?
B02U C00G B033 B02X -142.4(4) . . . . ?
B02U C00G B033 B03O -102.3(4) . . . . ?
B02U C00G B033 B034 -39.4(4) . . . . ?
B02U B03B B034 B03O 101.5(4) . . . . ?
B02U B03B B034 B033 37.3(4) . . . . ?
B02U B03B B034 B044 138.3(4) . . . . ?
B02U B03B B044 B02F 100.5(4) . . . . ?
B02U B03B B044 B03O -0.3(5) . . . . ?
B02U B03B B044 B03Q 63.6(5) . . . . ?
B02U B03B B044 B034 -37.0(4) . . . . ?
B02U B033 B034 B03B -37.2(4) . . . . ?
B02U B033 B034 B03O -138.8(4) . . . . ?
B02U B033 B034 B044 -101.3(4) . . . . ?
B02U B034 B044 B02F -0.7(5) . . . . ?
B02U B034 B044 B03B 37.6(4) . . . . ?
B02U B034 B044 B03O -101.7(4) . . . . ?
B02U B034 B044 B03Q -63.7(5) . . . . ?
B02X C00G C012 N002 -73.2(5) . . . . ?
B02X C00G C012 C01I 105.0(5) . . . . ?
B02X C00G B01R C00D -140.7(4) . . . . ?
B02X C00G B01R B02F -102.9(4) . . . . ?
B02X C00G B01R B03Q -39.8(3) . . . . ?
B02X C00G B02U C00D 102.2(4) . . . . ?
B02X C00G B02U B03B 64.7(4) . . . . ?
B02X C00G B02U B033 -36.9(4) . . . . ?
B02X C00G B02U B034 2.3(5) . . . . ?
B02X C00G B033 B02U 142.4(4) . . . . ?
B02X C00G B033 B03O 40.1(3) . . . . ?
B02X C00G B033 B034 103.0(4) . . . . ?
B02X B01R B02F C00D -100.0(4) . . . . ?
B02X B01R B02F B03B -64.8(5) . . . . ?
B02X B01R B02F B03Q 36.9(4) . . . . ?
B02X B01R B02F B044 -1.9(5) . . . . ?
B02X B01R B03Q B02F -139.3(4) . . . . ?
B02X B01R B03Q B03O -39.2(4) . . . . ?
B02X B01R B03Q B044 -101.4(4) . . . . ?
B02X B03O B03Q B01R 39.3(4) . . . . ?
B02X B03O B03Q B02F 102.2(4) . . . . ?
B02X B03O B03Q B044 138.7(4) . . . . ?
B02X B03O B033 C00G -39.4(3) . . . . ?
B02X B03O B033 B02U -101.9(4) . . . . ?
B02X B03O B033 B034 -138.7(4) . . . . ?
B02X B03O B034 B02U -0.2(5) . . . . ?
B02X B03O B034 B03B -64.5(5) . . . . ?
B02X B03O B034 B033 37.1(4) . . . . ?
B02X B03O B034 B044 -101.3(4) . . . . ?
B02X B03O B044 B02F -0.2(5) . . . . ?
B02X B03O B044 B03B 64.0(5) . . . . ?
B02X B03O B044 B03Q -37.0(4) . . . . ?
B02X B03O B044 B034 100.5(4) . . . . ?
B02X B03Q B044 B02F -101.7(4) . . . . ?
B02X B03Q B044 B03B -64.4(5) . . . . ?
B02X B03Q B044 B03O 37.1(4) . . . . ?
B02X B03Q B044 B034 -1.0(5) . . . . ?
B02X B033 B034 B02U 101.4(4) . . . . ?
B02X B033 B034 B03B 64.2(5) . . . . ?
B02X B033 B034 B03O -37.4(4) . . . . ?
B02X B033 B034 B044 0.1(5) . . . . ?
B03B C00D C00G C012 146.1(4) . . . . ?
B03B C00D C00G B01R -105.4(4) . . . . ?
B03B C00D C00G B02U 39.0(3) . . . . ?
B03B C00D C00G B02X -68.1(4) . . . . ?
B03B C00D C00G B033 0.6(5) . . . . ?
B03B C00D B01R C00G 98.9(4) . . . . ?
B03B C00D B01R B02F -37.7(3) . . . . ?
B03B C00D B01R B02X 64.2(4) . . . . ?
B03B C00D B01R B03Q 0.6(5) . . . . ?
B03B C00D B02F B01R 140.1(4) . . . . ?
B03B C00D B02F B03Q 102.0(4) . . . . ?
B03B C00D B02F B044 38.3(3) . . . . ?
B03B C00D B02U C00G -137.0(4) . . . . ?
B03B C00D B02U B033 -101.6(4) . . . . ?
B03B C00D B02U B034 -39.1(4) . . . . ?
B03B B02F B03Q B01R 100.1(4) . . . . ?
B03B B02F B03Q B02X 63.2(5) . . . . ?
B03B B02F B03Q B03O -0.6(5) . . . . ?
B03B B02F B03Q B044 -36.9(3) . . . . ?
B03B B02F B044 B03O 101.7(4) . . . . ?
B03B B02F B044 B03Q 138.7(4) . . . . ?
B03B B02F B044 B034 38.0(4) . . . . ?
B03B B02U B033 C00G -98.1(4) . . . . ?
B03B B02U B033 B02X -64.5(5) . . . . ?
B03B B02U B033 B03O -0.2(5) . . . . ?
B03B B02U B033 B034 36.8(4) . . . . ?
B03B B02U B034 B03O -101.6(4) . . . . ?
B03B B02U B034 B033 -138.9(4) . . . . ?
B03B B02U B034 B044 -37.5(4) . . . . ?
B03B B034 B044 B02F -38.2(4) . . . . ?
B03B B034 B044 B03O -139.3(4) . . . . ?
B03B B034 B044 B03Q -101.2(4) . . . . ?
B03O B02X B03Q B01R -136.1(4) . . . . ?
B03O B02X B03Q B02F -99.6(4) . . . . ?
B03O B02X B03Q B044 -36.5(4) . . . . ?
B03O B02X B033 C00G 134.6(4) . . . . ?
B03O B02X B033 B02U 100.8(4) . . . . ?
B03O B02X B033 B034 37.3(4) . . . . ?
B03O B03Q B044 B02F -138.8(4) . . . . ?
B03O B03Q B044 B03B -101.5(4) . . . . ?
B03O B03Q B044 B034 -38.0(4) . . . . ?
B03O B033 B034 B02U 138.8(4) . . . . ?
B03O B033 B034 B03B 101.6(4) . . . . ?
B03O B033 B034 B044 37.5(4) . . . . ?
B03O B034 B044 B02F 101.1(4) . . . . ?
B03O B034 B044 B03B 139.3(4) . . . . ?
B03O B034 B044 B03Q 38.1(4) . . . . ?
B03Q B01R B02F C00D -136.9(4) . . . . ?
B03Q B01R B02F B03B -101.7(4) . . . . ?
B03Q B01R B02F B044 -38.8(4) . . . . ?
B03Q B01R B02X C00G 134.8(4) . . . . ?
B03Q B01R B02X C01L -117.3(5) . . . . ?
B03Q B01R B02X B03O 38.6(4) . . . . ?
B03Q B01R B02X B033 100.3(4) . . . . ?
B03Q B02F B03B C00D -98.8(4) . . . . ?
B03Q B02F B03B B02U -63.0(4) . . . . ?
B03Q B02F B03B B034 -0.2(5) . . . . ?
B03Q B02F B03B B044 37.5(4) . . . . ?
B03Q B02F B044 B03B -138.7(4) . . . . ?
B03Q B02F B044 B03O -37.0(4) . . . . ?
B03Q B02F B044 B034 -100.7(4) . . . . ?
B03Q B02X B03O B033 137.1(4) . . . . ?
B03Q B02X B03O B034 100.4(4) . . . . ?
B03Q B02X B03O B044 37.3(4) . . . . ?
B03Q B02X B033 C00G 96.6(4) . . . . ?
B03Q B02X B033 B02U 62.9(5) . . . . ?
B03Q B02X B033 B03O -37.9(3) . . . . ?
B03Q B02X B033 B034 -0.7(5) . . . . ?
B03Q B03O B033 C00G -1.3(5) . . . . ?
B03Q B03O B033 B02U -63.8(5) . . . . ?
B03Q B03O B033 B02X 38.1(4) . . . . ?
B03Q B03O B033 B034 -100.6(4) . . . . ?
B03Q B03O B034 B02U 62.9(5) . . . . ?
B03Q B03O B034 B03B -1.4(5) . . . . ?
B03Q B03O B034 B033 100.2(4) . . . . ?
B03Q B03O B034 B044 -38.1(4) . . . . ?
B03Q B03O B044 B02F 36.7(4) . . . . ?
B03Q B03O B044 B03B 100.9(4) . . . . ?
B03Q B03O B044 B034 137.5(4) . . . . ?
B033 C00G C012 N002 -149.7(4) . . . . ?
B033 C00G C012 C01I 28.5(7) . . . . ?
B033 C00G B01R C00D -101.6(4) . . . . ?
B033 C00G B01R B02F -63.7(5) . . . . ?
B033 C00G B01R B02X 39.1(4) . . . . ?
B033 C00G B01R B03Q -0.7(5) . . . . ?
B033 C00G B02U C00D 139.1(4) . . . . ?
B033 C00G B02U B03B 101.6(4) . . . . ?
B033 C00G B02U B034 39.2(3) . . . . ?
B033 C00G B02X C01L 112.4(5) . . . . ?
B033 C00G B02X B01R -139.7(4) . . . . ?
B033 C00G B02X B03O -38.9(3) . . . . ?
B033 C00G B02X B03Q -100.8(4) . . . . ?
B033 B02U B03B C00D 98.8(4) . . . . ?
B033 B02U B03B B02F 63.5(4) . . . . ?
B033 B02U B03B B034 -36.7(4) . . . . ?
B033 B02U B03B B044 0.3(5) . . . . ?
B033 B02U B034 B03B 138.9(4) . . . . ?
B033 B02U B034 B03O 37.3(4) . . . . ?
B033 B02U B034 B044 101.4(4) . . . . ?
B033 B02X B03O B03Q -137.1(4) . . . . ?
B033 B02X B03O B034 -36.7(4) . . . . ?
B033 B02X B03O B044 -99.7(4) . . . . ?
B033 B02X B03Q B01R -98.5(4) . . . . ?
B033 B02X B03Q B02F -62.0(5) . . . . ?
B033 B02X B03Q B03O 37.6(4) . . . . ?
B033 B02X B03Q B044 1.0(5) . . . . ?
B033 B03O B03Q B01R 0.9(5) . . . . ?
B033 B03O B03Q B02F 63.8(4) . . . . ?
B033 B03O B03Q B02X -38.4(4) . . . . ?
B033 B03O B03Q B044 100.3(4) . . . . ?
B033 B03O B034 B02U -37.3(3) . . . . ?
B033 B03O B034 B03B -101.6(4) . . . . ?
B033 B03O B034 B044 -138.4(4) . . . . ?
B033 B03O B044 B02F -64.0(5) . . . . ?
B033 B03O B044 B03B 0.2(5) . . . . ?
B033 B03O B044 B03Q -100.8(4) . . . . ?
B033 B03O B044 B034 36.8(4) . . . . ?
B033 B034 B044 B02F 63.5(5) . . . . ?
B033 B034 B044 B03B 101.8(4) . . . . ?
B033 B034 B044 B03O -37.5(4) . . . . ?
B033 B034 B044 B03Q 0.5(5) . . . . ?
B034 B02U B03B C00D 135.5(4) . . . . ?
B034 B02U B03B B02F 100.2(4) . . . . ?
B034 B02U B03B B044 37.1(4) . . . . ?
B034 B02U B033 C00G -134.9(4) . . . . ?
B034 B02U B033 B02X -101.4(4) . . . . ?
B034 B02U B033 B03O -37.1(4) . . . . ?
B034 B03B B044 B02F 137.5(4) . . . . ?
B034 B03B B044 B03O 36.7(4) . . . . ?
B034 B03B B044 B03Q 100.6(4) . . . . ?
B034 B03O B03Q B01R -61.7(5) . . . . ?
B034 B03O B03Q B02F 1.2(5) . . . . ?
B034 B03O B03Q B02X -101.0(4) . . . . ?
B034 B03O B03Q B044 37.7(4) . . . . ?
B034 B03O B033 C00G 99.3(4) . . . . ?
B034 B03O B033 B02U 36.8(3) . . . . ?
B034 B03O B033 B02X 138.7(4) . . . . ?
B034 B03O B044 B02F -100.8(4) . . . . ?
B034 B03O B044 B03B -36.6(4) . . . . ?
B034 B03O B044 B03Q -137.5(4) . . . . ?
B044 B02F B03B C00D -136.3(4) . . . . ?
B044 B02F B03B B02U -100.6(4) . . . . ?
B044 B02F B03B B034 -37.7(3) . . . . ?
B044 B02F B03Q B01R 137.0(4) . . . . ?
B044 B02F B03Q B02X 100.1(4) . . . . ?
B044 B02F B03Q B03O 36.3(3) . . . . ?
B044 B03B B034 B02U -138.3(4) . . . . ?
B044 B03B B034 B03O -36.8(4) . . . . ?
B044 B03B B034 B033 -101.1(5) . . . . ?
B044 B03O B03Q B01R -99.4(4) . . . . ?
B044 B03O B03Q B02F -36.5(3) . . . . ?
B044 B03O B03Q B02X -138.7(4) . . . . ?
B044 B03O B033 C00G 62.5(5) . . . . ?
B044 B03O B033 B02U 0.0(5) . . . . ?
B044 B03O B033 B02X 101.9(4) . . . . ?
B044 B03O B033 B034 -36.8(4) . . . . ?
B044 B03O B034 B02U 101.1(4) . . . . ?
B044 B03O B034 B03B 36.8(4) . . . . ?
B044 B03O B034 B033 138.4(4) . . . . ?
O00F C01H C01Y B03L -94.1(7) . . . . ?
O00F C01H C03N C04K -33.8(10) . . . . ?
O00F C01H C03N C056 32.5(9) . . . . ?
N005 C00T C00W C00I -72.7(5) . . . . ?
N005 C00T C00W B02T -3.7(6) . . . . ?
N005 C00T C00W B03L 71.2(6) . . . . ?
N005 C00T C00W B04B 147.1(4) . . . . ?
N005 C00T C00W B04H -141.3(4) . . . . ?
N005 C00T C028 C02J 0.8(8) . . . . ?
N005 C01X C02D C02J -1.2(9) . . . . ?
C00E C00I C00W C00T 1.2(6) . . . . ?
C00E C00I C00W B02T -108.7(4) . . . . ?
C00E C00I C00W B03L -146.8(4) . . . . ?
C00E C00I C00W B04B 145.6(4) . . . . ?
C00E C00I C00W B04H 107.1(4) . . . . ?
C00E C00I B02T C00W 107.4(4) . . . . ?
C00E C00I B02T B03L 142.9(4) . . . . ?
C00E C00I B02T B04S -153.7(4) . . . . ?
C00E C00I B02T B048 -115.3(5) . . . . ?
C00E C00I B04H C00W -107.8(4) . . . . ?
C00E C00I B04H B04B -144.0(4) . . . . ?
C00E C00I B04H B04R 114.2(4) . . . . ?
C00E C00I B04H B04X 151.9(4) . . . . ?
C00E C00I B04R B04H -106.6(5) . . . . ?
C00E C00I B04R B04P 152.6(5) . . . . ?
C00E C00I B04R B04X -145.0(4) . . . . ?
C00E C00I B04R B048 114.3(5) . . . . ?
C00E C00I B048 B02T 107.6(5) . . . . ?
C00E C00I B048 B04P -150.9(4) . . . . ?
C00E C00I B048 B04R -112.3(5) . . . . ?
C00E C00I B048 B04S 145.9(4) . . . . ?
C00E C02G C03J C01K 0.5(10) . . . . ?
C00I C00E C02G C03J -179.4(5) . . . . ?
C00I C00E C016 C01E 179.5(4) . . . . ?
C00I C00W B02T B03L -139.7(4) . . . . ?
C00I C00W B02T B04S -99.7(4) . . . . ?
C00I C00W B02T B048 -36.8(3) . . . . ?
C00I C00W B03L C01Y 145.8(5) . . . . ?
C00I C00W B03L B02T 36.9(3) . . . . ?
C00I C00W B03L B04B -102.9(4) . . . . ?
C00I C00W B03L B04Q -63.5(5) . . . . ?
C00I C00W B03L B04S -2.0(5) . . . . ?
C00I C00W B04B B03L 103.9(4) . . . . ?
C00I C00W B04B B04H -37.9(4) . . . . ?
C00I C00W B04B B04Q 63.7(5) . . . . ?
C00I C00W B04B B04X 1.3(5) . . . . ?
C00I C00W B04H B04B 138.7(4) . . . . ?
C00I C00W B04H B04R 36.3(3) . . . . ?
C00I C00W B04H B04X 98.2(4) . . . . ?
C00I B02T B03L C00W -36.3(3) . . . . ?
C00I B02T B03L C01Y -143.7(4) . . . . ?
C00I B02T B03L B04B -1.3(5) . . . . ?
C00I B02T B03L B04Q 60.6(5) . . . . ?
C00I B02T B03L B04S 98.2(4) . . . . ?
C00I B02T B04S B03L -102.1(4) . . . . ?
C00I B02T B04S B04P 0.3(6) . . . . ?
C00I B02T B04S B04Q -63.7(5) . . . . ?
C00I B02T B04S B048 37.4(4) . . . . ?
C00I B02T B048 B04P -99.6(4) . . . . ?
C00I B02T B048 B04R -35.7(4) . . . . ?
C00I B02T B048 B04S -136.4(4) . . . . ?
C00I B04H B04R B04P 98.8(4) . . . . ?
C00I B04H B04R B04X 136.4(4) . . . . ?
C00I B04H B04R B048 35.6(4) . . . . ?
C00I B04H B04X B04B 101.9(4) . . . . ?
C00I B04H B04X B04P 1.5(6) . . . . ?
C00I B04H B04X B04Q 65.5(6) . . . . ?
C00I B04H B04X B04R -37.3(4) . . . . ?
C00I B04R B04X B04B 1.8(5) . . . . ?
C00I B04R B04X B04H 38.4(4) . . . . ?
C00I B04R B04X B04P -99.1(4) . . . . ?
C00I B04R B04X B04Q -61.1(5) . . . . ?
C00I B04R B048 B02T 35.9(4) . . . . ?
C00I B04R B048 B04P 136.6(5) . . . . ?
C00I B04R B048 B04S 98.9(4) . . . . ?
C00T N005 C01X C02D 1.9(8) . . . . ?
C00T C00W B02T C00I -105.8(4) . . . . ?
C00T C00W B02T B03L 114.5(5) . . . . ?
C00T C00W B02T B04S 154.6(4) . . . . ?
C00T C00W B02T B048 -142.6(4) . . . . ?
C00T C00W B03L C01Y 0.2(8) . . . . ?
C00T C00W B03L B02T -108.6(5) . . . . ?
C00T C00W B03L B04B 111.5(5) . . . . ?
C00T C00W B03L B04Q 150.9(5) . . . . ?
C00T C00W B03L B04S -147.5(5) . . . . ?
C00T C00W B04B B03L -113.7(5) . . . . ?
C00T C00W B04B B04H 104.5(5) . . . . ?
C00T C00W B04B B04Q -153.9(4) . . . . ?
C00T C00W B04B B04X 143.7(4) . . . . ?
C00T C00W B04H C00I 107.5(4) . . . . ?
C00T C00W B04H B04B -113.7(5) . . . . ?
C00T C00W B04H B04R 143.8(4) . . . . ?
C00T C00W B04H B04X -154.2(5) . . . . ?
C00W C00I B02T B03L 35.5(3) . . . . ?
C00W C00I B02T B04S 98.8(4) . . . . ?
C00W C00I B02T B048 137.3(4) . . . . ?
C00W C00I B04H B04B -36.2(3) . . . . ?
C00W C00I B04H B04R -138.0(4) . . . . ?
C00W C00I B04H B04X -100.3(4) . . . . ?
C00W C00I B04R B04H 37.3(3) . . . . ?
C00W C00I B04R B04P -63.4(5) . . . . ?
C00W C00I B04R B04X -1.0(5) . . . . ?
C00W C00I B04R B048 -101.8(4) . . . . ?
C00W C00I B048 B02T -38.1(4) . . . . ?
C00W C00I B048 B04P 63.4(4) . . . . ?
C00W C00I B048 B04R 102.0(4) . . . . ?
C00W C00I B048 B04S 0.2(5) . . . . ?
C00W C00T C028 C02J 180.0(5) . . . . ?
C00W B02T B03L C01Y -107.5(5) . . . . ?
C00W B02T B03L B04B 34.9(4) . . . . ?
C00W B02T B03L B04Q 96.9(4) . . . . ?
C00W B02T B03L B04S 134.5(4) . . . . ?
C00W B02T B04S B03L -39.2(3) . . . . ?
C00W B02T B04S B04P 63.3(5) . . . . ?
C00W B02T B04S B04Q -0.7(5) . . . . ?
C00W B02T B04S B048 100.4(4) . . . . ?
C00W B02T B048 C00I 37.9(4) . . . . ?
C00W B02T B048 B04P -61.7(4) . . . . ?
C00W B02T B048 B04R 2.3(5) . . . . ?
C00W B02T B048 B04S -98.5(4) . . . . ?
C00W B03L B04B B04H 34.0(4) . . . . ?
C00W B03L B04B B04Q 134.3(5) . . . . ?
C00W B03L B04B B04X 96.7(5) . . . . ?
C00W B03L B04Q B04B -38.9(4) . . . . ?
C00W B03L B04Q B04P 62.2(5) . . . . ?
C00W B03L B04Q B04S 98.0(5) . . . . ?
C00W B03L B04Q B04X -0.8(6) . . . . ?
C00W B03L B04S B02T 38.8(3) . . . . ?
C00W B03L B04S B04P -62.4(5) . . . . ?
C00W B03L B04S B04Q -98.3(4) . . . . ?
C00W B03L B04S B048 2.1(5) . . . . ?
C00W B04B B04H C00I 36.8(3) . . . . ?
C00W B04B B04H B04R 98.3(4) . . . . ?
C00W B04B B04H B04X 134.6(4) . . . . ?
C00W B04B B04Q B03L 39.5(4) . . . . ?
C00W B04B B04Q B04P -62.5(5) . . . . ?
C00W B04B B04Q B04S 1.0(6) . . . . ?
C00W B04B B04Q B04X -98.6(5) . . . . ?
C00W B04B B04X B04H -39.2(4) . . . . ?
C00W B04B B04X B04P 62.9(5) . . . . ?
C00W B04B B04X B04Q 99.4(4) . . . . ?
C00W B04B B04X B04R -2.0(5) . . . . ?
C00W B04H B04R C00I -37.2(3) . . . . ?
C00W B04H B04R B04P 61.6(5) . . . . ?
C00W B04H B04R B04X 99.2(4) . . . . ?
C00W B04H B04R B048 -1.6(5) . . . . ?
C00W B04H B04X B04B 39.3(4) . . . . ?
C00W B04H B04X B04P -61.1(5) . . . . ?
C00W B04H B04X B04Q 2.9(6) . . . . ?
C00W B04H B04X B04R -99.9(4) . . . . ?
C01E C01K C03J C02G 2.0(9) . . . . ?
C01H C01Y B03L C00W 145.8(5) . . . . ?
C01H C01Y B03L B02T -146.1(5) . . . . ?
C01H C01Y B03L B04B 77.3(6) . . . . ?
C01H C01Y B03L B04Q 3.4(8) . . . . ?
C01H C01Y B03L B04S -74.8(7) . . . . ?
C01H C03N C04K C056 107.5(8) . . . . ?
C01H C03N C056 C04K -106.4(7) . . . . ?
C01K C01E C016 C00E -0.9(7) . . . . ?
C01X N005 C00T C00W 179.1(4) . . . . ?
C01X N005 C00T C028 -1.7(7) . . . . ?
C01X C02D C02J C028 0.2(9) . . . . ?
C01Y C01H C03N C04K 150.1(6) . . . . ?
C01Y C01H C03N C056 -143.7(6) . . . . ?
C01Y B03L B04B C00W 106.5(5) . . . . ?
C01Y B03L B04B B04H 140.5(5) . . . . ?
C01Y B03L B04B B04Q -119.3(6) . . . . ?
C01Y B03L B04B B04X -156.8(5) . . . . ?
C01Y B03L B04Q B04B 107.6(7) . . . . ?
C01Y B03L B04Q B04P -151.2(5) . . . . ?
C01Y B03L B04Q B04S -115.4(6) . . . . ?
C01Y B03L B04Q B04X 145.8(6) . . . . ?
C01Y B03L B04S B02T -105.1(6) . . . . ?
C01Y B03L B04S B04P 153.7(5) . . . . ?
C01Y B03L B04S B04Q 117.7(6) . . . . ?
C01Y B03L B04S B048 -141.9(5) . . . . ?
C02D C02J C028 C00T 0.0(9) . . . . ?
C02G C00E C00I C00W -99.5(5) . . . . ?
C02G C00E C00I B02T -168.2(5) . . . . ?
C02G C00E C00I B04H -31.6(7) . . . . ?
C02G C00E C00I B04R 41.4(7) . . . . ?
C02G C00E C00I B048 117.8(5) . . . . ?
C02G C00E C016 C01E 3.3(7) . . . . ?
C03C C01K C03J C02G -178.9(5) . . . . ?
C03N C01H C01Y B03L 82.0(6) . . . . ?
C016 C00E C00I C00W 84.5(6) . . . . ?
C016 C00E C00I B02T 15.7(7) . . . . ?
C016 C00E C00I B04H 152.3(4) . . . . ?
C016 C00E C00I B04R -134.6(5) . . . . ?
C016 C00E C00I B048 -58.3(6) . . . . ?
C016 C00E C02G C03J -3.1(8) . . . . ?
C016 C01E C01K C03C 179.1(5) . . . . ?
C016 C01E C01K C03J -1.8(8) . . . . ?
C028 C00T C00W C00I 108.1(5) . . . . ?
C028 C00T C00W B02T 177.1(5) . . . . ?
C028 C00T C00W B03L -108.0(6) . . . . ?
C028 C00T C00W B04B -32.1(7) . . . . ?
C028 C00T C00W B04H 39.5(7) . . . . ?
B02T C00I C00W C00T 109.9(5) . . . . ?
B02T C00I C00W B03L -38.1(4) . . . . ?
B02T C00I C00W B04B -105.7(4) . . . . ?
B02T C00I C00W B04H -144.1(4) . . . . ?
B02T C00I B04H C00W 32.4(3) . . . . ?
B02T C00I B04H B04B -3.8(5) . . . . ?
B02T C00I B04H B04R -105.6(4) . . . . ?
B02T C00I B04H B04X -67.8(5) . . . . ?
B02T C00I B04R B04H 101.3(4) . . . . ?
B02T C00I B04R B04P 0.5(6) . . . . ?
B02T C00I B04R B04X 62.9(5) . . . . ?
B02T C00I B04R B048 -37.8(4) . . . . ?
B02T C00I B048 B04P 101.4(5) . . . . ?
B02T C00I B048 B04R 140.1(5) . . . . ?
B02T C00I B048 B04S 38.3(4) . . . . ?
B02T C00W B03L C01Y 108.9(5) . . . . ?
B02T C00W B03L B04B -139.8(4) . . . . ?
B02T C00W B03L B04Q -100.4(5) . . . . ?
B02T C00W B03L B04S -38.9(4) . . . . ?
B02T C00W B04B B03L 38.7(4) . . . . ?
B02T C00W B04B B04H -103.1(4) . . . . ?
B02T C00W B04B B04Q -1.5(5) . . . . ?
B02T C00W B04B B04X -63.9(5) . . . . ?
B02T C00W B04H C00I -33.1(4) . . . . ?
B02T C00W B04H B04B 105.6(4) . . . . ?
B02T C00W B04H B04R 3.2(5) . . . . ?
B02T C00W B04H B04X 65.1(5) . . . . ?
B02T B03L B04B C00W -35.0(4) . . . . ?
B02T B03L B04B B04H -1.0(5) . . . . ?
B02T B03L B04B B04Q 99.2(5) . . . . ?
B02T B03L B04B B04X 61.7(5) . . . . ?
B02T B03L B04Q B04B -99.8(4) . . . . ?
B02T B03L B04Q B04P 1.4(5) . . . . ?
B02T B03L B04Q B04S 37.2(4) . . . . ?
B02T B03L B04Q B04X -61.6(6) . . . . ?
B02T B03L B04S B04P -101.2(5) . . . . ?
B02T B03L B04S B04Q -137.2(4) . . . . ?
B02T B03L B04S B048 -36.7(4) . . . . ?
B02T B04S B048 C00I -38.5(4) . . . . ?
B02T B04S B048 B04P -138.9(4) . . . . ?
B02T B04S B048 B04R -101.2(4) . . . . ?
B03L C00W B02T C00I 139.7(4) . . . . ?
B03L C00W B02T B04S 40.0(4) . . . . ?
B03L C00W B02T B048 102.9(4) . . . . ?
B03L C00W B04B B04H -141.8(4) . . . . ?
B03L C00W B04B B04Q -40.2(4) . . . . ?
B03L C00W B04B B04X -102.6(4) . . . . ?
B03L C00W B04H C00I -101.9(4) . . . . ?
B03L C00W B04H B04B 36.9(4) . . . . ?
B03L C00W B04H B04R -65.6(5) . . . . ?
B03L C00W B04H B04X -3.6(6) . . . . ?
B03L B02T B04S B04P 102.4(5) . . . . ?
B03L B02T B04S B04Q 38.5(4) . . . . ?
B03L B02T B04S B048 139.5(4) . . . . ?
B03L B02T B048 C00I 99.7(4) . . . . ?
B03L B02T B048 B04P 0.1(5) . . . . ?
B03L B02T B048 B04R 64.0(5) . . . . ?
B03L B02T B048 B04S -36.7(4) . . . . ?
B03L B04B B04H C00I 2.9(5) . . . . ?
B03L B04B B04H C00W -33.9(4) . . . . ?
B03L B04B B04H B04R 64.3(5) . . . . ?
B03L B04B B04H B04X 100.7(5) . . . . ?
B03L B04B B04Q B04P -102.0(5) . . . . ?
B03L B04B B04Q B04S -38.5(4) . . . . ?
B03L B04B B04Q B04X -138.1(5) . . . . ?
B03L B04B B04X B04H -100.9(4) . . . . ?
B03L B04B B04X B04P 1.2(6) . . . . ?
B03L B04B B04X B04Q 37.7(4) . . . . ?
B03L B04B B04X B04R -63.6(5) . . . . ?
B03L B04Q B04S B02T -38.8(4) . . . . ?
B03L B04Q B04S B04P -140.4(4) . . . . ?
B03L B04Q B04S B048 -102.6(4) . . . . ?
B03L B04Q B04X B04B -37.9(4) . . . . ?
B03L B04Q B04X B04H -1.3(7) . . . . ?
B03L B04Q B04X B04P 101.6(5) . . . . ?
B03L B04Q B04X B04R 63.4(6) . . . . ?
B03L B04S B048 C00I -1.5(5) . . . . ?
B03L B04S B048 B02T 37.1(4) . . . . ?
B03L B04S B048 B04P -101.9(4) . . . . ?
B03L B04S B048 B04R -64.1(5) . . . . ?
B04B C00W B02T C00I 101.1(4) . . . . ?
B04B C00W B02T B03L -38.6(4) . . . . ?
B04B C00W B02T B04S 1.4(5) . . . . ?
B04B C00W B02T B048 64.3(5) . . . . ?
B04B C00W B03L C01Y -111.3(6) . . . . ?
B04B C00W B03L B02T 139.8(4) . . . . ?
B04B C00W B03L B04Q 39.4(4) . . . . ?
B04B C00W B03L B04S 100.9(4) . . . . ?
B04B C00W B04H C00I -138.7(4) . . . . ?
B04B C00W B04H B04R -102.4(4) . . . . ?
B04B C00W B04H B04X -40.5(4) . . . . ?
B04B B03L B04Q B04P 101.2(5) . . . . ?
B04B B03L B04Q B04S 136.9(5) . . . . ?
B04B B03L B04Q B04X 38.1(5) . . . . ?
B04B B03L B04S B02T 99.5(4) . . . . ?
B04B B03L B04S B04P -1.7(5) . . . . ?
B04B B03L B04S B04Q -37.7(4) . . . . ?
B04B B03L B04S B048 62.7(5) . . . . ?
B04B B04H B04R C00I -99.2(4) . . . . ?
B04B B04H B04R B04P -0.3(5) . . . . ?
B04B B04H B04R B04X 37.3(4) . . . . ?
B04B B04H B04R B048 -63.6(5) . . . . ?
B04B B04H B04X B04P -100.4(5) . . . . ?
B04B B04H B04X B04Q -36.4(4) . . . . ?
B04B B04H B04X B04R -139.2(4) . . . . ?
B04B B04Q B04S B02T -0.2(6) . . . . ?
B04B B04Q B04S B03L 38.6(4) . . . . ?
B04B B04Q B04S B04P -101.8(5) . . . . ?
B04B B04Q B04S B048 -64.0(5) . . . . ?
B04B B04Q B04X B04H 36.6(4) . . . . ?
B04B B04Q B04X B04P 139.5(5) . . . . ?
B04B B04Q B04X B04R 101.3(5) . . . . ?
B04H C00I C00W C00T -106.0(5) . . . . ?
B04H C00I C00W B02T 144.1(4) . . . . ?
B04H C00I C00W B03L 106.0(4) . . . . ?
B04H C00I C00W B04B 38.4(4) . . . . ?
B04H C00I B02T C00W -32.3(3) . . . . ?
B04H C00I B02T B03L 3.2(5) . . . . ?
B04H C00I B02T B04S 66.6(5) . . . . ?
B04H C00I B02T B048 105.0(4) . . . . ?
B04H C00I B04R B04P -100.8(5) . . . . ?
B04H C00I B04R B04X -38.3(4) . . . . ?
B04H C00I B04R B048 -139.1(4) . . . . ?
B04H C00I B048 B02T -101.5(4) . . . . ?
B04H C00I B048 B04P 0.0(5) . . . . ?
B04H C00I B048 B04R 38.6(4) . . . . ?
B04H C00I B048 B04S -63.1(5) . . . . ?
B04H C00W B02T C00I 33.4(4) . . . . ?
B04H C00W B02T B03L -106.3(4) . . . . ?
B04H C00W B02T B04S -66.3(5) . . . . ?
B04H C00W B02T B048 -3.4(5) . . . . ?
B04H C00W B03L C01Y -147.9(5) . . . . ?
B04H C00W B03L B02T 103.2(4) . . . . ?
B04H C00W B03L B04B -36.6(4) . . . . ?
B04H C00W B03L B04Q 2.8(6) . . . . ?
B04H C00W B03L B04S 64.3(5) . . . . ?
B04H C00W B04B B03L 141.8(4) . . . . ?
B04H C00W B04B B04Q 101.6(5) . . . . ?
B04H C00W B04B B04X 39.2(4) . . . . ?
B04H B04B B04Q B03L 101.5(4) . . . . ?
B04H B04B B04Q B04P -0.5(5) . . . . ?
B04H B04B B04Q B04S 63.0(5) . . . . ?
B04H B04B B04Q B04X -36.6(4) . . . . ?
B04H B04B B04X B04P 102.1(5) . . . . ?
B04H B04B B04X B04Q 138.6(5) . . . . ?
B04H B04B B04X B04R 37.3(4) . . . . ?
B04H B04R B04X B04B -36.6(4) . . . . ?
B04H B04R B04X B04P -137.5(4) . . . . ?
B04H B04R B04X B04Q -99.5(5) . . . . ?
B04H B04R B048 C00I -36.3(4) . . . . ?
B04H B04R B048 B02T -0.4(6) . . . . ?
B04H B04R B048 B04P 100.3(5) . . . . ?
B04H B04R B048 B04S 62.7(5) . . . . ?
B04P B04Q B04S B02T 101.6(4) . . . . ?
B04P B04Q B04S B03L 140.4(4) . . . . ?
B04P B04Q B04S B048 37.8(4) . . . . ?
B04P B04Q B04X B04B -139.5(5) . . . . ?
B04P B04Q B04X B04H -102.9(5) . . . . ?
B04P B04Q B04X B04R -38.2(4) . . . . ?
B04P B04R B04X B04B 100.9(4) . . . . ?
B04P B04R B04X B04H 137.5(4) . . . . ?
B04P B04R B04X B04Q 38.0(4) . . . . ?
B04P B04R B048 C00I -136.6(5) . . . . ?
B04P B04R B048 B02T -100.7(5) . . . . ?
B04P B04R B048 B04S -37.7(4) . . . . ?
B04P B04S B048 C00I 100.4(4) . . . . ?
B04P B04S B048 B02T 138.9(4) . . . . ?
B04P B04S B048 B04R 37.8(4) . . . . ?
B04Q B03L B04B C00W -134.3(5) . . . . ?
B04Q B03L B04B B04H -100.2(5) . . . . ?
B04Q B03L B04B B04X -37.5(4) . . . . ?
B04Q B03L B04S B02T 137.2(4) . . . . ?
B04Q B03L B04S B04P 36.0(4) . . . . ?
B04Q B03L B04S B048 100.4(5) . . . . ?
B04Q B04B B04H C00I -60.9(5) . . . . ?
B04Q B04B B04H C00W -97.7(4) . . . . ?
B04Q B04B B04H B04R 0.5(5) . . . . ?
B04Q B04B B04H B04X 36.9(4) . . . . ?
B04Q B04B B04X B04H -138.6(5) . . . . ?
B04Q B04B B04X B04P -36.5(4) . . . . ?
B04Q B04B B04X B04R -101.3(5) . . . . ?
B04Q B04P B04R C00I 62.7(5) . . . . ?
B04Q B04P B04R B04H 0.0(5) . . . . ?
B04Q B04P B04R B04X -37.6(4) . . . . ?
B04Q B04P B04R B048 100.1(4) . . . . ?
B04Q B04P B04S B02T -100.9(5) . . . . ?
B04Q B04P B04S B03L -36.0(4) . . . . ?
B04Q B04P B04S B048 -137.9(4) . . . . ?
B04Q B04P B04X B04B 35.9(4) . . . . ?
B04Q B04P B04X B04H 99.2(5) . . . . ?
B04Q B04P B04X B04R 138.1(4) . . . . ?
B04Q B04P B048 C00I -62.4(5) . . . . ?
B04Q B04P B048 B02T 0.8(5) . . . . ?
B04Q B04P B048 B04R -100.7(5) . . . . ?
B04Q B04P B048 B04S 37.3(4) . . . . ?
B04Q B04S B048 C00I 62.6(5) . . . . ?
B04Q B04S B048 B02T 101.1(5) . . . . ?
B04Q B04S B048 B04P -37.8(4) . . . . ?
B04Q B04S B048 B04R 0.0(5) . . . . ?
B04R C00I C00W C00T -144.6(4) . . . . ?
B04R C00I C00W B02T 105.5(4) . . . . ?
B04R C00I C00W B03L 67.4(4) . . . . ?
B04R C00I C00W B04B -0.2(5) . . . . ?
B04R C00I C00W B04H -38.7(4) . . . . ?
B04R C00I B02T C00W -99.4(4) . . . . ?
B04R C00I B02T B03L -63.9(5) . . . . ?
B04R C00I B02T B04S -0.5(5) . . . . ?
B04R C00I B02T B048 37.9(4) . . . . ?
B04R C00I B04H C00W 138.0(4) . . . . ?
B04R C00I B04H B04B 101.8(4) . . . . ?
B04R C00I B04H B04X 37.8(4) . . . . ?
B04R C00I B048 B02T -140.1(5) . . . . ?
B04R C00I B048 B04P -38.6(4) . . . . ?
B04R C00I B048 B04S -101.7(5) . . . . ?
B04R B04H B04X B04B 139.2(4) . . . . ?
B04R B04H B04X B04P 38.8(4) . . . . ?
B04R B04H B04X B04Q 102.8(5) . . . . ?
B04R B04P B04Q B03L -64.0(5) . . . . ?
B04R B04P B04Q B04B 0.3(5) . . . . ?
B04R B04P B04Q B04S -99.9(4) . . . . ?
B04R B04P B04Q B04X 37.1(4) . . . . ?
B04R B04P B04S B02T 0.0(6) . . . . ?
B04R B04P B04S B03L 64.9(6) . . . . ?
B04R B04P B04S B04Q 100.9(5) . . . . ?
B04R B04P B04S B048 -37.1(4) . . . . ?
B04R B04P B04X B04B -102.1(5) . . . . ?
B04R B04P B04X B04H -38.9(4) . . . . ?
B04R B04P B04X B04Q -138.1(4) . . . . ?
B04R B04P B048 C00I 38.2(4) . . . . ?
B04R B04P B048 B02T 101.4(4) . . . . ?
B04R B04P B048 B04S 138.0(5) . . . . ?
B04S B02T B03L C00W -134.5(4) . . . . ?
B04S B02T B03L C01Y 118.1(5) . . . . ?
B04S B02T B03L B04B -99.5(4) . . . . ?
B04S B02T B03L B04Q -37.6(4) . . . . ?
B04S B02T B048 C00I 136.4(4) . . . . ?
B04S B02T B048 B04P 36.8(4) . . . . ?
B04S B02T B048 B04R 100.8(5) . . . . ?
B04S B03L B04B C00W -96.4(4) . . . . ?
B04S B03L B04B B04H -62.4(5) . . . . ?
B04S B03L B04B B04Q 37.8(4) . . . . ?
B04S B03L B04B B04X 0.3(5) . . . . ?
B04S B03L B04Q B04B -136.9(5) . . . . ?
B04S B03L B04Q B04P -35.8(4) . . . . ?
B04S B03L B04Q B04X -98.8(5) . . . . ?
B04S B04P B04Q B03L 35.9(4) . . . . ?
B04S B04P B04Q B04B 100.2(5) . . . . ?
B04S B04P B04Q B04X 137.0(4) . . . . ?
B04S B04P B04R C00I -0.3(6) . . . . ?
B04S B04P B04R B04H -62.9(5) . . . . ?
B04S B04P B04R B04X -100.5(5) . . . . ?
B04S B04P B04R B048 37.1(4) . . . . ?
B04S B04P B04X B04B -2.2(6) . . . . ?
B04S B04P B04X B04H 61.0(6) . . . . ?
B04S B04P B04X B04Q -38.2(4) . . . . ?
B04S B04P B04X B04R 99.9(4) . . . . ?
B04S B04P B048 C00I -99.8(4) . . . . ?
B04S B04P B048 B02T -36.5(4) . . . . ?
B04S B04P B048 B04R -138.0(5) . . . . ?
B04S B04Q B04X B04B -101.5(5) . . . . ?
B04S B04Q B04X B04H -64.9(6) . . . . ?
B04S B04Q B04X B04P 38.1(4) . . . . ?
B04S B04Q B04X B04R -0.1(6) . . . . ?
B04X B04B B04H C00I -97.8(4) . . . . ?
B04X B04B B04H C00W -134.6(4) . . . . ?
B04X B04B B04H B04R -36.4(4) . . . . ?
B04X B04B B04Q B03L 138.1(5) . . . . ?
B04X B04B B04Q B04P 36.1(4) . . . . ?
B04X B04B B04Q B04S 99.6(5) . . . . ?
B04X B04H B04R C00I -136.4(4) . . . . ?
B04X B04H B04R B04P -37.6(4) . . . . ?
B04X B04H B04R B048 -100.9(5) . . . . ?
B04X B04P B04Q B03L -101.1(5) . . . . ?
B04X B04P B04Q B04B -36.8(4) . . . . ?
B04X B04P B04Q B04S -137.0(4) . . . . ?
B04X B04P B04R C00I 100.2(5) . . . . ?
B04X B04P B04R B04H 37.6(4) . . . . ?
B04X B04P B04R B048 137.6(4) . . . . ?
B04X B04P B04S B02T -62.5(6) . . . . ?
B04X B04P B04S B03L 2.5(6) . . . . ?
B04X B04P B04S B04Q 38.4(4) . . . . ?
B04X B04P B04S B048 -99.5(4) . . . . ?
B04X B04P B048 C00I 1.0(5) . . . . ?
B04X B04P B048 B02T 64.2(5) . . . . ?
B04X B04P B048 B04R -37.3(4) . . . . ?
B04X B04P B048 B04S 100.7(5) . . . . ?
B04X B04Q B04S B02T 63.9(5) . . . . ?
B04X B04Q B04S B03L 102.7(4) . . . . ?
B04X B04Q B04S B04P -37.7(4) . . . . ?
B04X B04Q B04S B048 0.1(6) . . . . ?
B04X B04R B048 C00I -99.0(4) . . . . ?
B04X B04R B048 B02T -63.1(5) . . . . ?
B04X B04R B048 B04P 37.6(4) . . . . ?
B04X B04R B048 B04S -0.1(5) . . . . ?
B048 C00I C00W C00T 149.1(4) . . . . ?
B048 C00I C00W B02T 39.2(4) . . . . ?
B048 C00I C00W B03L 1.1(5) . . . . ?
B048 C00I C00W B04B -66.5(4) . . . . ?
B048 C00I C00W B04H -104.9(4) . . . . ?
B048 C00I B02T C00W -137.3(4) . . . . ?
B048 C00I B02T B03L -101.8(4) . . . . ?
B048 C00I B02T B04S -38.5(4) . . . . ?
B048 C00I B04H C00W 99.3(4) . . . . ?
B048 C00I B04H B04B 63.1(5) . . . . ?
B048 C00I B04H B04R -38.7(4) . . . . ?
B048 C00I B04H B04X -0.9(5) . . . . ?
B048 C00I B04R B04H 139.1(5) . . . . ?
B048 C00I B04R B04P 38.3(4) . . . . ?
B048 C00I B04R B04X 100.7(4) . . . . ?
B048 B02T B03L C00W -97.8(4) . . . . ?
B048 B02T B03L C01Y 154.7(4) . . . . ?
B048 B02T B03L B04B -62.9(5) . . . . ?
B048 B02T B03L B04Q -0.9(5) . . . . ?
B048 B02T B03L B04S 36.7(4) . . . . ?
B048 B02T B04S B03L -139.5(4) . . . . ?
B048 B02T B04S B04P -37.1(4) . . . . ?
B048 B02T B04S B04Q -101.1(5) . . . . ?
B048 B04P B04Q B03L -1.4(5) . . . . ?
B048 B04P B04Q B04B 62.9(5) . . . . ?
B048 B04P B04Q B04S -37.2(4) . . . . ?
B048 B04P B04Q B04X 99.7(4) . . . . ?
B048 B04P B04R C00I -37.4(4) . . . . ?
B048 B04P B04R B04H -100.0(4) . . . . ?
B048 B04P B04R B04X -137.6(4) . . . . ?
B048 B04P B04S B02T 37.0(4) . . . . ?
B048 B04P B04S B03L 102.0(4) . . . . ?
B048 B04P B04S B04Q 137.9(4) . . . . ?
B048 B04P B04X B04B -64.8(5) . . . . ?
B048 B04P B04X B04H -1.6(6) . . . . ?
B048 B04P B04X B04Q -100.8(4) . . . . ?
B048 B04P B04X B04R 37.3(4) . . . . ?
B048 B04R B04X B04B 63.1(5) . . . . ?
B048 B04R B04X B04H 99.6(4) . . . . ?
B048 B04R B04X B04P -37.9(4) . . . . ?
B048 B04R B04X B04Q 0.1(6) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'


#===END
####################################################################### 
# 
# 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_3aa
_database_code_depnum_ccdc_archive 'CCDC 2004239'
loop_
_audit_author_name
_audit_author_address
'Hou-ji Cao'
;Nanjing University
China
;
_audit_update_record             
;
2020-05-16 deposited with the CCDC.	2021-11-19 downloaded from the CCDC.
;
_audit_creation_date             2020-05-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r1)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C16 H23 B10 N O'
_chemical_formula_sum            'C16 H23 B10 N O'
_chemical_formula_weight         353.45
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   10.075(2)
_cell_length_b                   10.417(2)
_cell_length_c                   19.182(4)
_cell_angle_alpha                90
_cell_angle_beta                 102.788(3)
_cell_angle_gamma                90
_cell_volume                     1963.2(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3832
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.24
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.064
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.6409
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0951 before and 0.0552 after correction.
The Ratio of minimum to maximum transmission is 0.8592.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.196
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             736
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0441
_diffrn_reflns_av_unetI/netI     0.0441
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            20626
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.880
_diffrn_reflns_theta_min         2.117
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4073
_reflns_number_total             5592
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.246
_refine_diff_density_min         -0.235
_refine_diff_density_rms         0.045
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     254
_refine_ls_number_reflns         5592
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0741
_refine_ls_R_factor_gt           0.0519
_refine_ls_restrained_S_all      1.032
_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)+(0.0823P)²+0.2797P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1427
_refine_ls_wR_factor_ref         0.1585
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Riding coordinates:
 B5(H5A), B3(H3), B6(H6A), B7(H7A), B10(H10), B11(H11), B9(H9), B8(H8A),
 B12(H12A)
2.b Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B)
2.c Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C16(H16), C7(H7), C12(H12), C8(H8), C15(H15), C14(H14),
 C13(H13)
2.d Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.32744(12) 0.21099(10) 0.47283(6) 0.0448(3) Uani 1 1 d . . . . .
N1 N 0.80950(12) 0.32977(12) 0.67001(7) 0.0374(3) Uani 1 1 d . . . . .
C1 C 0.57991(12) 0.38846(11) 0.67496(6) 0.0232(2) Uani 1 1 d . . . . .
C4 C 0.70855(12) 0.41425(12) 0.64920(7) 0.0254(3) Uani 1 1 d . . . . .
C2 C 0.58198(13) 0.40494(13) 0.76252(7) 0.0281(3) Uani 1 1 d . . . . .
C10 C 0.38180(14) 0.14310(13) 0.52266(7) 0.0288(3) Uani 1 1 d . . . . .
C5 C 0.71656(14) 0.51671(13) 0.60498(8) 0.0324(3) Uani 1 1 d . . . . .
H5 H 0.6438 0.5731 0.5915 0.039 Uiso 1 1 calc R . . . .
C11 C 0.32033(14) 0.01662(12) 0.53410(7) 0.0288(3) Uani 1 1 d . . . . .
C6 C 0.83567(15) 0.53391(15) 0.58104(8) 0.0386(3) Uani 1 1 d . . . . .
H6 H 0.8439 0.6017 0.5508 0.046 Uiso 1 1 calc R . . . .
C9 C 0.50890(14) 0.18798(14) 0.57352(7) 0.0327(3) Uani 1 1 d . . . . .
H9A H 0.5612 0.2418 0.5482 0.039 Uiso 1 1 calc R . . . .
H9B H 0.5644 0.1144 0.5924 0.039 Uiso 1 1 calc R . . . .
C16 C 0.38741(17) -0.07415(14) 0.58208(8) 0.0403(4) Uani 1 1 d . . . . .
H16 H 0.4727 -0.0554 0.6104 0.048 Uiso 1 1 calc R . . . .
C7 C 0.94065(15) 0.44966(16) 0.60265(9) 0.0420(4) Uani 1 1 d . . . . .
H7 H 1.0220 0.4597 0.5879 0.050 Uiso 1 1 calc R . . . .
C12 C 0.19198(16) -0.01274(16) 0.49356(9) 0.0422(4) Uani 1 1 d . . . . .
H12 H 0.1448 0.0473 0.4616 0.051 Uiso 1 1 calc R . . . .
C3 C 0.71517(16) 0.44424(17) 0.81177(8) 0.0412(4) Uani 1 1 d . . . . .
H3A H 0.7087 0.5314 0.8269 0.062 Uiso 1 1 calc GR . . . .
H3B H 0.7875 0.4371 0.7868 0.062 Uiso 1 1 calc GR . . . .
H3C H 0.7336 0.3890 0.8528 0.062 Uiso 1 1 calc GR . . . .
C8 C 0.92364(15) 0.34939(17) 0.64676(9) 0.0451(4) Uani 1 1 d . . . . .
H8 H 0.9954 0.2923 0.6611 0.054 Uiso 1 1 calc R . . . .
C15 C 0.3285(2) -0.19246(16) 0.58813(10) 0.0553(5) Uani 1 1 d . . . . .
H15 H 0.3747 -0.2531 0.6201 0.066 Uiso 1 1 calc R . . . .
C14 C 0.2029(2) -0.22035(18) 0.54730(11) 0.0606(5) Uani 1 1 d . . . . .
H14 H 0.1640 -0.3003 0.5513 0.073 Uiso 1 1 calc R . . . .
C13 C 0.1337(2) -0.1314(2) 0.50059(11) 0.0592(5) Uani 1 1 d . . . . .
H13 H 0.0475 -0.1505 0.4735 0.071 Uiso 1 1 calc R . . . .
B4 B 0.47169(14) 0.26730(14) 0.63793(8) 0.0248(3) Uani 1 1 d . . . . .
B5 B 0.42525(14) 0.43319(14) 0.62442(8) 0.0254(3) Uani 1 1 d . . . . .
H5A H 0.4232 0.4753 0.5730 0.030 Uiso 1 1 d R . . . .
B3 B 0.57370(15) 0.25328(14) 0.72647(8) 0.0272(3) Uani 1 1 d . . . . .
H3 H 0.6630 0.1960 0.7402 0.033 Uiso 1 1 d R . . . .
B6 B 0.50007(15) 0.51890(14) 0.70325(8) 0.0279(3) Uani 1 1 d . . . . .
H6A H 0.5454 0.6217 0.7029 0.033 Uiso 1 1 d R . . . .
B7 B 0.47437(17) 0.29772(15) 0.78778(8) 0.0323(3) Uani 1 1 d . . . . .
H7A H 0.5046 0.2590 0.8420 0.039 Uiso 1 1 d R . . . .
B10 B 0.32614(15) 0.47770(15) 0.68626(9) 0.0306(3) Uani 1 1 d . . . . .
H10 H 0.2469 0.5484 0.6737 0.037 Uiso 1 1 d R . . . .
B11 B 0.42859(16) 0.46132(16) 0.77364(8) 0.0326(3) Uani 1 1 d . . . . .
H11 H 0.4336 0.5244 0.8174 0.039 Uiso 1 1 d R . . . .
B9 B 0.30821(15) 0.32175(15) 0.64634(8) 0.0287(3) Uani 1 1 d . . . . .
H9 H 0.2185 0.2965 0.6076 0.034 Uiso 1 1 d R . . . .
B8 B 0.40062(16) 0.21019(15) 0.70948(8) 0.0309(3) Uani 1 1 d . . . . .
H8A H 0.3729 0.1118 0.7081 0.037 Uiso 1 1 d R . . . .
B12 B 0.30947(16) 0.33955(16) 0.73857(9) 0.0325(3) Uani 1 1 d . . . . .
H12A H 0.2193 0.3228 0.7597 0.039 Uiso 1 1 d R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1 C10 1.2174(17) . ?
N1 C4 1.3373(17) . ?
N1 C8 1.3381(19) . ?
C1 C4 1.5099(17) . ?
C1 C2 1.6838(17) . ?
C1 B4 1.7157(18) . ?
C1 B5 1.7078(18) . ?
C1 B3 1.7293(18) . ?
C1 B6 1.7266(19) . ?
C4 C5 1.3769(18) . ?
C2 C3 1.5164(19) . ?
C2 B3 1.719(2) . ?
C2 B6 1.723(2) . ?
C2 B7 1.700(2) . ?
C2 B11 1.710(2) . ?
C10 C11 1.4926(19) . ?
C10 C9 1.5023(19) . ?
C5 H5 0.9300 . ?
C5 C6 1.3881(19) . ?
C11 C16 1.387(2) . ?
C11 C12 1.388(2) . ?
C6 H6 0.9300 . ?
C6 C7 1.366(2) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 B4 1.5984(19) . ?
C16 H16 0.9300 . ?
C16 C15 1.384(2) . ?
C7 H7 0.9300 . ?
C7 C8 1.379(2) . ?
C12 H12 0.9300 . ?
C12 C13 1.388(2) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C8 H8 0.9300 . ?
C15 H15 0.9300 . ?
C15 C14 1.365(3) . ?
C14 H14 0.9300 . ?
C14 C13 1.367(3) . ?
C13 H13 0.9300 . ?
B4 B5 1.794(2) . ?
B4 B3 1.786(2) . ?
B4 B9 1.783(2) . ?
B4 B8 1.785(2) . ?
B5 H5A 1.0752 . ?
B5 B6 1.774(2) . ?
B5 B10 1.773(2) . ?
B5 B9 1.770(2) . ?
B3 H3 1.0634 . ?
B3 B7 1.766(2) . ?
B3 B8 1.760(2) . ?
B6 H6A 1.1642 . ?
B6 B10 1.763(2) . ?
B6 B11 1.770(2) . ?
B7 H7A 1.0941 . ?
B7 B11 1.771(2) . ?
B7 B8 1.773(2) . ?
B7 B12 1.774(2) . ?
B10 H10 1.0736 . ?
B10 B11 1.772(2) . ?
B10 B9 1.788(2) . ?
B10 B12 1.783(2) . ?
B11 H11 1.0577 . ?
B11 B12 1.773(2) . ?
B9 H9 1.0685 . ?
B9 B8 1.785(2) . ?
B9 B12 1.776(2) . ?
B8 H8A 1.0607 . ?
B8 B12 1.788(2) . ?
B12 H12A 1.0879 . ?

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
C4 N1 C8 116.93(13) . . ?
C4 C1 C2 119.10(10) . . ?
C4 C1 B4 120.55(10) . . ?
C4 C1 B5 120.47(10) . . ?
C4 C1 B3 118.30(10) . . ?
C4 C1 B6 117.14(10) . . ?
C2 C1 B4 110.76(9) . . ?
C2 C1 B5 110.29(9) . . ?
C2 C1 B3 60.47(8) . . ?
C2 C1 B6 60.66(8) . . ?
B4 C1 B3 62.45(8) . . ?
B4 C1 B6 114.30(10) . . ?
B5 C1 B4 63.21(8) . . ?
B5 C1 B3 113.75(10) . . ?
B5 C1 B6 62.20(8) . . ?
B6 C1 B3 112.52(10) . . ?
N1 C4 C1 115.87(11) . . ?
N1 C4 C5 123.34(12) . . ?
C5 C4 C1 120.74(11) . . ?
C1 C2 B3 61.07(8) . . ?
C1 C2 B6 60.90(8) . . ?
C1 C2 B7 110.45(10) . . ?
C1 C2 B11 110.33(10) . . ?
C3 C2 C1 117.56(11) . . ?
C3 C2 B3 117.13(11) . . ?
C3 C2 B6 116.98(12) . . ?
C3 C2 B7 122.14(11) . . ?
C3 C2 B11 121.95(11) . . ?
B3 C2 B6 113.22(10) . . ?
B7 C2 B3 62.20(8) . . ?
B7 C2 B6 113.47(11) . . ?
B7 C2 B11 62.56(9) . . ?
B11 C2 B3 113.64(10) . . ?
B11 C2 B6 62.07(9) . . ?
O1 C10 C11 119.94(13) . . ?
O1 C10 C9 119.98(13) . . ?
C11 C10 C9 120.07(12) . . ?
C4 C5 H5 120.8 . . ?
C4 C5 C6 118.47(13) . . ?
C6 C5 H5 120.8 . . ?
C16 C11 C10 122.85(13) . . ?
C16 C11 C12 118.59(14) . . ?
C12 C11 C10 118.54(13) . . ?
C5 C6 H6 120.5 . . ?
C7 C6 C5 118.99(14) . . ?
C7 C6 H6 120.5 . . ?
C10 C9 H9A 109.5 . . ?
C10 C9 H9B 109.5 . . ?
C10 C9 B4 110.53(11) . . ?
H9A C9 H9B 108.1 . . ?
B4 C9 H9A 109.5 . . ?
B4 C9 H9B 109.5 . . ?
C11 C16 H16 119.7 . . ?
C15 C16 C11 120.53(16) . . ?
C15 C16 H16 119.7 . . ?
C6 C7 H7 120.7 . . ?
C6 C7 C8 118.67(13) . . ?
C8 C7 H7 120.7 . . ?
C11 C12 H12 119.9 . . ?
C11 C12 C13 120.24(17) . . ?
C13 C12 H12 119.9 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
N1 C8 C7 123.58(14) . . ?
N1 C8 H8 118.2 . . ?
C7 C8 H8 118.2 . . ?
C16 C15 H15 119.9 . . ?
C14 C15 C16 120.13(17) . . ?
C14 C15 H15 119.9 . . ?
C15 C14 H14 119.8 . . ?
C15 C14 C13 120.34(17) . . ?
C13 C14 H14 119.8 . . ?
C12 C13 H13 119.9 . . ?
C14 C13 C12 120.15(18) . . ?
C14 C13 H13 119.9 . . ?
C1 B4 B5 58.18(7) . . ?
C1 B4 B3 59.15(8) . . ?
C1 B4 B9 104.10(10) . . ?
C1 B4 B8 104.66(10) . . ?
C9 B4 C1 117.65(10) . . ?
C9 B4 B5 118.99(11) . . ?
C9 B4 B3 120.58(11) . . ?
C9 B4 B9 127.87(11) . . ?
C9 B4 B8 128.66(11) . . ?
B3 B4 B5 107.03(10) . . ?
B9 B4 B5 59.33(8) . . ?
B9 B4 B3 106.78(10) . . ?
B9 B4 B8 60.03(8) . . ?
B8 B4 B5 107.21(10) . . ?
B8 B4 B3 59.06(8) . . ?
C1 B5 B4 58.61(7) . . ?
C1 B5 H5A 117.5 . . ?
C1 B5 B6 59.42(8) . . ?
C1 B5 B10 105.65(10) . . ?
C1 B5 B9 104.96(10) . . ?
B4 B5 H5A 118.5 . . ?
B6 B5 B4 108.28(10) . . ?
B6 B5 H5A 119.6 . . ?
B10 B5 B4 108.83(10) . . ?
B10 B5 H5A 127.4 . . ?
B10 B5 B6 59.61(9) . . ?
B9 B5 B4 60.01(8) . . ?
B9 B5 H5A 127.4 . . ?
B9 B5 B6 107.89(10) . . ?
B9 B5 B10 60.61(8) . . ?
C1 B3 B4 58.40(7) . . ?
C1 B3 H3 117.6 . . ?
C1 B3 B7 105.34(10) . . ?
C1 B3 B8 105.16(10) . . ?
C2 B3 C1 58.46(7) . . ?
C2 B3 B4 105.89(10) . . ?
C2 B3 H3 116.9 . . ?
C2 B3 B7 58.37(8) . . ?
C2 B3 B8 105.47(10) . . ?
B4 B3 H3 124.0 . . ?
B7 B3 B4 108.67(10) . . ?
B7 B3 H3 123.7 . . ?
B8 B3 B4 60.44(8) . . ?
B8 B3 H3 130.7 . . ?
B8 B3 B7 60.39(9) . . ?
C1 B6 B5 58.38(8) . . ?
C1 B6 H6A 120.8 . . ?
C1 B6 B10 105.28(10) . . ?
C1 B6 B11 105.64(10) . . ?
C2 B6 C1 58.44(7) . . ?
C2 B6 B5 105.48(10) . . ?
C2 B6 H6A 120.4 . . ?
C2 B6 B10 105.40(11) . . ?
C2 B6 B11 58.62(8) . . ?
B5 B6 H6A 123.5 . . ?
B10 B6 B5 60.16(8) . . ?
B10 B6 H6A 126.7 . . ?
B10 B6 B11 60.19(9) . . ?
B11 B6 B5 108.17(11) . . ?
B11 B6 H6A 122.8 . . ?
C2 B7 B3 59.43(8) . . ?
C2 B7 H7A 116.9 . . ?
C2 B7 B11 59.00(8) . . ?
C2 B7 B8 105.69(10) . . ?
C2 B7 B12 105.55(11) . . ?
B3 B7 H7A 117.2 . . ?
B3 B7 B11 108.49(11) . . ?
B3 B7 B8 59.63(9) . . ?
B3 B7 B12 108.18(11) . . ?
B11 B7 H7A 120.6 . . ?
B11 B7 B8 108.60(11) . . ?
B11 B7 B12 60.03(9) . . ?
B8 B7 H7A 126.3 . . ?
B8 B7 B12 60.54(9) . . ?
B12 B7 H7A 128.8 . . ?
B5 B10 H10 122.1 . . ?
B5 B10 B9 59.63(8) . . ?
B5 B10 B12 107.61(10) . . ?
B6 B10 B5 60.23(8) . . ?
B6 B10 H10 122.3 . . ?
B6 B10 B11 60.09(9) . . ?
B6 B10 B9 107.60(10) . . ?
B6 B10 B12 107.81(11) . . ?
B11 B10 B5 108.14(10) . . ?
B11 B10 H10 121.8 . . ?
B11 B10 B9 107.47(11) . . ?
B11 B10 B12 59.84(9) . . ?
B9 B10 H10 121.9 . . ?
B12 B10 H10 121.4 . . ?
B12 B10 B9 59.64(9) . . ?
C2 B11 B6 59.31(8) . . ?
C2 B11 B7 58.44(9) . . ?
C2 B11 B10 105.57(10) . . ?
C2 B11 H11 115.2 . . ?
C2 B11 B12 105.15(11) . . ?
B6 B11 B7 107.87(10) . . ?
B6 B11 B10 59.71(9) . . ?
B6 B11 H11 116.0 . . ?
B6 B11 B12 107.97(11) . . ?
B7 B11 B10 108.37(11) . . ?
B7 B11 H11 120.8 . . ?
B7 B11 B12 60.07(9) . . ?
B10 B11 H11 127.3 . . ?
B10 B11 B12 60.41(9) . . ?
B12 B11 H11 130.9 . . ?
B4 B9 B10 108.67(10) . . ?
B4 B9 H9 121.0 . . ?
B4 B9 B8 60.04(8) . . ?
B5 B9 B4 60.65(8) . . ?
B5 B9 B10 59.76(8) . . ?
B5 B9 H9 120.1 . . ?
B5 B9 B8 108.26(10) . . ?
B5 B9 B12 108.05(10) . . ?
B10 B9 H9 120.8 . . ?
B8 B9 B10 108.24(11) . . ?
B8 B9 H9 123.1 . . ?
B12 B9 B4 108.68(11) . . ?
B12 B9 B10 60.05(9) . . ?
B12 B9 H9 122.5 . . ?
B12 B9 B8 60.29(9) . . ?
B4 B8 H8A 116.9 . . ?
B4 B8 B12 108.05(11) . . ?
B3 B8 B4 60.51(8) . . ?
B3 B8 B7 59.98(9) . . ?
B3 B8 B9 107.84(10) . . ?
B3 B8 H8A 119.7 . . ?
B3 B8 B12 107.83(11) . . ?
B7 B8 B4 108.40(11) . . ?
B7 B8 B9 107.33(11) . . ?
B7 B8 H8A 125.1 . . ?
B7 B8 B12 59.74(9) . . ?
B9 B8 B4 59.93(8) . . ?
B9 B8 H8A 121.2 . . ?
B9 B8 B12 59.62(9) . . ?
B12 B8 H8A 125.8 . . ?
B7 B12 B10 107.69(11) . . ?
B7 B12 B9 107.69(10) . . ?
B7 B12 B8 59.72(9) . . ?
B7 B12 H12A 121.5 . . ?
B10 B12 B8 108.28(10) . . ?
B10 B12 H12A 122.0 . . ?
B11 B12 B7 59.89(9) . . ?
B11 B12 B10 59.75(9) . . ?
B11 B12 B9 107.92(11) . . ?
B11 B12 B8 107.84(11) . . ?
B11 B12 H12A 121.6 . . ?
B9 B12 B10 60.31(9) . . ?
B9 B12 B8 60.09(9) . . ?
B9 B12 H12A 122.2 . . ?
B8 B12 H12A 121.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C10 C11 C16 169.21(13) . . . . ?
O1 C10 C11 C12 -9.01(19) . . . . ?
O1 C10 C9 B4 89.26(16) . . . . ?
N1 C4 C5 C6 -0.4(2) . . . . ?
C1 C4 C5 C6 -178.06(13) . . . . ?
C1 C2 B3 B4 -35.51(9) . . . . ?
C1 C2 B3 B7 -137.96(10) . . . . ?
C1 C2 B3 B8 -98.54(10) . . . . ?
C1 C2 B6 B5 36.05(9) . . . . ?
C1 C2 B6 B10 98.71(10) . . . . ?
C1 C2 B6 B11 138.18(11) . . . . ?
C1 C2 B7 B3 38.72(10) . . . . ?
C1 C2 B7 B11 -102.96(11) . . . . ?
C1 C2 B7 B8 -0.38(14) . . . . ?
C1 C2 B7 B12 -63.50(13) . . . . ?
C1 C2 B11 B6 -38.41(10) . . . . ?
C1 C2 B11 B7 103.15(11) . . . . ?
C1 C2 B11 B10 0.86(14) . . . . ?
C1 C2 B11 B12 63.76(13) . . . . ?
C1 B4 B5 B6 -33.99(9) . . . . ?
C1 B4 B5 B10 -97.23(11) . . . . ?
C1 B4 B5 B9 -134.53(10) . . . . ?
C1 B4 B3 C2 35.53(9) . . . . ?
C1 B4 B3 B7 96.89(11) . . . . ?
C1 B4 B3 B8 134.58(10) . . . . ?
C1 B4 B9 B5 38.65(9) . . . . ?
C1 B4 B9 B10 1.75(13) . . . . ?
C1 B4 B9 B8 -99.00(10) . . . . ?
C1 B4 B9 B12 -62.01(12) . . . . ?
C1 B4 B8 B3 -39.20(9) . . . . ?
C1 B4 B8 B7 -1.75(13) . . . . ?
C1 B4 B8 B9 98.04(10) . . . . ?
C1 B4 B8 B12 61.50(13) . . . . ?
C1 B5 B6 C2 -36.08(9) . . . . ?
C1 B5 B6 B10 -135.22(11) . . . . ?
C1 B5 B6 B11 -97.54(11) . . . . ?
C1 B5 B10 B6 39.03(9) . . . . ?
C1 B5 B10 B11 1.40(14) . . . . ?
C1 B5 B10 B9 -98.63(11) . . . . ?
C1 B5 B10 B12 -61.82(13) . . . . ?
C1 B5 B9 B4 -39.04(9) . . . . ?
C1 B5 B9 B10 99.78(11) . . . . ?
C1 B5 B9 B8 -1.12(13) . . . . ?
C1 B5 B9 B12 62.69(12) . . . . ?
C1 B3 B7 C2 -36.29(9) . . . . ?
C1 B3 B7 B11 -2.20(14) . . . . ?
C1 B3 B7 B8 98.98(11) . . . . ?
C1 B3 B7 B12 61.40(13) . . . . ?
C1 B3 B8 B4 38.94(9) . . . . ?
C1 B3 B8 B7 -99.28(11) . . . . ?
C1 B3 B8 B9 0.83(13) . . . . ?
C1 B3 B8 B12 -62.13(12) . . . . ?
C1 B6 B10 B5 -38.45(9) . . . . ?
C1 B6 B10 B11 99.53(11) . . . . ?
C1 B6 B10 B9 -0.88(13) . . . . ?
C1 B6 B10 B12 62.05(12) . . . . ?
C1 B6 B11 C2 36.16(9) . . . . ?
C1 B6 B11 B7 2.34(14) . . . . ?
C1 B6 B11 B10 -98.91(11) . . . . ?
C1 B6 B11 B12 -61.14(13) . . . . ?
C4 N1 C8 C7 -0.8(3) . . . . ?
C4 C1 C2 C3 -0.55(16) . . . . ?
C4 C1 C2 B3 -107.96(12) . . . . ?
C4 C1 C2 B6 106.63(12) . . . . ?
C4 C1 C2 B7 -147.18(11) . . . . ?
C4 C1 C2 B11 145.55(11) . . . . ?
C4 C1 B4 C9 -2.61(17) . . . . ?
C4 C1 B4 B5 -111.20(12) . . . . ?
C4 C1 B4 B3 108.25(12) . . . . ?
C4 C1 B4 B9 -150.42(11) . . . . ?
C4 C1 B4 B8 147.40(11) . . . . ?
C4 C1 B5 B4 111.32(12) . . . . ?
C4 C1 B5 B6 -106.75(12) . . . . ?
C4 C1 B5 B10 -145.87(11) . . . . ?
C4 C1 B5 B9 151.04(11) . . . . ?
C4 C1 B3 C2 109.26(11) . . . . ?
C4 C1 B3 B4 -111.73(12) . . . . ?
C4 C1 B3 B7 145.50(11) . . . . ?
C4 C1 B3 B8 -151.66(11) . . . . ?
C4 C1 B6 C2 -109.80(11) . . . . ?
C4 C1 B6 B5 111.96(12) . . . . ?
C4 C1 B6 B10 151.26(11) . . . . ?
C4 C1 B6 B11 -146.04(11) . . . . ?
C4 C5 C6 C7 -0.6(2) . . . . ?
C2 C1 C4 N1 68.86(15) . . . . ?
C2 C1 C4 C5 -113.33(14) . . . . ?
C2 C1 B4 C9 -148.47(11) . . . . ?
C2 C1 B4 B5 102.94(10) . . . . ?
C2 C1 B4 B3 -37.61(9) . . . . ?
C2 C1 B4 B9 63.73(12) . . . . ?
C2 C1 B4 B8 1.54(12) . . . . ?
C2 C1 B5 B4 -103.69(10) . . . . ?
C2 C1 B5 B6 38.24(10) . . . . ?
C2 C1 B5 B10 -0.88(13) . . . . ?
C2 C1 B5 B9 -63.97(12) . . . . ?
C2 C1 B3 B4 139.02(10) . . . . ?
C2 C1 B3 B7 36.25(9) . . . . ?
C2 C1 B3 B8 99.09(10) . . . . ?
C2 C1 B6 B5 -138.24(10) . . . . ?
C2 C1 B6 B10 -98.94(11) . . . . ?
C2 C1 B6 B11 -36.24(9) . . . . ?
C2 B3 B7 B11 34.08(10) . . . . ?
C2 B3 B7 B8 135.26(11) . . . . ?
C2 B3 B7 B12 97.69(11) . . . . ?
C2 B3 B8 B4 99.77(10) . . . . ?
C2 B3 B8 B7 -38.45(10) . . . . ?
C2 B3 B8 B9 61.66(12) . . . . ?
C2 B3 B8 B12 -1.30(13) . . . . ?
C2 B6 B10 B5 -99.27(10) . . . . ?
C2 B6 B10 B11 38.71(9) . . . . ?
C2 B6 B10 B9 -61.71(13) . . . . ?
C2 B6 B10 B12 1.23(13) . . . . ?
C2 B6 B11 B7 -33.82(10) . . . . ?
C2 B6 B11 B10 -135.07(11) . . . . ?
C2 B6 B11 B12 -97.30(11) . . . . ?
C2 B7 B11 B6 34.18(10) . . . . ?
C2 B7 B11 B10 97.35(11) . . . . ?
C2 B7 B11 B12 135.03(11) . . . . ?
C2 B7 B8 B4 1.33(14) . . . . ?
C2 B7 B8 B3 39.01(10) . . . . ?
C2 B7 B8 B9 -61.96(13) . . . . ?
C2 B7 B8 B12 -99.27(11) . . . . ?
C2 B7 B12 B10 -1.74(14) . . . . ?
C2 B7 B12 B11 -38.96(10) . . . . ?
C2 B7 B12 B9 61.90(13) . . . . ?
C2 B7 B12 B8 99.51(11) . . . . ?
C2 B11 B12 B7 38.60(10) . . . . ?
C2 B11 B12 B10 -99.55(11) . . . . ?
C2 B11 B12 B9 -61.86(13) . . . . ?
C2 B11 B12 B8 1.62(14) . . . . ?
C10 C11 C16 C15 -176.82(13) . . . . ?
C10 C11 C12 C13 177.41(14) . . . . ?
C10 C9 B4 C1 -148.50(11) . . . . ?
C10 C9 B4 B5 -81.46(14) . . . . ?
C10 C9 B4 B3 142.78(12) . . . . ?
C10 C9 B4 B9 -9.39(19) . . . . ?
C10 C9 B4 B8 69.77(17) . . . . ?
C5 C6 C7 C8 0.9(2) . . . . ?
C11 C10 C9 B4 -89.37(14) . . . . ?
C11 C16 C15 C14 -0.7(2) . . . . ?
C11 C12 C13 C14 -0.3(3) . . . . ?
C6 C7 C8 N1 -0.2(3) . . . . ?
C9 C10 C11 C16 -12.16(19) . . . . ?
C9 C10 C11 C12 169.62(12) . . . . ?
C9 B4 B5 C1 -106.30(12) . . . . ?
C9 B4 B5 B6 -140.29(11) . . . . ?
C9 B4 B5 B10 156.47(11) . . . . ?
C9 B4 B5 B9 119.17(13) . . . . ?
C9 B4 B3 C1 105.96(13) . . . . ?
C9 B4 B3 C2 141.49(12) . . . . ?
C9 B4 B3 B7 -157.16(12) . . . . ?
C9 B4 B3 B8 -119.46(13) . . . . ?
C9 B4 B9 B5 -104.63(15) . . . . ?
C9 B4 B9 B10 -141.53(13) . . . . ?
C9 B4 B9 B8 117.72(15) . . . . ?
C9 B4 B9 B12 154.70(13) . . . . ?
C9 B4 B8 B3 106.26(15) . . . . ?
C9 B4 B8 B7 143.71(13) . . . . ?
C9 B4 B8 B9 -116.50(15) . . . . ?
C9 B4 B8 B12 -153.04(13) . . . . ?
C16 C11 C12 C13 -0.9(2) . . . . ?
C16 C15 C14 C13 -0.5(3) . . . . ?
C12 C11 C16 C15 1.4(2) . . . . ?
C3 C2 B3 C1 -108.11(12) . . . . ?
C3 C2 B3 B4 -143.62(11) . . . . ?
C3 C2 B3 B7 113.93(13) . . . . ?
C3 C2 B3 B8 153.35(12) . . . . ?
C3 C2 B6 C1 108.11(13) . . . . ?
C3 C2 B6 B5 144.16(12) . . . . ?
C3 C2 B6 B10 -153.18(12) . . . . ?
C3 C2 B6 B11 -113.71(13) . . . . ?
C3 C2 B7 B3 -106.12(14) . . . . ?
C3 C2 B7 B11 112.20(14) . . . . ?
C3 C2 B7 B8 -145.22(13) . . . . ?
C3 C2 B7 B12 151.66(13) . . . . ?
C3 C2 B11 B6 105.94(14) . . . . ?
C3 C2 B11 B7 -112.50(14) . . . . ?
C3 C2 B11 B10 145.21(13) . . . . ?
C3 C2 B11 B12 -151.89(13) . . . . ?
C8 N1 C4 C1 178.83(13) . . . . ?
C8 N1 C4 C5 1.1(2) . . . . ?
C15 C14 C13 C12 1.0(3) . . . . ?
B4 C1 C4 N1 -74.23(15) . . . . ?
B4 C1 C4 C5 103.58(14) . . . . ?
B4 C1 C2 C3 145.87(12) . . . . ?
B4 C1 C2 B3 38.45(9) . . . . ?
B4 C1 C2 B6 -106.96(11) . . . . ?
B4 C1 C2 B7 -0.76(13) . . . . ?
B4 C1 C2 B11 -68.04(12) . . . . ?
B4 C1 B5 B6 141.93(10) . . . . ?
B4 C1 B5 B10 102.81(11) . . . . ?
B4 C1 B5 B9 39.73(9) . . . . ?
B4 C1 B3 C2 -139.02(10) . . . . ?
B4 C1 B3 B7 -102.77(11) . . . . ?
B4 C1 B3 B8 -39.93(9) . . . . ?
B4 C1 B6 C2 101.09(11) . . . . ?
B4 C1 B6 B5 -37.15(10) . . . . ?
B4 C1 B6 B10 2.15(14) . . . . ?
B4 C1 B6 B11 64.85(13) . . . . ?
B4 B5 B6 C1 33.66(9) . . . . ?
B4 B5 B6 C2 -2.42(13) . . . . ?
B4 B5 B6 B10 -101.56(11) . . . . ?
B4 B5 B6 B11 -63.87(12) . . . . ?
B4 B5 B10 B6 100.61(11) . . . . ?
B4 B5 B10 B11 62.97(13) . . . . ?
B4 B5 B10 B9 -37.05(10) . . . . ?
B4 B5 B10 B12 -0.24(14) . . . . ?
B4 B5 B9 B10 138.83(11) . . . . ?
B4 B5 B9 B8 37.92(10) . . . . ?
B4 B5 B9 B12 101.73(11) . . . . ?
B4 B3 B7 C2 -97.55(11) . . . . ?
B4 B3 B7 B11 -63.46(14) . . . . ?
B4 B3 B7 B8 37.72(10) . . . . ?
B4 B3 B7 B12 0.14(14) . . . . ?
B4 B3 B8 B7 -138.22(11) . . . . ?
B4 B3 B8 B9 -38.11(10) . . . . ?
B4 B3 B8 B12 -101.07(11) . . . . ?
B4 B9 B8 B3 38.37(10) . . . . ?
B4 B9 B8 B7 101.62(11) . . . . ?
B4 B9 B8 B12 138.99(11) . . . . ?
B4 B9 B12 B7 0.57(14) . . . . ?
B4 B9 B12 B10 101.25(11) . . . . ?
B4 B9 B12 B11 63.81(13) . . . . ?
B4 B9 B12 B8 -36.88(10) . . . . ?
B4 B8 B12 B7 -101.20(12) . . . . ?
B4 B8 B12 B10 -0.96(15) . . . . ?
B4 B8 B12 B11 -64.15(14) . . . . ?
B4 B8 B12 B9 36.67(10) . . . . ?
B5 C1 C4 N1 -149.15(12) . . . . ?
B5 C1 C4 C5 28.66(17) . . . . ?
B5 C1 C2 C3 -146.08(12) . . . . ?
B5 C1 C2 B3 106.50(10) . . . . ?
B5 C1 C2 B6 -38.91(10) . . . . ?
B5 C1 C2 B7 67.29(12) . . . . ?
B5 C1 C2 B11 0.01(13) . . . . ?
B5 C1 B4 C9 108.59(13) . . . . ?
B5 C1 B4 B3 -140.55(10) . . . . ?
B5 C1 B4 B9 -39.21(9) . . . . ?
B5 C1 B4 B8 -101.40(10) . . . . ?
B5 C1 B3 C2 -100.73(11) . . . . ?
B5 C1 B3 B4 38.29(10) . . . . ?
B5 C1 B3 B7 -64.48(13) . . . . ?
B5 C1 B3 B8 -1.64(13) . . . . ?
B5 C1 B6 C2 138.24(10) . . . . ?
B5 C1 B6 B10 39.30(10) . . . . ?
B5 C1 B6 B11 102.00(11) . . . . ?
B5 B4 B3 C1 -34.38(9) . . . . ?
B5 B4 B3 C2 1.15(12) . . . . ?
B5 B4 B3 B7 62.51(12) . . . . ?
B5 B4 B3 B8 100.21(11) . . . . ?
B5 B4 B9 B10 -36.90(10) . . . . ?
B5 B4 B9 B8 -137.65(11) . . . . ?
B5 B4 B9 B12 -100.66(11) . . . . ?
B5 B4 B8 B3 -99.89(11) . . . . ?
B5 B4 B8 B7 -62.44(13) . . . . ?
B5 B4 B8 B9 37.35(10) . . . . ?
B5 B4 B8 B12 0.81(14) . . . . ?
B5 B6 B10 B11 137.98(11) . . . . ?
B5 B6 B10 B9 37.56(10) . . . . ?
B5 B6 B10 B12 100.50(11) . . . . ?
B5 B6 B11 C2 97.40(11) . . . . ?
B5 B6 B11 B7 63.58(13) . . . . ?
B5 B6 B11 B10 -37.67(10) . . . . ?
B5 B6 B11 B12 0.10(14) . . . . ?
B5 B10 B11 C2 -1.39(14) . . . . ?
B5 B10 B11 B6 37.70(10) . . . . ?
B5 B10 B11 B7 -62.70(14) . . . . ?
B5 B10 B11 B12 -100.24(11) . . . . ?
B5 B10 B9 B4 37.28(10) . . . . ?
B5 B10 B9 B8 100.94(11) . . . . ?
B5 B10 B9 B12 138.56(11) . . . . ?
B5 B10 B12 B7 63.87(13) . . . . ?
B5 B10 B12 B11 101.15(11) . . . . ?
B5 B10 B12 B9 -36.80(10) . . . . ?
B5 B10 B12 B8 0.74(15) . . . . ?
B5 B9 B8 B4 -38.20(10) . . . . ?
B5 B9 B8 B3 0.18(14) . . . . ?
B5 B9 B8 B7 63.43(12) . . . . ?
B5 B9 B8 B12 100.80(11) . . . . ?
B5 B9 B12 B7 -63.71(13) . . . . ?
B5 B9 B12 B10 36.97(10) . . . . ?
B5 B9 B12 B11 -0.47(14) . . . . ?
B5 B9 B12 B8 -101.16(11) . . . . ?
B3 C1 C4 N1 -1.21(16) . . . . ?
B3 C1 C4 C5 176.60(12) . . . . ?
B3 C1 C2 C3 107.42(13) . . . . ?
B3 C1 C2 B6 -145.41(10) . . . . ?
B3 C1 C2 B7 -39.22(10) . . . . ?
B3 C1 C2 B11 -106.49(11) . . . . ?
B3 C1 B4 C9 -110.86(13) . . . . ?
B3 C1 B4 B5 140.55(10) . . . . ?
B3 C1 B4 B9 101.34(10) . . . . ?
B3 C1 B4 B8 39.15(9) . . . . ?
B3 C1 B5 B4 -37.98(10) . . . . ?
B3 C1 B5 B6 103.95(11) . . . . ?
B3 C1 B5 B10 64.83(13) . . . . ?
B3 C1 B5 B9 1.74(13) . . . . ?
B3 C1 B6 C2 32.32(10) . . . . ?
B3 C1 B6 B5 -105.92(11) . . . . ?
B3 C1 B6 B10 -66.62(12) . . . . ?
B3 C1 B6 B11 -3.92(14) . . . . ?
B3 C2 B6 C1 -32.73(10) . . . . ?
B3 C2 B6 B5 3.32(13) . . . . ?
B3 C2 B6 B10 65.99(12) . . . . ?
B3 C2 B6 B11 105.45(12) . . . . ?
B3 C2 B7 B11 -141.68(11) . . . . ?
B3 C2 B7 B8 -39.10(10) . . . . ?
B3 C2 B7 B12 -102.22(11) . . . . ?
B3 C2 B11 B6 -104.78(11) . . . . ?
B3 C2 B11 B7 36.78(10) . . . . ?
B3 C2 B11 B10 -65.50(13) . . . . ?
B3 C2 B11 B12 -2.60(14) . . . . ?
B3 B4 B5 C1 34.78(9) . . . . ?
B3 B4 B5 B6 0.80(13) . . . . ?
B3 B4 B5 B10 -62.44(12) . . . . ?
B3 B4 B5 B9 -99.75(10) . . . . ?
B3 B4 B9 B5 100.19(10) . . . . ?
B3 B4 B9 B10 63.29(13) . . . . ?
B3 B4 B9 B8 -37.46(10) . . . . ?
B3 B4 B9 B12 -0.47(13) . . . . ?
B3 B4 B8 B7 37.45(10) . . . . ?
B3 B4 B8 B9 137.24(11) . . . . ?
B3 B4 B8 B12 100.70(12) . . . . ?
B3 B7 B11 C2 -34.26(10) . . . . ?
B3 B7 B11 B6 -0.08(15) . . . . ?
B3 B7 B11 B10 63.09(14) . . . . ?
B3 B7 B11 B12 100.78(12) . . . . ?
B3 B7 B8 B4 -37.68(10) . . . . ?
B3 B7 B8 B9 -100.97(11) . . . . ?
B3 B7 B8 B12 -138.28(11) . . . . ?
B3 B7 B12 B10 -64.07(13) . . . . ?
B3 B7 B12 B11 -101.30(12) . . . . ?
B3 B7 B12 B9 -0.43(15) . . . . ?
B3 B7 B12 B8 37.18(10) . . . . ?
B3 B8 B12 B7 -37.25(10) . . . . ?
B3 B8 B12 B10 62.99(14) . . . . ?
B3 B8 B12 B11 -0.20(14) . . . . ?
B3 B8 B12 B9 100.63(11) . . . . ?
B6 C1 C4 N1 138.69(12) . . . . ?
B6 C1 C4 C5 -43.50(16) . . . . ?
B6 C1 C2 C3 -107.17(13) . . . . ?
B6 C1 C2 B3 145.41(10) . . . . ?
B6 C1 C2 B7 106.20(11) . . . . ?
B6 C1 C2 B11 38.92(10) . . . . ?
B6 C1 B4 C9 145.34(12) . . . . ?
B6 C1 B4 B5 36.76(10) . . . . ?
B6 C1 B4 B3 -103.80(11) . . . . ?
B6 C1 B4 B9 -2.46(13) . . . . ?
B6 C1 B4 B8 -64.64(12) . . . . ?
B6 C1 B5 B4 -141.93(10) . . . . ?
B6 C1 B5 B10 -39.12(10) . . . . ?
B6 C1 B5 B9 -102.21(11) . . . . ?
B6 C1 B3 C2 -32.39(10) . . . . ?
B6 C1 B3 B4 106.62(11) . . . . ?
B6 C1 B3 B7 3.85(13) . . . . ?
B6 C1 B3 B8 66.70(12) . . . . ?
B6 C2 B3 C1 32.66(10) . . . . ?
B6 C2 B3 B4 -2.84(13) . . . . ?
B6 C2 B3 B7 -105.29(12) . . . . ?
B6 C2 B3 B8 -65.88(13) . . . . ?
B6 C2 B7 B3 104.89(11) . . . . ?
B6 C2 B7 B11 -36.79(11) . . . . ?
B6 C2 B7 B8 65.79(13) . . . . ?
B6 C2 B7 B12 2.67(14) . . . . ?
B6 C2 B11 B7 141.56(11) . . . . ?
B6 C2 B11 B10 39.27(10) . . . . ?
B6 C2 B11 B12 102.17(11) . . . . ?
B6 B5 B10 B11 -37.64(10) . . . . ?
B6 B5 B10 B9 -137.66(11) . . . . ?
B6 B5 B10 B12 -100.85(12) . . . . ?
B6 B5 B9 B4 -101.20(11) . . . . ?
B6 B5 B9 B10 37.63(10) . . . . ?
B6 B5 B9 B8 -63.27(13) . . . . ?
B6 B5 B9 B12 0.53(13) . . . . ?
B6 B10 B11 C2 -39.08(10) . . . . ?
B6 B10 B11 B7 -100.40(11) . . . . ?
B6 B10 B11 B12 -137.93(11) . . . . ?
B6 B10 B9 B4 -0.55(14) . . . . ?
B6 B10 B9 B5 -37.83(10) . . . . ?
B6 B10 B9 B8 63.11(13) . . . . ?
B6 B10 B9 B12 100.72(12) . . . . ?
B6 B10 B12 B7 0.30(14) . . . . ?
B6 B10 B12 B11 37.59(10) . . . . ?
B6 B10 B12 B9 -100.37(11) . . . . ?
B6 B10 B12 B8 -62.82(14) . . . . ?
B6 B11 B12 B7 100.69(11) . . . . ?
B6 B11 B12 B10 -37.46(10) . . . . ?
B6 B11 B12 B9 0.23(14) . . . . ?
B6 B11 B12 B8 63.72(14) . . . . ?
B7 C2 B3 C1 137.96(10) . . . . ?
B7 C2 B3 B4 102.45(11) . . . . ?
B7 C2 B3 B8 39.41(10) . . . . ?
B7 C2 B6 C1 -101.20(11) . . . . ?
B7 C2 B6 B5 -65.15(13) . . . . ?
B7 C2 B6 B10 -2.48(14) . . . . ?
B7 C2 B6 B11 36.98(11) . . . . ?
B7 C2 B11 B6 -141.56(11) . . . . ?
B7 C2 B11 B10 -102.28(12) . . . . ?
B7 C2 B11 B12 -39.38(10) . . . . ?
B7 B3 B8 B4 138.22(11) . . . . ?
B7 B3 B8 B9 100.10(11) . . . . ?
B7 B3 B8 B12 37.14(10) . . . . ?
B7 B11 B12 B10 -138.15(11) . . . . ?
B7 B11 B12 B9 -100.46(11) . . . . ?
B7 B11 B12 B8 -36.97(10) . . . . ?
B7 B8 B12 B10 100.24(12) . . . . ?
B7 B8 B12 B11 37.05(10) . . . . ?
B7 B8 B12 B9 137.87(11) . . . . ?
B10 B5 B6 C1 135.22(11) . . . . ?
B10 B5 B6 C2 99.14(11) . . . . ?
B10 B5 B6 B11 37.69(10) . . . . ?
B10 B5 B9 B4 -138.83(11) . . . . ?
B10 B5 B9 B8 -100.90(11) . . . . ?
B10 B5 B9 B12 -37.10(10) . . . . ?
B10 B6 B11 C2 135.07(11) . . . . ?
B10 B6 B11 B7 101.25(12) . . . . ?
B10 B6 B11 B12 37.77(10) . . . . ?
B10 B11 B12 B7 138.15(11) . . . . ?
B10 B11 B12 B9 37.69(10) . . . . ?
B10 B11 B12 B8 101.18(11) . . . . ?
B10 B9 B8 B4 -101.48(11) . . . . ?
B10 B9 B8 B3 -63.10(13) . . . . ?
B10 B9 B8 B7 0.15(13) . . . . ?
B10 B9 B8 B12 37.51(10) . . . . ?
B10 B9 B12 B7 -100.68(12) . . . . ?
B10 B9 B12 B11 -37.44(10) . . . . ?
B10 B9 B12 B8 -138.13(11) . . . . ?
B11 C2 B3 C1 101.04(11) . . . . ?
B11 C2 B3 B4 65.53(12) . . . . ?
B11 C2 B3 B7 -36.92(11) . . . . ?
B11 C2 B3 B8 2.49(13) . . . . ?
B11 C2 B6 C1 -138.18(11) . . . . ?
B11 C2 B6 B5 -102.13(11) . . . . ?
B11 C2 B6 B10 -39.46(10) . . . . ?
B11 C2 B7 B3 141.68(11) . . . . ?
B11 C2 B7 B8 102.58(12) . . . . ?
B11 C2 B7 B12 39.45(10) . . . . ?
B11 B6 B10 B5 -137.98(11) . . . . ?
B11 B6 B10 B9 -100.41(12) . . . . ?
B11 B6 B10 B12 -37.48(10) . . . . ?
B11 B7 B8 B4 63.30(13) . . . . ?
B11 B7 B8 B3 100.98(12) . . . . ?
B11 B7 B8 B9 0.01(14) . . . . ?
B11 B7 B8 B12 -37.30(10) . . . . ?
B11 B7 B12 B10 37.22(10) . . . . ?
B11 B7 B12 B9 100.86(12) . . . . ?
B11 B7 B12 B8 138.47(11) . . . . ?
B11 B10 B9 B4 -63.90(13) . . . . ?
B11 B10 B9 B5 -101.19(11) . . . . ?
B11 B10 B9 B8 -0.24(13) . . . . ?
B11 B10 B9 B12 37.37(10) . . . . ?
B11 B10 B12 B7 -37.29(10) . . . . ?
B11 B10 B12 B9 -137.96(11) . . . . ?
B11 B10 B12 B8 -100.41(12) . . . . ?
B9 B4 B5 C1 134.53(10) . . . . ?
B9 B4 B5 B6 100.54(11) . . . . ?
B9 B4 B5 B10 37.31(10) . . . . ?
B9 B4 B3 C1 -96.68(10) . . . . ?
B9 B4 B3 C2 -61.15(12) . . . . ?
B9 B4 B3 B7 0.20(13) . . . . ?
B9 B4 B3 B8 37.90(10) . . . . ?
B9 B4 B8 B3 -137.24(11) . . . . ?
B9 B4 B8 B7 -99.79(12) . . . . ?
B9 B4 B8 B12 -36.54(10) . . . . ?
B9 B5 B6 C1 97.15(11) . . . . ?
B9 B5 B6 C2 61.07(12) . . . . ?
B9 B5 B6 B10 -38.08(10) . . . . ?
B9 B5 B6 B11 -0.39(13) . . . . ?
B9 B5 B10 B6 137.66(11) . . . . ?
B9 B5 B10 B11 100.02(12) . . . . ?
B9 B5 B10 B12 36.81(10) . . . . ?
B9 B10 B11 C2 61.57(13) . . . . ?
B9 B10 B11 B6 100.65(11) . . . . ?
B9 B10 B11 B7 0.25(14) . . . . ?
B9 B10 B11 B12 -37.29(10) . . . . ?
B9 B10 B12 B7 100.67(11) . . . . ?
B9 B10 B12 B11 137.96(11) . . . . ?
B9 B10 B12 B8 37.54(10) . . . . ?
B9 B8 B12 B7 -137.87(11) . . . . ?
B9 B8 B12 B10 -37.64(10) . . . . ?
B9 B8 B12 B11 -100.82(12) . . . . ?
B8 B4 B5 C1 96.87(11) . . . . ?
B8 B4 B5 B6 62.89(12) . . . . ?
B8 B4 B5 B10 -0.35(13) . . . . ?
B8 B4 B5 B9 -37.66(10) . . . . ?
B8 B4 B3 C1 -134.58(10) . . . . ?
B8 B4 B3 C2 -99.05(11) . . . . ?
B8 B4 B3 B7 -37.70(10) . . . . ?
B8 B4 B9 B5 137.65(11) . . . . ?
B8 B4 B9 B10 100.75(12) . . . . ?
B8 B4 B9 B12 36.98(10) . . . . ?
B8 B3 B7 C2 -135.26(11) . . . . ?
B8 B3 B7 B11 -101.18(12) . . . . ?
B8 B3 B7 B12 -37.58(11) . . . . ?
B8 B7 B11 C2 -97.51(11) . . . . ?
B8 B7 B11 B6 -63.33(14) . . . . ?
B8 B7 B11 B10 -0.16(14) . . . . ?
B8 B7 B11 B12 37.52(10) . . . . ?
B8 B7 B12 B10 -101.25(11) . . . . ?
B8 B7 B12 B11 -138.47(11) . . . . ?
B8 B7 B12 B9 -37.61(10) . . . . ?
B8 B9 B12 B7 37.44(10) . . . . ?
B8 B9 B12 B10 138.13(11) . . . . ?
B8 B9 B12 B11 100.68(12) . . . . ?
B12 B7 B11 C2 -135.03(11) . . . . ?
B12 B7 B11 B6 -100.86(12) . . . . ?
B12 B7 B11 B10 -37.68(10) . . . . ?
B12 B7 B8 B4 100.61(12) . . . . ?
B12 B7 B8 B3 138.28(11) . . . . ?
B12 B7 B8 B9 37.31(10) . . . . ?
B12 B10 B11 C2 98.85(11) . . . . ?
B12 B10 B11 B6 137.93(11) . . . . ?
B12 B10 B11 B7 37.53(10) . . . . ?
B12 B10 B9 B4 -101.28(12) . . . . ?
B12 B10 B9 B5 -138.56(11) . . . . ?
B12 B10 B9 B8 -37.62(10) . . . . ?
B12 B9 B8 B4 -138.99(11) . . . . ?
B12 B9 B8 B3 -100.62(12) . . . . ?
B12 B9 B8 B7 -37.37(10) . . . . ?

_shelx_SHELXL_version_number     2014/7
_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_3ag
_database_code_depnum_ccdc_archive 'CCDC 2004240'
loop_
_audit_author_name
_audit_author_address
'Hou-ji Cao'
;Nanjing University
China
;
_audit_update_record             
;
2020-05-16 deposited with the CCDC.	2021-11-19 downloaded from the CCDC.
;
_audit_creation_date             2020-05-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r1)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C17 H25 B10 N O2'
_chemical_formula_sum            'C17 H25 B10 N O2'
_chemical_formula_weight         383.48
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   7.9346(7)
_cell_length_b                   33.245(3)
_cell_length_c                   8.0629(7)
_cell_angle_alpha                90
_cell_angle_beta                 97.9930(10)
_cell_angle_gamma                90
_cell_volume                     2106.2(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5537
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.61
_cell_measurement_theta_min      2.45
_shelx_estimated_absorpt_T_max   0.989
_shelx_estimated_absorpt_T_min   0.987
_exptl_absorpt_coefficient_mu    0.069
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5828
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1370 before and 0.0555 after correction.
The Ratio of minimum to maximum transmission is 0.7817.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.209
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             800
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0419
_diffrn_reflns_av_unetI/netI     0.0376
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       42
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            19455
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.865
_diffrn_reflns_theta_min         2.451
_diffrn_ambient_temperature      296.15
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4096
_reflns_number_total             4983
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.298
_refine_diff_density_min         -0.280
_refine_diff_density_rms         0.050
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     356
_refine_ls_number_reflns         4983
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0659
_refine_ls_R_factor_gt           0.0540
_refine_ls_restrained_S_all      1.060
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0711P)²+0.9125P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1437
_refine_ls_wR_factor_ref         0.1520
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 C8, N1
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.01
3.a Aromatic/amide H refined with riding coordinates:
 C5(H5)
3.b Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O2 O 0.61743(15) 0.55781(4) 0.39835(14) 0.0312(3) Uani 1 1 d . . . . .
O1 O 0.24604(15) 0.54309(4) 0.70408(16) 0.0359(3) Uani 1 1 d . . . . .
C11 C 0.53125(18) 0.54050(4) 0.65847(18) 0.0218(3) Uani 1 1 d . . . . .
N1 N 0.1701(2) 0.61851(5) 0.09484(19) 0.0404(4) Uani 1 1 d . U . . .
C16 C 0.66040(19) 0.54300(4) 0.55545(19) 0.0231(3) Uani 1 1 d . . . . .
C4 C 0.11231(19) 0.64508(5) 0.19916(18) 0.0243(3) Uani 1 1 d . . . . .
C10 C 0.34897(19) 0.55311(4) 0.61216(19) 0.0237(3) Uani 1 1 d . . . . .
C1 C 0.23687(19) 0.65889(4) 0.34721(18) 0.0230(3) Uani 1 1 d . . . . .
C9 C 0.2899(2) 0.57805(5) 0.4596(2) 0.0264(3) Uani 1 1 d . . . . .
C12 C 0.5739(2) 0.52405(5) 0.8185(2) 0.0289(3) Uani 1 1 d . . . . .
C2 C 0.3635(2) 0.69828(5) 0.3207(2) 0.0283(3) Uani 1 1 d . . . . .
C15 C 0.8252(2) 0.53033(5) 0.6159(2) 0.0309(4) Uani 1 1 d . . . . .
C5 C -0.0511(2) 0.65918(5) 0.1781(2) 0.0335(4) Uani 1 1 d . . . . .
H5 H -0.0876 0.6773 0.2534 0.040 Uiso 1 1 calc R . . . .
C13 C 0.7361(2) 0.51054(6) 0.8768(2) 0.0358(4) Uani 1 1 d . . . . .
C14 C 0.8607(2) 0.51413(6) 0.7747(2) 0.0360(4) Uani 1 1 d . . . . .
C3 C 0.3479(3) 0.71738(6) 0.1484(2) 0.0393(4) Uani 1 1 d . . . . .
H3A H 0.3774 0.6980 0.0690 0.059 Uiso 1 1 calc GR . . . .
H3B H 0.4234 0.7400 0.1515 0.059 Uiso 1 1 calc GR . . . .
H3C H 0.2329 0.7262 0.1158 0.059 Uiso 1 1 calc GR . . . .
C7 C -0.1058(3) 0.61842(7) -0.0671(2) 0.0485(5) Uani 1 1 d . . . . .
C6 C -0.1604(2) 0.64553(7) 0.0409(3) 0.0488(5) Uani 1 1 d . . . . .
C17 C 0.7468(3) 0.56227(7) 0.2938(3) 0.0480(5) Uani 1 1 d . . . . .
B6 B 0.4505(2) 0.65056(5) 0.3407(2) 0.0250(3) Uani 1 1 d . . . . .
C8 C 0.0592(3) 0.60535(7) -0.0373(2) 0.0492(5) Uani 1 1 d . U . . .
B5 B 0.3398(2) 0.62456(5) 0.4869(2) 0.0244(3) Uani 1 1 d . . . . .
B10 B 0.5433(2) 0.64671(5) 0.5510(2) 0.0302(4) Uani 1 1 d . . . . .
B3 B 0.1977(3) 0.70474(6) 0.4354(2) 0.0332(4) Uani 1 1 d . . . . .
B11 B 0.5562(3) 0.69268(6) 0.4419(3) 0.0338(4) Uani 1 1 d . . . . .
B4 B 0.1831(3) 0.65885(6) 0.5456(2) 0.0312(4) Uani 1 1 d . . . . .
B9 B 0.3782(3) 0.65175(6) 0.6796(2) 0.0346(4) Uani 1 1 d . . . . .
B8 B 0.2894(3) 0.70101(7) 0.6467(3) 0.0408(5) Uani 1 1 d . . . . .
B12 B 0.5122(3) 0.69338(6) 0.6517(3) 0.0394(5) Uani 1 1 d . . . . .
B7 B 0.4005(3) 0.72602(6) 0.5002(3) 0.0384(5) Uani 1 1 d . . . . .
H3 H 0.080(2) 0.7219(6) 0.382(2) 0.027(4) Uiso 1 1 d . . . . .
H4 H 0.052(3) 0.6472(6) 0.564(3) 0.044(6) Uiso 1 1 d . . . . .
H15 H 0.909(3) 0.5326(6) 0.546(2) 0.033(5) Uiso 1 1 d . . . . .
H6A H 0.486(2) 0.6385(6) 0.227(2) 0.035(5) Uiso 1 1 d . . . . .
H9A H 0.338(2) 0.5678(6) 0.365(2) 0.029(5) Uiso 1 1 d . . . . .
H9 H 0.381(3) 0.6353(6) 0.795(3) 0.042(5) Uiso 1 1 d . . . . .
H9B H 0.165(3) 0.5760(6) 0.445(2) 0.034(5) Uiso 1 1 d . . . . .
H10 H 0.657(2) 0.6279(6) 0.588(2) 0.033(5) Uiso 1 1 d . . . . .
H12 H 0.487(2) 0.5232(6) 0.889(2) 0.031(5) Uiso 1 1 d . . . . .
H17A H 0.798(3) 0.5370(8) 0.280(3) 0.058(7) Uiso 1 1 d . . . . .
H13 H 0.757(3) 0.4980(7) 0.982(3) 0.044(6) Uiso 1 1 d . . . . .
H7A H 0.413(3) 0.7579(7) 0.488(3) 0.046(6) Uiso 1 1 d . . . . .
H11 H 0.668(3) 0.7060(7) 0.393(3) 0.044(6) Uiso 1 1 d . . . . .
H12A H 0.606(3) 0.7049(8) 0.751(3) 0.062(7) Uiso 1 1 d . . . . .
H14 H 0.970(3) 0.5061(7) 0.810(3) 0.053(7) Uiso 1 1 d . . . . .
H17B H 0.827(4) 0.5832(9) 0.349(3) 0.072(8) Uiso 1 1 d . . . . .
H8A H 0.235(3) 0.7175(7) 0.739(3) 0.058(7) Uiso 1 1 d . . . . .
H17C H 0.675(3) 0.5726(8) 0.185(3) 0.063(7) Uiso 1 1 d . . . . .
H8 H 0.107(4) 0.5861(9) -0.109(3) 0.077(8) Uiso 1 1 d . . . . .
H6 H -0.272(4) 0.6554(8) 0.026(3) 0.072(8) Uiso 1 1 d . . . . .
H7 H -0.178(3) 0.6086(8) -0.162(3) 0.061(7) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O2 C16 1.3576(18) . ?
O2 C17 1.424(2) . ?
O1 C10 1.2230(19) . ?
C11 C16 1.408(2) . ?
C11 C10 1.502(2) . ?
C11 C12 1.399(2) . ?
N1 C4 1.344(2) . ?
N1 C8 1.357(3) . ?
C16 C15 1.395(2) . ?
C4 C1 1.511(2) . ?
C4 C5 1.367(2) . ?
C10 C9 1.503(2) . ?
C1 C2 1.682(2) . ?
C1 B6 1.725(2) . ?
C1 B5 1.727(2) . ?
C1 B3 1.729(2) . ?
C1 B4 1.712(2) . ?
C9 B5 1.604(2) . ?
C9 H9A 0.962(19) . ?
C9 H9B 0.98(2) . ?
C12 C13 1.383(2) . ?
C12 H12 0.96(2) . ?
C2 C3 1.516(2) . ?
C2 B6 1.729(2) . ?
C2 B3 1.724(3) . ?
C2 B11 1.706(3) . ?
C2 B7 1.707(3) . ?
C15 C14 1.382(3) . ?
C15 H15 0.93(2) . ?
C5 H5 0.9300 . ?
C5 C6 1.384(3) . ?
C13 C14 1.377(3) . ?
C13 H13 0.94(2) . ?
C14 H14 0.91(2) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C7 C6 1.365(3) . ?
C7 C8 1.368(3) . ?
C7 H7 0.95(3) . ?
C6 H6 0.94(3) . ?
C17 H17A 0.95(3) . ?
C17 H17B 1.01(3) . ?
C17 H17C 1.03(3) . ?
B6 B5 1.787(2) . ?
B6 B10 1.757(3) . ?
B6 B11 1.772(3) . ?
B6 H6A 1.07(2) . ?
C8 H8 0.97(3) . ?
B5 B10 1.785(3) . ?
B5 B4 1.798(3) . ?
B5 B9 1.787(3) . ?
B10 B11 1.774(3) . ?
B10 B9 1.788(3) . ?
B10 B12 1.784(3) . ?
B10 H10 1.10(2) . ?
B3 B4 1.777(3) . ?
B3 B8 1.761(3) . ?
B3 B7 1.769(3) . ?
B3 H3 1.125(18) . ?
B11 B12 1.775(3) . ?
B11 B7 1.772(3) . ?
B11 H11 1.11(2) . ?
B4 B9 1.776(3) . ?
B4 B8 1.775(3) . ?
B4 H4 1.14(2) . ?
B9 B8 1.788(3) . ?
B9 B12 1.779(3) . ?
B9 H9 1.08(2) . ?
B8 B12 1.781(4) . ?
B8 B7 1.775(3) . ?
B8 H8A 1.06(2) . ?
B12 B7 1.776(3) . ?
B12 H12A 1.08(3) . ?
B7 H7A 1.07(2) . ?

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
C16 O2 C17 118.82(15) . . ?
C16 C11 C10 126.25(13) . . ?
C12 C11 C16 117.68(14) . . ?
C12 C11 C10 116.06(13) . . ?
C4 N1 C8 117.57(17) . . ?
O2 C16 C11 117.56(13) . . ?
O2 C16 C15 122.46(14) . . ?
C15 C16 C11 119.98(14) . . ?
N1 C4 C1 116.83(14) . . ?
N1 C4 C5 123.25(15) . . ?
C5 C4 C1 119.92(14) . . ?
O1 C10 C11 118.31(13) . . ?
O1 C10 C9 119.19(14) . . ?
C11 C10 C9 122.49(13) . . ?
C4 C1 C2 118.21(12) . . ?
C4 C1 B6 117.68(12) . . ?
C4 C1 B5 120.83(12) . . ?
C4 C1 B3 117.23(13) . . ?
C4 C1 B4 121.16(13) . . ?
C2 C1 B6 60.94(9) . . ?
C2 C1 B5 111.13(11) . . ?
C2 C1 B3 60.70(10) . . ?
C2 C1 B4 110.50(12) . . ?
B6 C1 B5 62.36(10) . . ?
B6 C1 B3 112.81(13) . . ?
B5 C1 B3 114.22(12) . . ?
B4 C1 B6 113.67(12) . . ?
B4 C1 B5 63.04(10) . . ?
B4 C1 B3 62.21(11) . . ?
C10 C9 B5 112.10(13) . . ?
C10 C9 H9A 109.9(11) . . ?
C10 C9 H9B 104.6(11) . . ?
B5 C9 H9A 109.4(11) . . ?
B5 C9 H9B 107.9(12) . . ?
H9A C9 H9B 112.8(16) . . ?
C11 C12 H12 117.4(12) . . ?
C13 C12 C11 122.33(15) . . ?
C13 C12 H12 120.2(11) . . ?
C1 C2 B6 60.75(9) . . ?
C1 C2 B3 60.97(10) . . ?
C1 C2 B11 110.24(12) . . ?
C1 C2 B7 110.36(13) . . ?
C3 C2 C1 117.91(13) . . ?
C3 C2 B6 116.79(14) . . ?
C3 C2 B3 117.89(14) . . ?
C3 C2 B11 121.53(15) . . ?
C3 C2 B7 122.20(14) . . ?
B3 C2 B6 112.87(13) . . ?
B11 C2 B6 62.11(10) . . ?
B11 C2 B3 113.35(14) . . ?
B11 C2 B7 62.53(12) . . ?
B7 C2 B6 113.42(13) . . ?
B7 C2 B3 62.06(12) . . ?
C16 C15 H15 118.6(12) . . ?
C14 C15 C16 120.09(15) . . ?
C14 C15 H15 121.3(12) . . ?
C4 C5 H5 121.1 . . ?
C4 C5 C6 117.72(18) . . ?
C6 C5 H5 121.1 . . ?
C12 C13 H13 119.5(13) . . ?
C14 C13 C12 118.70(16) . . ?
C14 C13 H13 121.7(13) . . ?
C15 C14 H14 117.9(15) . . ?
C13 C14 C15 121.18(16) . . ?
C13 C14 H14 120.9(15) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C6 C7 C8 118.62(18) . . ?
C6 C7 H7 122.0(15) . . ?
C8 C7 H7 119.4(15) . . ?
C5 C6 H6 117.6(17) . . ?
C7 C6 C5 120.45(18) . . ?
C7 C6 H6 122.0(17) . . ?
O2 C17 H17A 109.6(15) . . ?
O2 C17 H17B 106.1(15) . . ?
O2 C17 H17C 100.4(14) . . ?
H17A C17 H17B 114(2) . . ?
H17A C17 H17C 113(2) . . ?
H17B C17 H17C 112(2) . . ?
C1 B6 C2 58.30(9) . . ?
C1 B6 B5 58.86(9) . . ?
C1 B6 B10 105.33(13) . . ?
C1 B6 B11 105.27(13) . . ?
C1 B6 H6A 117.5(11) . . ?
C2 B6 B5 106.20(12) . . ?
C2 B6 B10 105.39(12) . . ?
C2 B6 B11 58.32(10) . . ?
C2 B6 H6A 114.3(11) . . ?
B5 B6 H6A 126.4(11) . . ?
B10 B6 B5 60.47(10) . . ?
B10 B6 B11 60.35(10) . . ?
B10 B6 H6A 132.2(11) . . ?
B11 B6 B5 108.86(13) . . ?
B11 B6 H6A 121.6(11) . . ?
N1 C8 C7 122.4(2) . . ?
N1 C8 H8 114.6(17) . . ?
C7 C8 H8 123.1(17) . . ?
C1 B5 B6 58.78(9) . . ?
C1 B5 B10 104.08(12) . . ?
C1 B5 B4 58.08(9) . . ?
C1 B5 B9 103.94(12) . . ?
C9 B5 C1 117.53(12) . . ?
C9 B5 B6 120.68(13) . . ?
C9 B5 B10 129.32(13) . . ?
C9 B5 B4 118.74(14) . . ?
C9 B5 B9 128.04(13) . . ?
B6 B5 B4 106.76(12) . . ?
B10 B5 B6 58.92(10) . . ?
B10 B5 B4 107.05(13) . . ?
B10 B5 B9 60.09(11) . . ?
B9 B5 B6 106.78(13) . . ?
B9 B5 B4 59.38(11) . . ?
B6 B10 B5 60.61(10) . . ?
B6 B10 B11 60.25(10) . . ?
B6 B10 B9 108.04(13) . . ?
B6 B10 B12 108.04(13) . . ?
B6 B10 H10 121.2(10) . . ?
B5 B10 B9 60.00(11) . . ?
B5 B10 H10 121.2(10) . . ?
B11 B10 B5 108.89(13) . . ?
B11 B10 B9 107.71(14) . . ?
B11 B10 B12 59.83(12) . . ?
B11 B10 H10 121.3(10) . . ?
B9 B10 H10 122.4(10) . . ?
B12 B10 B5 108.27(14) . . ?
B12 B10 B9 59.72(12) . . ?
B12 B10 H10 122.0(10) . . ?
C1 B3 B4 58.44(10) . . ?
C1 B3 B8 105.20(13) . . ?
C1 B3 B7 105.43(14) . . ?
C1 B3 H3 118.4(9) . . ?
C2 B3 C1 58.32(9) . . ?
C2 B3 B4 105.59(13) . . ?
C2 B3 B8 105.46(15) . . ?
C2 B3 B7 58.50(11) . . ?
C2 B3 H3 120.7(9) . . ?
B4 B3 H3 121.2(9) . . ?
B8 B3 B4 60.20(12) . . ?
B8 B3 B7 60.38(13) . . ?
B8 B3 H3 127.9(9) . . ?
B7 B3 B4 108.38(14) . . ?
B7 B3 H3 125.5(9) . . ?
C2 B11 B6 59.57(10) . . ?
C2 B11 B10 105.62(13) . . ?
C2 B11 B12 105.37(15) . . ?
C2 B11 B7 58.77(11) . . ?
C2 B11 H11 116.9(11) . . ?
B6 B11 B10 59.41(10) . . ?
B6 B11 B12 107.81(14) . . ?
B6 B11 H11 120.1(11) . . ?
B10 B11 B12 60.38(11) . . ?
B10 B11 H11 128.4(11) . . ?
B12 B11 H11 127.2(11) . . ?
B7 B11 B6 108.29(14) . . ?
B7 B11 B10 108.48(15) . . ?
B7 B11 B12 60.10(12) . . ?
B7 B11 H11 117.9(11) . . ?
C1 B4 B5 58.88(9) . . ?
C1 B4 B3 59.35(10) . . ?
C1 B4 B9 105.02(14) . . ?
C1 B4 B8 105.32(14) . . ?
C1 B4 H4 118.1(11) . . ?
B5 B4 H4 119.7(11) . . ?
B3 B4 B5 108.49(13) . . ?
B3 B4 H4 118.7(11) . . ?
B9 B4 B5 59.99(11) . . ?
B9 B4 B3 107.84(15) . . ?
B9 B4 H4 127.7(11) . . ?
B8 B4 B5 108.65(15) . . ?
B8 B4 B3 59.45(12) . . ?
B8 B4 B9 60.47(12) . . ?
B8 B4 H4 126.5(11) . . ?
B5 B9 B10 59.91(10) . . ?
B5 B9 B8 108.57(13) . . ?
B5 B9 H9 118.4(11) . . ?
B10 B9 H9 121.6(11) . . ?
B4 B9 B5 60.62(10) . . ?
B4 B9 B10 107.88(13) . . ?
B4 B9 B8 59.73(12) . . ?
B4 B9 B12 107.80(14) . . ?
B4 B9 H9 120.4(11) . . ?
B8 B9 B10 107.77(14) . . ?
B8 B9 H9 123.6(11) . . ?
B12 B9 B5 108.45(14) . . ?
B12 B9 B10 60.03(12) . . ?
B12 B9 B8 59.90(13) . . ?
B12 B9 H9 124.2(11) . . ?
B3 B8 B4 60.36(11) . . ?
B3 B8 B9 108.01(14) . . ?
B3 B8 B12 107.91(15) . . ?
B3 B8 B7 60.03(12) . . ?
B3 B8 H8A 119.2(13) . . ?
B4 B8 B9 59.79(11) . . ?
B4 B8 B12 107.75(14) . . ?
B4 B8 B7 108.23(14) . . ?
B4 B8 H8A 121.2(13) . . ?
B9 B8 H8A 124.0(13) . . ?
B12 B8 B9 59.79(12) . . ?
B12 B8 H8A 123.7(13) . . ?
B7 B8 B9 107.82(16) . . ?
B7 B8 B12 59.92(13) . . ?
B7 B8 H8A 120.7(13) . . ?
B10 B12 H12A 121.3(14) . . ?
B11 B12 B10 59.79(11) . . ?
B11 B12 B9 108.10(13) . . ?
B11 B12 B8 107.85(14) . . ?
B11 B12 B7 59.87(12) . . ?
B11 B12 H12A 120.3(13) . . ?
B9 B12 B10 60.25(11) . . ?
B9 B12 B8 60.30(13) . . ?
B9 B12 H12A 122.8(13) . . ?
B8 B12 B10 108.26(14) . . ?
B8 B12 H12A 122.9(13) . . ?
B7 B12 B10 107.82(14) . . ?
B7 B12 B9 108.20(15) . . ?
B7 B12 B8 59.89(13) . . ?
B7 B12 H12A 121.2(14) . . ?
C2 B7 B3 59.44(11) . . ?
C2 B7 B11 58.70(11) . . ?
C2 B7 B8 105.57(14) . . ?
C2 B7 B12 105.27(13) . . ?
C2 B7 H7A 117.5(11) . . ?
B3 B7 B11 108.10(13) . . ?
B3 B7 B8 59.59(12) . . ?
B3 B7 B12 107.78(15) . . ?
B3 B7 H7A 117.4(12) . . ?
B11 B7 B8 108.22(14) . . ?
B11 B7 B12 60.03(12) . . ?
B11 B7 H7A 121.1(12) . . ?
B8 B7 B12 60.19(13) . . ?
B8 B7 H7A 126.0(11) . . ?
B12 B7 H7A 128.8(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
O2 C16 C15 C14 -177.65(15) . . . . ?
O1 C10 C9 B5 102.05(17) . . . . ?
C11 C16 C15 C14 2.1(2) . . . . ?
C11 C10 C9 B5 -76.83(19) . . . . ?
C11 C12 C13 C14 1.2(3) . . . . ?
N1 C4 C1 C2 86.84(18) . . . . ?
N1 C4 C1 B6 16.8(2) . . . . ?
N1 C4 C1 B5 -55.9(2) . . . . ?
N1 C4 C1 B3 156.45(15) . . . . ?
N1 C4 C1 B4 -131.11(16) . . . . ?
N1 C4 C5 C6 -0.8(3) . . . . ?
C16 C11 C10 O1 168.19(15) . . . . ?
C16 C11 C10 C9 -12.9(2) . . . . ?
C16 C11 C12 C13 0.1(2) . . . . ?
C16 C15 C14 C13 -0.7(3) . . . . ?
C4 N1 C8 C7 0.6(3) . . . . ?
C4 C1 C2 C3 -1.0(2) . . . . ?
C4 C1 C2 B6 -107.76(14) . . . . ?
C4 C1 C2 B3 107.13(15) . . . . ?
C4 C1 C2 B11 -146.70(14) . . . . ?
C4 C1 C2 B7 146.10(14) . . . . ?
C4 C1 B6 C2 108.61(14) . . . . ?
C4 C1 B6 B5 -112.24(14) . . . . ?
C4 C1 B6 B10 -152.52(13) . . . . ?
C4 C1 B6 B11 144.66(13) . . . . ?
C4 C1 B5 C9 -3.6(2) . . . . ?
C4 C1 B5 B6 107.35(15) . . . . ?
C4 C1 B5 B10 146.61(14) . . . . ?
C4 C1 B5 B4 -111.86(16) . . . . ?
C4 C1 B5 B9 -151.26(14) . . . . ?
C4 C1 B3 C2 -108.71(14) . . . . ?
C4 C1 B3 B4 112.73(15) . . . . ?
C4 C1 B3 B8 152.26(15) . . . . ?
C4 C1 B3 B7 -144.89(14) . . . . ?
C4 C1 B4 B5 111.36(15) . . . . ?
C4 C1 B4 B3 -106.61(16) . . . . ?
C4 C1 B4 B9 151.29(14) . . . . ?
C4 C1 B4 B8 -145.81(14) . . . . ?
C4 C5 C6 C7 1.0(3) . . . . ?
C10 C11 C16 O2 -0.7(2) . . . . ?
C10 C11 C16 C15 179.59(14) . . . . ?
C10 C11 C12 C13 178.89(16) . . . . ?
C10 C9 B5 C1 -163.95(13) . . . . ?
C10 C9 B5 B6 127.79(15) . . . . ?
C10 C9 B5 B10 54.6(2) . . . . ?
C10 C9 B5 B4 -97.17(16) . . . . ?
C10 C9 B5 B9 -25.1(2) . . . . ?
C1 C4 C5 C6 -179.79(16) . . . . ?
C1 C2 B6 B5 -35.66(11) . . . . ?
C1 C2 B6 B10 -98.76(13) . . . . ?
C1 C2 B6 B11 -138.15(13) . . . . ?
C1 C2 B3 B4 35.84(12) . . . . ?
C1 C2 B3 B8 98.57(14) . . . . ?
C1 C2 B3 B7 138.14(13) . . . . ?
C1 C2 B11 B6 38.35(12) . . . . ?
C1 C2 B11 B10 -0.65(18) . . . . ?
C1 C2 B11 B12 -63.56(16) . . . . ?
C1 C2 B11 B7 -103.08(14) . . . . ?
C1 C2 B7 B3 -38.49(12) . . . . ?
C1 C2 B7 B11 102.88(14) . . . . ?
C1 C2 B7 B8 0.73(18) . . . . ?
C1 C2 B7 B12 63.41(18) . . . . ?
C1 B6 B5 C9 105.60(15) . . . . ?
C1 B6 B5 B10 -134.22(13) . . . . ?
C1 B6 B5 B4 -34.09(11) . . . . ?
C1 B6 B5 B9 -96.39(13) . . . . ?
C1 B6 B10 B5 39.50(11) . . . . ?
C1 B6 B10 B11 -99.10(14) . . . . ?
C1 B6 B10 B9 1.40(16) . . . . ?
C1 B6 B10 B12 -61.75(16) . . . . ?
C1 B6 B11 C2 -36.05(11) . . . . ?
C1 B6 B11 B10 99.20(13) . . . . ?
C1 B6 B11 B12 61.67(16) . . . . ?
C1 B6 B11 B7 -1.89(17) . . . . ?
C1 B5 B10 B6 -39.19(11) . . . . ?
C1 B5 B10 B11 -1.82(17) . . . . ?
C1 B5 B10 B9 98.17(13) . . . . ?
C1 B5 B10 B12 61.67(15) . . . . ?
C1 B5 B4 B3 -33.93(12) . . . . ?
C1 B5 B4 B9 -134.29(14) . . . . ?
C1 B5 B4 B8 -97.01(14) . . . . ?
C1 B5 B9 B10 -98.42(13) . . . . ?
C1 B5 B9 B4 38.75(12) . . . . ?
C1 B5 B9 B8 1.81(18) . . . . ?
C1 B5 B9 B12 -61.73(17) . . . . ?
C1 B3 B4 B5 33.74(12) . . . . ?
C1 B3 B4 B9 97.23(14) . . . . ?
C1 B3 B4 B8 134.94(15) . . . . ?
C1 B3 B8 B4 -38.68(13) . . . . ?
C1 B3 B8 B9 -1.2(2) . . . . ?
C1 B3 B8 B12 61.97(18) . . . . ?
C1 B3 B8 B7 99.36(15) . . . . ?
C1 B3 B7 C2 36.10(11) . . . . ?
C1 B3 B7 B11 1.96(18) . . . . ?
C1 B3 B7 B8 -98.97(14) . . . . ?
C1 B3 B7 B12 -61.48(17) . . . . ?
C1 B4 B9 B5 -39.38(12) . . . . ?
C1 B4 B9 B10 -1.21(17) . . . . ?
C1 B4 B9 B8 99.35(15) . . . . ?
C1 B4 B9 B12 62.20(17) . . . . ?
C1 B4 B8 B3 39.16(13) . . . . ?
C1 B4 B8 B9 -98.84(14) . . . . ?
C1 B4 B8 B12 -61.75(17) . . . . ?
C1 B4 B8 B7 1.59(19) . . . . ?
C9 B5 B10 B6 106.04(18) . . . . ?
C9 B5 B10 B11 143.40(16) . . . . ?
C9 B5 B10 B9 -116.60(18) . . . . ?
C9 B5 B10 B12 -153.11(16) . . . . ?
C9 B5 B4 C1 -106.23(15) . . . . ?
C9 B5 B4 B3 -140.16(14) . . . . ?
C9 B5 B4 B9 119.48(16) . . . . ?
C9 B5 B4 B8 156.77(14) . . . . ?
C9 B5 B9 B10 118.57(18) . . . . ?
C9 B5 B9 B4 -104.26(18) . . . . ?
C9 B5 B9 B8 -141.21(17) . . . . ?
C9 B5 B9 B12 155.25(16) . . . . ?
C12 C11 C16 O2 177.98(14) . . . . ?
C12 C11 C16 C15 -1.8(2) . . . . ?
C12 C11 C10 O1 -10.5(2) . . . . ?
C12 C11 C10 C9 168.41(15) . . . . ?
C12 C13 C14 C15 -0.9(3) . . . . ?
C2 C1 B6 B5 139.15(12) . . . . ?
C2 C1 B6 B10 98.86(13) . . . . ?
C2 C1 B6 B11 36.05(11) . . . . ?
C2 C1 B5 C9 -148.71(14) . . . . ?
C2 C1 B5 B6 -37.81(12) . . . . ?
C2 C1 B5 B10 1.45(16) . . . . ?
C2 C1 B5 B4 102.98(14) . . . . ?
C2 C1 B5 B9 63.58(15) . . . . ?
C2 C1 B3 B4 -138.56(14) . . . . ?
C2 C1 B3 B8 -99.03(16) . . . . ?
C2 C1 B3 B7 -36.18(12) . . . . ?
C2 C1 B4 B5 -103.98(13) . . . . ?
C2 C1 B4 B3 38.04(13) . . . . ?
C2 C1 B4 B9 -64.06(15) . . . . ?
C2 C1 B4 B8 -1.16(17) . . . . ?
C2 B6 B5 C1 35.42(11) . . . . ?
C2 B6 B5 C9 141.02(14) . . . . ?
C2 B6 B5 B10 -98.80(13) . . . . ?
C2 B6 B5 B4 1.33(16) . . . . ?
C2 B6 B5 B9 -60.97(15) . . . . ?
C2 B6 B10 B5 100.18(13) . . . . ?
C2 B6 B10 B11 -38.42(13) . . . . ?
C2 B6 B10 B9 62.08(15) . . . . ?
C2 B6 B10 B12 -1.07(18) . . . . ?
C2 B6 B11 B10 135.25(14) . . . . ?
C2 B6 B11 B12 97.72(15) . . . . ?
C2 B6 B11 B7 34.16(13) . . . . ?
C2 B3 B4 C1 -35.79(11) . . . . ?
C2 B3 B4 B5 -2.05(17) . . . . ?
C2 B3 B4 B9 61.44(16) . . . . ?
C2 B3 B4 B8 99.15(16) . . . . ?
C2 B3 B8 B4 -99.38(14) . . . . ?
C2 B3 B8 B9 -61.93(19) . . . . ?
C2 B3 B8 B12 1.27(18) . . . . ?
C2 B3 B8 B7 38.67(13) . . . . ?
C2 B3 B7 B11 -34.13(13) . . . . ?
C2 B3 B7 B8 -135.07(14) . . . . ?
C2 B3 B7 B12 -97.58(15) . . . . ?
C2 B11 B12 B10 99.49(14) . . . . ?
C2 B11 B12 B9 62.09(17) . . . . ?
C2 B11 B12 B8 -1.66(17) . . . . ?
C2 B11 B12 B7 -38.88(13) . . . . ?
C2 B11 B7 B3 34.43(13) . . . . ?
C2 B11 B7 B8 97.50(15) . . . . ?
C2 B11 B7 B12 134.94(15) . . . . ?
C5 C4 C1 C2 -94.10(18) . . . . ?
C5 C4 C1 B6 -164.16(14) . . . . ?
C5 C4 C1 B5 123.11(16) . . . . ?
C5 C4 C1 B3 -24.5(2) . . . . ?
C5 C4 C1 B4 48.0(2) . . . . ?
C3 C2 B6 C1 -108.55(16) . . . . ?
C3 C2 B6 B5 -144.21(14) . . . . ?
C3 C2 B6 B10 152.69(15) . . . . ?
C3 C2 B6 B11 113.30(17) . . . . ?
C3 C2 B3 C1 108.17(15) . . . . ?
C3 C2 B3 B4 144.01(15) . . . . ?
C3 C2 B3 B8 -153.26(15) . . . . ?
C3 C2 B3 B7 -113.69(16) . . . . ?
C3 C2 B11 B6 -105.88(17) . . . . ?
C3 C2 B11 B10 -144.88(16) . . . . ?
C3 C2 B11 B12 152.21(15) . . . . ?
C3 C2 B11 B7 112.69(17) . . . . ?
C3 C2 B7 B3 106.97(18) . . . . ?
C3 C2 B7 B11 -111.66(18) . . . . ?
C3 C2 B7 B8 146.19(17) . . . . ?
C3 C2 B7 B12 -151.13(17) . . . . ?
C6 C7 C8 N1 -0.3(3) . . . . ?
C17 O2 C16 C11 177.38(16) . . . . ?
C17 O2 C16 C15 -2.9(2) . . . . ?
B6 C1 C2 C3 106.74(16) . . . . ?
B6 C1 C2 B3 -145.11(13) . . . . ?
B6 C1 C2 B11 -38.94(13) . . . . ?
B6 C1 C2 B7 -106.14(14) . . . . ?
B6 C1 B5 C9 -110.91(16) . . . . ?
B6 C1 B5 B10 39.26(12) . . . . ?
B6 C1 B5 B4 140.78(13) . . . . ?
B6 C1 B5 B9 101.39(13) . . . . ?
B6 C1 B3 C2 32.85(12) . . . . ?
B6 C1 B3 B4 -105.71(14) . . . . ?
B6 C1 B3 B8 -66.18(17) . . . . ?
B6 C1 B3 B7 -3.33(17) . . . . ?
B6 C1 B4 B5 -37.70(12) . . . . ?
B6 C1 B4 B3 104.32(14) . . . . ?
B6 C1 B4 B9 2.22(17) . . . . ?
B6 C1 B4 B8 65.12(16) . . . . ?
B6 C2 B3 C1 -32.80(12) . . . . ?
B6 C2 B3 B4 3.04(18) . . . . ?
B6 C2 B3 B8 65.77(17) . . . . ?
B6 C2 B3 B7 105.34(14) . . . . ?
B6 C2 B11 B10 -39.00(12) . . . . ?
B6 C2 B11 B12 -101.91(14) . . . . ?
B6 C2 B11 B7 -141.43(14) . . . . ?
B6 C2 B7 B3 -104.47(14) . . . . ?
B6 C2 B7 B11 36.91(14) . . . . ?
B6 C2 B7 B8 -65.25(18) . . . . ?
B6 C2 B7 B12 -2.6(2) . . . . ?
B6 B5 B10 B11 37.36(13) . . . . ?
B6 B5 B10 B9 137.36(13) . . . . ?
B6 B5 B10 B12 100.85(14) . . . . ?
B6 B5 B4 C1 34.38(11) . . . . ?
B6 B5 B4 B3 0.45(17) . . . . ?
B6 B5 B4 B9 -99.92(13) . . . . ?
B6 B5 B4 B8 -62.63(16) . . . . ?
B6 B5 B9 B10 -37.30(12) . . . . ?
B6 B5 B9 B4 99.87(13) . . . . ?
B6 B5 B9 B8 62.93(18) . . . . ?
B6 B5 B9 B12 -0.61(18) . . . . ?
B6 B10 B11 C2 39.07(12) . . . . ?
B6 B10 B11 B12 138.14(15) . . . . ?
B6 B10 B11 B7 100.76(15) . . . . ?
B6 B10 B9 B5 38.37(12) . . . . ?
B6 B10 B9 B4 -0.13(17) . . . . ?
B6 B10 B9 B8 -63.21(16) . . . . ?
B6 B10 B9 B12 -100.77(14) . . . . ?
B6 B10 B12 B11 -37.53(14) . . . . ?
B6 B10 B12 B9 100.78(14) . . . . ?
B6 B10 B12 B8 62.92(18) . . . . ?
B6 B10 B12 B7 -0.4(2) . . . . ?
B6 B11 B12 B10 37.11(13) . . . . ?
B6 B11 B12 B9 -0.30(19) . . . . ?
B6 B11 B12 B8 -64.05(17) . . . . ?
B6 B11 B12 B7 -101.27(15) . . . . ?
B6 B11 B7 C2 -34.48(12) . . . . ?
B6 B11 B7 B3 -0.05(19) . . . . ?
B6 B11 B7 B8 63.01(18) . . . . ?
B6 B11 B7 B12 100.46(15) . . . . ?
C8 N1 C4 C1 179.04(16) . . . . ?
C8 N1 C4 C5 0.0(3) . . . . ?
C8 C7 C6 C5 -0.5(3) . . . . ?
B5 C1 C2 C3 145.15(14) . . . . ?
B5 C1 C2 B6 38.41(12) . . . . ?
B5 C1 C2 B3 -106.70(13) . . . . ?
B5 C1 C2 B11 -0.53(17) . . . . ?
B5 C1 C2 B7 -67.73(16) . . . . ?
B5 C1 B6 C2 -139.15(12) . . . . ?
B5 C1 B6 B10 -40.28(11) . . . . ?
B5 C1 B6 B11 -103.09(13) . . . . ?
B5 C1 B3 C2 101.59(13) . . . . ?
B5 C1 B3 B4 -36.97(14) . . . . ?
B5 C1 B3 B8 2.56(19) . . . . ?
B5 C1 B3 B7 65.41(16) . . . . ?
B5 C1 B4 B3 142.03(14) . . . . ?
B5 C1 B4 B9 39.92(12) . . . . ?
B5 C1 B4 B8 102.82(15) . . . . ?
B5 B6 B10 B11 -138.60(14) . . . . ?
B5 B6 B10 B9 -38.10(12) . . . . ?
B5 B6 B10 B12 -101.25(15) . . . . ?
B5 B6 B11 C2 -97.80(13) . . . . ?
B5 B6 B11 B10 37.45(13) . . . . ?
B5 B6 B11 B12 -0.08(18) . . . . ?
B5 B6 B11 B7 -63.64(16) . . . . ?
B5 B10 B11 C2 1.55(18) . . . . ?
B5 B10 B11 B6 -37.52(13) . . . . ?
B5 B10 B11 B12 100.62(16) . . . . ?
B5 B10 B11 B7 63.24(17) . . . . ?
B5 B10 B9 B4 -38.50(12) . . . . ?
B5 B10 B9 B8 -101.58(14) . . . . ?
B5 B10 B9 B12 -139.14(14) . . . . ?
B5 B10 B12 B11 -101.68(14) . . . . ?
B5 B10 B12 B9 36.63(12) . . . . ?
B5 B10 B12 B8 -1.23(18) . . . . ?
B5 B10 B12 B7 -64.57(19) . . . . ?
B5 B4 B9 B10 38.17(12) . . . . ?
B5 B4 B9 B8 138.73(15) . . . . ?
B5 B4 B9 B12 101.58(15) . . . . ?
B5 B4 B8 B3 100.92(14) . . . . ?
B5 B4 B8 B9 -37.08(13) . . . . ?
B5 B4 B8 B12 0.01(18) . . . . ?
B5 B4 B8 B7 63.35(18) . . . . ?
B5 B9 B8 B3 -0.4(2) . . . . ?
B5 B9 B8 B4 37.33(14) . . . . ?
B5 B9 B8 B12 -101.02(16) . . . . ?
B5 B9 B8 B7 -63.80(19) . . . . ?
B5 B9 B12 B10 -36.63(13) . . . . ?
B5 B9 B12 B11 0.6(2) . . . . ?
B5 B9 B12 B8 101.22(15) . . . . ?
B5 B9 B12 B7 63.92(19) . . . . ?
B10 B6 B5 C1 134.22(13) . . . . ?
B10 B6 B5 C9 -120.18(16) . . . . ?
B10 B6 B5 B4 100.13(13) . . . . ?
B10 B6 B5 B9 37.83(13) . . . . ?
B10 B6 B11 C2 -135.25(14) . . . . ?
B10 B6 B11 B12 -37.53(14) . . . . ?
B10 B6 B11 B7 -101.09(16) . . . . ?
B10 B5 B4 C1 96.24(13) . . . . ?
B10 B5 B4 B3 62.31(16) . . . . ?
B10 B5 B4 B9 -38.05(12) . . . . ?
B10 B5 B4 B8 -0.76(17) . . . . ?
B10 B5 B9 B4 137.17(13) . . . . ?
B10 B5 B9 B8 100.23(16) . . . . ?
B10 B5 B9 B12 36.69(13) . . . . ?
B10 B11 B12 B9 -37.40(14) . . . . ?
B10 B11 B12 B8 -101.15(15) . . . . ?
B10 B11 B12 B7 -138.38(15) . . . . ?
B10 B11 B7 C2 -97.44(14) . . . . ?
B10 B11 B7 B3 -63.00(17) . . . . ?
B10 B11 B7 B8 0.06(18) . . . . ?
B10 B11 B7 B12 37.50(13) . . . . ?
B10 B9 B8 B3 63.03(19) . . . . ?
B10 B9 B8 B4 100.73(14) . . . . ?
B10 B9 B8 B12 -37.62(13) . . . . ?
B10 B9 B8 B7 -0.40(19) . . . . ?
B10 B9 B12 B11 37.20(13) . . . . ?
B10 B9 B12 B8 137.86(14) . . . . ?
B10 B9 B12 B7 100.55(15) . . . . ?
B10 B12 B7 C2 1.7(2) . . . . ?
B10 B12 B7 B3 63.97(19) . . . . ?
B10 B12 B7 B11 -37.08(14) . . . . ?
B10 B12 B7 B8 101.19(16) . . . . ?
B3 C1 C2 C3 -108.15(16) . . . . ?
B3 C1 C2 B6 145.11(13) . . . . ?
B3 C1 C2 B11 106.17(15) . . . . ?
B3 C1 C2 B7 38.97(13) . . . . ?
B3 C1 B6 C2 -32.76(12) . . . . ?
B3 C1 B6 B5 106.38(13) . . . . ?
B3 C1 B6 B10 66.10(15) . . . . ?
B3 C1 B6 B11 3.29(16) . . . . ?
B3 C1 B5 C9 144.95(15) . . . . ?
B3 C1 B5 B6 -104.14(14) . . . . ?
B3 C1 B5 B10 -64.88(16) . . . . ?
B3 C1 B5 B4 36.64(14) . . . . ?
B3 C1 B5 B9 -2.75(17) . . . . ?
B3 C1 B4 B5 -142.03(14) . . . . ?
B3 C1 B4 B9 -102.10(15) . . . . ?
B3 C1 B4 B8 -39.20(14) . . . . ?
B3 C2 B6 C1 32.88(12) . . . . ?
B3 C2 B6 B5 -2.78(17) . . . . ?
B3 C2 B6 B10 -65.89(16) . . . . ?
B3 C2 B6 B11 -105.27(15) . . . . ?
B3 C2 B11 B6 104.51(14) . . . . ?
B3 C2 B11 B10 65.52(17) . . . . ?
B3 C2 B11 B12 2.61(17) . . . . ?
B3 C2 B11 B7 -36.92(14) . . . . ?
B3 C2 B7 B11 141.38(14) . . . . ?
B3 C2 B7 B8 39.22(14) . . . . ?
B3 C2 B7 B12 101.91(17) . . . . ?
B3 B4 B9 B5 -101.47(14) . . . . ?
B3 B4 B9 B10 -63.30(16) . . . . ?
B3 B4 B9 B8 37.26(14) . . . . ?
B3 B4 B9 B12 0.11(18) . . . . ?
B3 B4 B8 B9 -138.00(15) . . . . ?
B3 B4 B8 B12 -100.91(16) . . . . ?
B3 B4 B8 B7 -37.57(14) . . . . ?
B3 B8 B12 B10 -62.99(18) . . . . ?
B3 B8 B12 B11 0.24(19) . . . . ?
B3 B8 B12 B9 -100.83(15) . . . . ?
B3 B8 B12 B7 37.45(13) . . . . ?
B3 B8 B7 C2 -39.15(13) . . . . ?
B3 B8 B7 B11 -100.72(15) . . . . ?
B3 B8 B7 B12 -138.09(14) . . . . ?
B11 C2 B6 C1 138.15(13) . . . . ?
B11 C2 B6 B5 102.49(14) . . . . ?
B11 C2 B6 B10 39.39(13) . . . . ?
B11 C2 B3 C1 -101.04(13) . . . . ?
B11 C2 B3 B4 -65.20(16) . . . . ?
B11 C2 B3 B8 -2.47(18) . . . . ?
B11 C2 B3 B7 37.10(13) . . . . ?
B11 C2 B7 B3 -141.38(14) . . . . ?
B11 C2 B7 B8 -102.16(16) . . . . ?
B11 C2 B7 B12 -39.47(14) . . . . ?
B11 B6 B5 C1 96.82(13) . . . . ?
B11 B6 B5 C9 -157.58(14) . . . . ?
B11 B6 B5 B10 -37.40(12) . . . . ?
B11 B6 B5 B4 62.74(15) . . . . ?
B11 B6 B5 B9 0.43(17) . . . . ?
B11 B6 B10 B5 138.60(14) . . . . ?
B11 B6 B10 B9 100.50(15) . . . . ?
B11 B6 B10 B12 37.35(14) . . . . ?
B11 B10 B9 B5 102.02(13) . . . . ?
B11 B10 B9 B4 63.52(16) . . . . ?
B11 B10 B9 B8 0.44(17) . . . . ?
B11 B10 B9 B12 -37.12(13) . . . . ?
B11 B10 B12 B9 138.32(14) . . . . ?
B11 B10 B12 B8 100.45(15) . . . . ?
B11 B10 B12 B7 37.12(15) . . . . ?
B11 B12 B7 C2 38.83(13) . . . . ?
B11 B12 B7 B3 101.05(15) . . . . ?
B11 B12 B7 B8 138.27(14) . . . . ?
B4 C1 C2 C3 -146.84(15) . . . . ?
B4 C1 C2 B6 106.42(13) . . . . ?
B4 C1 C2 B3 -38.69(13) . . . . ?
B4 C1 C2 B11 67.48(16) . . . . ?
B4 C1 C2 B7 0.28(17) . . . . ?
B4 C1 B6 C2 -101.17(14) . . . . ?
B4 C1 B6 B5 37.98(12) . . . . ?
B4 C1 B6 B10 -2.31(16) . . . . ?
B4 C1 B6 B11 -65.12(16) . . . . ?
B4 C1 B5 C9 108.31(16) . . . . ?
B4 C1 B5 B6 -140.78(13) . . . . ?
B4 C1 B5 B10 -101.53(14) . . . . ?
B4 C1 B5 B9 -39.39(13) . . . . ?
B4 C1 B3 C2 138.56(13) . . . . ?
B4 C1 B3 B8 39.53(14) . . . . ?
B4 C1 B3 B7 102.38(15) . . . . ?
B4 B5 B10 B6 -99.63(13) . . . . ?
B4 B5 B10 B11 -62.27(17) . . . . ?
B4 B5 B10 B9 37.73(12) . . . . ?
B4 B5 B10 B12 1.22(17) . . . . ?
B4 B5 B9 B10 -137.17(13) . . . . ?
B4 B5 B9 B8 -36.94(15) . . . . ?
B4 B5 B9 B12 -100.48(15) . . . . ?
B4 B3 B8 B9 37.45(15) . . . . ?
B4 B3 B8 B12 100.65(15) . . . . ?
B4 B3 B8 B7 138.05(15) . . . . ?
B4 B3 B7 C2 97.39(14) . . . . ?
B4 B3 B7 B11 63.25(17) . . . . ?
B4 B3 B7 B8 -37.68(13) . . . . ?
B4 B3 B7 B12 -0.20(19) . . . . ?
B4 B9 B8 B3 -37.70(14) . . . . ?
B4 B9 B8 B12 -138.35(15) . . . . ?
B4 B9 B8 B7 -101.13(15) . . . . ?
B4 B9 B12 B10 -100.78(14) . . . . ?
B4 B9 B12 B11 -63.58(19) . . . . ?
B4 B9 B12 B8 37.07(13) . . . . ?
B4 B9 B12 B7 -0.2(2) . . . . ?
B4 B8 B12 B10 0.75(19) . . . . ?
B4 B8 B12 B11 63.98(18) . . . . ?
B4 B8 B12 B9 -37.09(13) . . . . ?
B4 B8 B12 B7 101.19(15) . . . . ?
B4 B8 B7 C2 -1.4(2) . . . . ?
B4 B8 B7 B3 37.71(14) . . . . ?
B4 B8 B7 B11 -63.00(19) . . . . ?
B4 B8 B7 B12 -100.38(16) . . . . ?
B9 B5 B10 B6 -137.36(13) . . . . ?
B9 B5 B10 B11 -100.00(15) . . . . ?
B9 B5 B10 B12 -36.51(13) . . . . ?
B9 B5 B4 C1 134.29(14) . . . . ?
B9 B5 B4 B3 100.36(15) . . . . ?
B9 B5 B4 B8 37.29(13) . . . . ?
B9 B10 B11 C2 -62.00(16) . . . . ?
B9 B10 B11 B6 -101.07(14) . . . . ?
B9 B10 B11 B12 37.07(13) . . . . ?
B9 B10 B11 B7 -0.31(17) . . . . ?
B9 B10 B12 B11 -138.32(14) . . . . ?
B9 B10 B12 B8 -37.86(14) . . . . ?
B9 B10 B12 B7 -101.20(17) . . . . ?
B9 B4 B8 B3 138.00(15) . . . . ?
B9 B4 B8 B12 37.09(14) . . . . ?
B9 B4 B8 B7 100.43(17) . . . . ?
B9 B8 B12 B10 37.84(13) . . . . ?
B9 B8 B12 B11 101.07(15) . . . . ?
B9 B8 B12 B7 138.28(14) . . . . ?
B9 B8 B7 C2 61.79(18) . . . . ?
B9 B8 B7 B3 100.93(15) . . . . ?
B9 B8 B7 B11 0.21(19) . . . . ?
B9 B8 B7 B12 -37.16(14) . . . . ?
B9 B12 B7 C2 -61.96(19) . . . . ?
B9 B12 B7 B3 0.3(2) . . . . ?
B9 B12 B7 B11 -100.79(15) . . . . ?
B9 B12 B7 B8 37.48(14) . . . . ?
B8 B3 B4 C1 -134.94(15) . . . . ?
B8 B3 B4 B5 -101.20(16) . . . . ?
B8 B3 B4 B9 -37.71(14) . . . . ?
B8 B3 B7 C2 135.07(14) . . . . ?
B8 B3 B7 B11 100.93(16) . . . . ?
B8 B3 B7 B12 37.49(14) . . . . ?
B8 B4 B9 B5 -138.73(15) . . . . ?
B8 B4 B9 B10 -100.55(15) . . . . ?
B8 B4 B9 B12 -37.15(14) . . . . ?
B8 B9 B12 B10 -137.86(14) . . . . ?
B8 B9 B12 B11 -100.65(16) . . . . ?
B8 B9 B12 B7 -37.30(14) . . . . ?
B8 B12 B7 C2 -99.45(16) . . . . ?
B8 B12 B7 B3 -37.22(13) . . . . ?
B8 B12 B7 B11 -138.27(14) . . . . ?
B12 B10 B11 C2 -99.07(16) . . . . ?
B12 B10 B11 B6 -138.14(15) . . . . ?
B12 B10 B11 B7 -37.38(14) . . . . ?
B12 B10 B9 B5 139.14(14) . . . . ?
B12 B10 B9 B4 100.64(15) . . . . ?
B12 B10 B9 B8 37.56(13) . . . . ?
B12 B11 B7 C2 -134.94(15) . . . . ?
B12 B11 B7 B3 -100.51(16) . . . . ?
B12 B11 B7 B8 -37.45(14) . . . . ?
B12 B9 B8 B3 100.65(17) . . . . ?
B12 B9 B8 B4 138.35(14) . . . . ?
B12 B9 B8 B7 37.22(14) . . . . ?
B12 B8 B7 C2 98.95(15) . . . . ?
B12 B8 B7 B3 138.09(14) . . . . ?
B12 B8 B7 B11 37.38(13) . . . . ?
B7 C2 B6 C1 101.08(15) . . . . ?
B7 C2 B6 B5 65.41(17) . . . . ?
B7 C2 B6 B10 2.31(18) . . . . ?
B7 C2 B6 B11 -37.07(15) . . . . ?
B7 C2 B3 C1 -138.14(13) . . . . ?
B7 C2 B3 B4 -102.30(15) . . . . ?
B7 C2 B3 B8 -39.57(13) . . . . ?
B7 C2 B11 B6 141.43(14) . . . . ?
B7 C2 B11 B10 102.43(16) . . . . ?
B7 C2 B11 B12 39.52(13) . . . . ?
B7 B3 B4 C1 -97.18(14) . . . . ?
B7 B3 B4 B5 -63.44(16) . . . . ?
B7 B3 B4 B9 0.05(18) . . . . ?
B7 B3 B4 B8 37.77(14) . . . . ?
B7 B3 B8 B4 -138.05(15) . . . . ?
B7 B3 B8 B9 -100.59(17) . . . . ?
B7 B3 B8 B12 -37.40(14) . . . . ?
B7 B11 B12 B10 138.38(15) . . . . ?
B7 B11 B12 B9 100.97(17) . . . . ?
B7 B11 B12 B8 37.22(14) . . . . ?
B7 B8 B12 B10 -100.44(15) . . . . ?
B7 B8 B12 B11 -37.21(13) . . . . ?
B7 B8 B12 B9 -138.28(14) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
