#------------------------------------------------------------------------------
#$Date: 2024-04-05 01:47:45 +0300 (Fri, 05 Apr 2024) $
#$Revision: 290843 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/10/1571058.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1571058
loop_
_publ_author_name
'Wang, Junyi'
'Xiang, Libo'
'Liu, Xiaocui'
'Matler, Alexander'
'Lin, Zhenyang'
'Ye, Qing'
_publ_section_title
;
 Avenue to novel o-carboranyl boron compounds - reactivity study of
 o-carborane-fused aminoborirane towards organic azides.
;
_journal_issue                   13
_journal_name_full               'Chemical science'
_journal_page_first              4839
_journal_page_last               4845
_journal_paper_doi               10.1039/d4sc00489b
_journal_volume                  15
_journal_year                    2024
_chemical_formula_moiety         'C20 H45 B11 N4 Si2'
_chemical_formula_sum            'C20 H45 B11 N4 Si2'
_chemical_formula_weight         516.69
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2022-01-15
_audit_creation_method
;
Olex2 1.2
(compiled 2018.04.26 svn.r3504 for OlexSys, GUI svn.r5492)
;
_audit_update_record
;
2023-07-03 deposited with the CCDC.	2024-02-12 downloaded from the CCDC.
;
_cell_angle_alpha                105.518(3)
_cell_angle_beta                 90.022(3)
_cell_angle_gamma                94.870(3)
_cell_formula_units_Z            4
_cell_length_a                   12.0996(9)
_cell_length_b                   15.2353(12)
_cell_length_c                   17.5608(12)
_cell_measurement_reflns_used    8318
_cell_measurement_temperature    100.01
_cell_measurement_theta_max      27.546
_cell_measurement_theta_min      2.242
_cell_volume                     3107.0(4)
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_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    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100.01
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_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_reflns_av_R_equivalents  0.1022
_diffrn_reflns_av_unetI/netI     0.0905
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            10761
_diffrn_reflns_point_group_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.242
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.132
_exptl_absorpt_correction_T_max  0.991
_exptl_absorpt_correction_T_min  0.984
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.

Final HKLF 4 output contains 56875 reflections, Rint = 0.1022
 (21821 with I > 3sig(I), Rint = 0.0687)
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.105
_exptl_crystal_description       plate
_exptl_crystal_F_000             1104
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.858
_refine_diff_density_min         -0.481
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     687
_refine_ls_number_reflns         10761
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.1314
_refine_ls_R_factor_gt           0.0947
_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)+(0.0596P)²+12.3062P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2072
_refine_ls_wR_factor_ref         0.2209
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8272
_reflns_number_total             10761
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4sc00489b2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 1571058--1571061.cif.'
_cod_database_code               1571058
_shelx_shelxl_version_number     2016/6
_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.
;
_shelx_estimated_absorpt_t_max   0.991
_shelx_estimated_absorpt_t_min   0.984
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C15(H15), C18(H18), C35(H35), C38(H38)
2.b Aromatic/amide H refined with riding coordinates:
 C11(H11), C12(H12), C13(H13), C31(H31), C32(H32), C33(H33)
2.c Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C7(H7A,
 H7B,H7C), C8(H8A,H8B,H8C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C19(H19A,
 H19B,H19C), C20(H20A,H20B,H20C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C),
 C25(H25A,H25B,H25C), C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C28(H28A,H28B,
 H28C), C36(H36A,H36B,H36C), C37(H37A,H37B,H37C), C39(H39A,H39B,H39C), C40(H40A,
 H40B,H40C)
2.d Boron cage BH refined with riding coordinates:
 B2(H2), B3(H3), B4(H4), B5(H5), B6(H6), B7(H7), B8(H8), B9(H9), B10(H10),
 B11(H11A), B13(H13A), B14(H14), B15(H15A), B16(H16), B17(H17), B18(H18A),
 B19(H19), B20(H20), B21(H21), B22(H22)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
Si1 Si 0.26940(10) 0.68572(9) -0.12098(7) 0.0214(3) Uani 1 1 d . . . . .
Si2 Si 0.57455(9) 0.85340(9) 0.06435(7) 0.0187(3) Uani 1 1 d . . . . .
N1 N 0.4755(3) 0.7707(2) 0.0903(2) 0.0161(7) Uani 1 1 d . . . . .
N2 N 0.5298(3) 0.7143(2) 0.1272(2) 0.0174(8) Uani 1 1 d . . . . .
N3 N 0.4604(3) 0.6608(2) 0.1512(2) 0.0176(8) Uani 1 1 d . . . . .
N4 N 0.3532(3) 0.6762(2) 0.13270(19) 0.0134(7) Uani 1 1 d . . . . .
C1 C 0.2549(3) 0.7886(3) 0.0656(2) 0.0141(8) Uani 1 1 d . . . . .
C2 C 0.2064(3) 0.7669(3) -0.0299(2) 0.0165(9) Uani 1 1 d . . . . .
C3 C 0.3110(4) 0.7538(4) -0.1916(3) 0.0342(12) Uani 1 1 d . . . . .
H3A H 0.245941 0.779883 -0.206935 0.051 Uiso 1 1 calc GR . . . .
H3B H 0.341898 0.714144 -0.238677 0.051 Uiso 1 1 calc GR . . . .
H3C H 0.367118 0.803332 -0.166269 0.051 Uiso 1 1 calc GR . . . .
C4 C 0.3907(4) 0.6313(3) -0.0955(3) 0.0257(10) Uani 1 1 d . . . . .
H4A H 0.436616 0.675799 -0.054526 0.038 Uiso 1 1 calc GR . . . .
H4B H 0.434777 0.610396 -0.142689 0.038 Uiso 1 1 calc GR . . . .
H4C H 0.364833 0.578881 -0.075777 0.038 Uiso 1 1 calc GR . . . .
C5 C 0.1600(4) 0.5948(4) -0.1686(3) 0.0336(12) Uani 1 1 d . . . . .
H5A H 0.128835 0.565280 -0.129190 0.050 Uiso 1 1 calc GR . . . .
H5B H 0.192261 0.549204 -0.211077 0.050 Uiso 1 1 calc GR . . . .
H5C H 0.101205 0.621806 -0.190582 0.050 Uiso 1 1 calc GR . . . .
C6 C 0.5755(4) 0.8363(4) -0.0447(3) 0.0327(12) Uani 1 1 d . . . . .
H6A H 0.597353 0.775109 -0.070448 0.049 Uiso 1 1 calc GR . . . .
H6B H 0.628466 0.882399 -0.057382 0.049 Uiso 1 1 calc GR . . . .
H6C H 0.501121 0.842471 -0.063718 0.049 Uiso 1 1 calc GR . . . .
C7 C 0.5422(4) 0.9702(3) 0.1183(3) 0.0327(12) Uani 1 1 d . . . . .
H7A H 0.470010 0.982186 0.099771 0.049 Uiso 1 1 calc GR . . . .
H7B H 0.599693 1.014992 0.108479 0.049 Uiso 1 1 calc GR . . . .
H7C H 0.539852 0.975301 0.175049 0.049 Uiso 1 1 calc GR . . . .
C8 C 0.7156(4) 0.8326(4) 0.0936(3) 0.0339(12) Uani 1 1 d . . . . .
H8A H 0.722701 0.848905 0.151437 0.051 Uiso 1 1 calc GR . . . .
H8B H 0.771317 0.870033 0.072836 0.051 Uiso 1 1 calc GR . . . .
H8C H 0.727113 0.767779 0.072109 0.051 Uiso 1 1 calc GR . . . .
C9 C 0.2676(3) 0.6287(3) 0.1680(2) 0.0158(9) Uani 1 1 d . . . . .
C10 C 0.2415(3) 0.6686(3) 0.2468(2) 0.0162(9) Uani 1 1 d . . . . .
C11 C 0.1553(4) 0.6235(3) 0.2794(3) 0.0211(10) Uani 1 1 d . . . . .
H11 H 0.135892 0.648238 0.332771 0.025 Uiso 1 1 calc R . . . .
C12 C 0.0985(4) 0.5437(3) 0.2351(3) 0.0225(10) Uani 1 1 d . . . . .
H12 H 0.038610 0.515440 0.257460 0.027 Uiso 1 1 calc R . . . .
C13 C 0.1286(4) 0.5047(3) 0.1584(3) 0.0209(9) Uani 1 1 d . . . . .
H13 H 0.089601 0.449198 0.129073 0.025 Uiso 1 1 calc R . . . .
C14 C 0.2147(3) 0.5450(3) 0.1230(2) 0.0152(9) Uani 1 1 d . . . . .
C15 C 0.2533(3) 0.4988(3) 0.0412(3) 0.0201(9) Uani 1 1 d . . . . .
H15 H 0.281058 0.548029 0.016182 0.024 Uiso 1 1 calc R . . . .
C16 C 0.3517(4) 0.4434(4) 0.0483(3) 0.0330(12) Uani 1 1 d . . . . .
H16A H 0.327165 0.394677 0.072868 0.050 Uiso 1 1 calc GR . . . .
H16B H 0.411020 0.483948 0.081027 0.050 Uiso 1 1 calc GR . . . .
H16C H 0.379613 0.416458 -0.004425 0.050 Uiso 1 1 calc GR . . . .
C17 C 0.1637(4) 0.4386(3) -0.0131(3) 0.0312(11) Uani 1 1 d . . . . .
H17A H 0.192120 0.418384 -0.066598 0.047 Uiso 1 1 calc GR . . . .
H17B H 0.099321 0.473294 -0.013980 0.047 Uiso 1 1 calc GR . . . .
H17C H 0.141583 0.385197 0.006265 0.047 Uiso 1 1 calc GR . . . .
C18 C 0.3018(4) 0.7565(3) 0.2972(2) 0.0221(10) Uani 1 1 d . . . . .
H18 H 0.339712 0.789460 0.260895 0.027 Uiso 1 1 calc R . . . .
C19 C 0.3912(4) 0.7330(4) 0.3487(3) 0.0380(13) Uani 1 1 d . . . . .
H19A H 0.355761 0.703691 0.386811 0.057 Uiso 1 1 calc GR . . . .
H19B H 0.435425 0.789187 0.377077 0.057 Uiso 1 1 calc GR . . . .
H19C H 0.439656 0.691202 0.315029 0.057 Uiso 1 1 calc GR . . . .
C20 C 0.2246(4) 0.8204(3) 0.3488(3) 0.0326(12) Uani 1 1 d . . . . .
H20A H 0.166834 0.833829 0.315451 0.049 Uiso 1 1 calc GR . . . .
H20B H 0.267277 0.877506 0.376880 0.049 Uiso 1 1 calc GR . . . .
H20C H 0.190022 0.791024 0.387181 0.049 Uiso 1 1 calc GR . . . .
B1 B 0.3589(4) 0.7460(3) 0.0930(3) 0.0139(9) Uani 1 1 d . . . . .
B2 B 0.2744(4) 0.8715(4) 0.0152(3) 0.0214(11) Uani 1 1 d . . . . .
H2 H 0.357945 0.894824 -0.003328 0.026 Uiso 1 1 calc R . . . .
B3 B 0.1327(4) 0.7210(3) 0.0362(3) 0.0166(10) Uani 1 1 d . . . . .
H3 H 0.123405 0.645926 0.031434 0.020 Uiso 1 1 calc R . . . .
B4 B 0.0643(4) 0.7696(3) -0.0304(3) 0.0189(10) Uani 1 1 d . . . . .
H4 H 0.007730 0.726521 -0.079087 0.023 Uiso 1 1 calc R . . . .
B5 B 0.1527(4) 0.8630(4) -0.0440(3) 0.0253(12) Uani 1 1 d . . . . .
H5 H 0.154537 0.881703 -0.101451 0.030 Uiso 1 1 calc R . . . .
B6 B 0.2349(4) 0.8986(3) 0.1153(3) 0.0206(11) Uani 1 1 d . . . . .
H6 H 0.291987 0.941447 0.163786 0.025 Uiso 1 1 calc R . . . .
B7 B 0.1461(4) 0.8051(4) 0.1285(3) 0.0191(10) Uani 1 1 d . . . . .
H7 H 0.143930 0.785781 0.185694 0.023 Uiso 1 1 calc R . . . .
B8 B 0.0246(4) 0.7940(3) 0.0692(3) 0.0197(10) Uani 1 1 d . . . . .
H8 H -0.057852 0.767168 0.086673 0.024 Uiso 1 1 calc R . . . .
B9 B 0.1702(4) 0.9468(4) 0.0478(3) 0.0252(12) Uani 1 1 d . . . . .
H9 H 0.184299 1.021424 0.051376 0.030 Uiso 1 1 calc R . . . .
B10 B 0.0885(4) 0.9054(4) 0.1184(3) 0.0245(11) Uani 1 1 d . . . . .
H10 H 0.047876 0.952664 0.168488 0.029 Uiso 1 1 calc R . . . .
B11 B 0.0387(4) 0.8832(4) 0.0201(3) 0.0247(12) Uani 1 1 d . . . . .
H11A H -0.034976 0.916076 0.005611 0.030 Uiso 1 1 calc R . . . .
Si3 Si 0.76854(10) 0.69497(10) 0.71419(7) 0.0240(3) Uani 1 1 d . . . . .
Si4 Si 1.05107(10) 0.88872(10) 0.61167(7) 0.0263(3) Uani 1 1 d . . . . .
N5 N 0.9610(3) 0.7967(3) 0.5475(2) 0.0217(8) Uani 1 1 d . . . . .
N6 N 1.0229(3) 0.7431(3) 0.4875(2) 0.0238(9) Uani 1 1 d . . . . .
N7 N 0.9593(3) 0.6837(3) 0.4380(2) 0.0241(9) Uani 1 1 d . . . . .
N8 N 0.8500(3) 0.6920(3) 0.4601(2) 0.0191(8) Uani 1 1 d . . . . .
C21 C 0.7380(3) 0.7968(3) 0.5764(2) 0.0182(9) Uani 1 1 d . . . . .
C22 C 0.6933(3) 0.7698(3) 0.6610(2) 0.0193(9) Uani 1 1 d . . . . .
C23 C 0.8121(4) 0.7664(4) 0.8138(3) 0.0404(14) Uani 1 1 d . . . . .
H23A H 0.855194 0.822196 0.809425 0.061 Uiso 1 1 calc GR . . . .
H23B H 0.857939 0.732187 0.839667 0.061 Uiso 1 1 calc GR . . . .
H23C H 0.746355 0.782712 0.845269 0.061 Uiso 1 1 calc GR . . . .
C24 C 0.6669(4) 0.5990(4) 0.7221(4) 0.0449(15) Uani 1 1 d . . . . .
H24A H 0.609995 0.622692 0.759911 0.067 Uiso 1 1 calc GR . . . .
H24B H 0.705473 0.554006 0.740272 0.067 Uiso 1 1 calc GR . . . .
H24C H 0.631766 0.569686 0.670159 0.067 Uiso 1 1 calc GR . . . .
C25 C 0.8925(4) 0.6474(4) 0.6617(3) 0.0310(11) Uani 1 1 d . . . . .
H25A H 0.868841 0.601303 0.612572 0.047 Uiso 1 1 calc GR . . . .
H25B H 0.933690 0.619095 0.695487 0.047 Uiso 1 1 calc GR . . . .
H25C H 0.940282 0.696726 0.649283 0.047 Uiso 1 1 calc GR . . . .
C26 C 1.0676(4) 0.8677(4) 0.7105(3) 0.0391(13) Uani 1 1 d . . . . .
H26A H 0.995609 0.868708 0.736024 0.059 Uiso 1 1 calc GR . . . .
H26B H 1.120041 0.915541 0.743208 0.059 Uiso 1 1 calc GR . . . .
H26C H 1.096010 0.807900 0.704186 0.059 Uiso 1 1 calc GR . . . .
C27 C 1.1885(4) 0.8880(4) 0.5659(3) 0.0429(14) Uani 1 1 d . . . . .
H27A H 1.219041 0.829607 0.562670 0.064 Uiso 1 1 calc GR . . . .
H27B H 1.238595 0.938165 0.598055 0.064 Uiso 1 1 calc GR . . . .
H27C H 1.180843 0.895894 0.512592 0.064 Uiso 1 1 calc GR . . . .
C28 C 0.9945(5) 1.0008(4) 0.6175(3) 0.0391(13) Uani 1 1 d . . . . .
H28A H 0.971235 1.002697 0.564563 0.059 Uiso 1 1 calc GR . . . .
H28B H 1.051984 1.050739 0.638908 0.059 Uiso 1 1 calc GR . . . .
H28C H 0.930520 1.007815 0.652218 0.059 Uiso 1 1 calc GR . . . .
C29 C 0.7693(3) 0.6407(3) 0.4003(2) 0.0186(9) Uani 1 1 d . . . . .
C30 C 0.7226(4) 0.5546(3) 0.4042(3) 0.0236(10) Uani 1 1 d . . . . .
C31 C 0.6396(4) 0.5105(4) 0.3482(3) 0.0319(12) Uani 1 1 d . . . . .
H31 H 0.604331 0.453159 0.350392 0.038 Uiso 1 1 calc R . . . .
C32 C 0.6084(4) 0.5493(3) 0.2896(3) 0.0311(12) Uani 1 1 d . . . . .
H32 H 0.550236 0.519308 0.253126 0.037 Uiso 1 1 calc R . . . .
C33 C 0.6610(4) 0.6311(3) 0.2837(3) 0.0266(11) Uani 1 1 d . . . . .
H33 H 0.641474 0.654789 0.241138 0.032 Uiso 1 1 calc R . . . .
C34 C 0.7422(4) 0.6796(3) 0.3389(3) 0.0224(10) Uani 1 1 d . . . . .
C35 C 0.8003(4) 0.7686(3) 0.3297(3) 0.0250(10) Uani 1 1 d . . . . .
H35 H 0.842936 0.799576 0.379796 0.030 Uiso 1 1 calc R . . . .
C36 C 0.8832(4) 0.7464(4) 0.2625(3) 0.0376(13) Uani 1 1 d . . . . .
H36A H 0.934855 0.704877 0.273574 0.056 Uiso 1 1 calc GR . . . .
H36B H 0.924755 0.802978 0.258521 0.056 Uiso 1 1 calc GR . . . .
H36C H 0.842940 0.717015 0.212510 0.056 Uiso 1 1 calc GR . . . .
C37 C 0.7184(4) 0.8346(4) 0.3143(3) 0.0348(12) Uani 1 1 d . . . . .
H37A H 0.673800 0.804716 0.266378 0.052 Uiso 1 1 calc GR . . . .
H37B H 0.759862 0.889978 0.307505 0.052 Uiso 1 1 calc GR . . . .
H37C H 0.669375 0.851087 0.359433 0.052 Uiso 1 1 calc GR . . . .
C38 C 0.7618(4) 0.5061(3) 0.4628(3) 0.0292(11) Uani 1 1 d . . . . .
H38 H 0.789999 0.555109 0.510619 0.035 Uiso 1 1 calc R . . . .
C39 C 0.8625(5) 0.4538(4) 0.4289(4) 0.0479(15) Uani 1 1 d . . . . .
H39A H 0.838239 0.402994 0.383124 0.072 Uiso 1 1 calc GR . . . .
H39B H 0.894926 0.429818 0.469559 0.072 Uiso 1 1 calc GR . . . .
H39C H 0.918074 0.495371 0.412658 0.072 Uiso 1 1 calc GR . . . .
C40 C 0.6770(5) 0.4464(4) 0.4907(4) 0.0515(16) Uani 1 1 d . . . . .
H40A H 0.653064 0.393106 0.446911 0.077 Uiso 1 1 calc GR . . . .
H40B H 0.612998 0.480700 0.509945 0.077 Uiso 1 1 calc GR . . . .
H40C H 0.708810 0.426020 0.533679 0.077 Uiso 1 1 calc GR . . . .
B12 B 0.8466(4) 0.7631(4) 0.5318(3) 0.0199(11) Uani 1 1 d . . . . .
B13 B 0.7483(4) 0.8799(4) 0.6661(3) 0.0218(11) Uani 1 1 d . . . . .
H13A H 0.829592 0.909837 0.696590 0.026 Uiso 1 1 calc R . . . .
B14 B 0.6239(4) 0.7199(4) 0.5722(3) 0.0211(11) Uani 1 1 d . . . . .
H14 H 0.623674 0.645324 0.541384 0.025 Uiso 1 1 calc R . . . .
B15 B 0.6253(4) 0.8056(4) 0.5198(3) 0.0207(11) Uani 1 1 d . . . . .
H15A H 0.624241 0.787844 0.453641 0.025 Uiso 1 1 calc R . . . .
B16 B 0.7032(4) 0.9054(4) 0.5778(3) 0.0234(11) Uani 1 1 d . . . . .
H16 H 0.753624 0.952928 0.549824 0.028 Uiso 1 1 calc R . . . .
B17 B 0.6291(4) 0.8596(4) 0.7191(3) 0.0240(11) Uani 1 1 d . . . . .
H17 H 0.630778 0.877283 0.785308 0.029 Uiso 1 1 calc R . . . .
B18 B 0.5507(4) 0.7606(4) 0.6609(3) 0.0203(11) Uani 1 1 d . . . . .
H18A H 0.499856 0.712849 0.688425 0.024 Uiso 1 1 calc R . . . .
B19 B 0.5069(4) 0.7838(4) 0.5727(3) 0.0207(11) Uani 1 1 d . . . . .
H19 H 0.427313 0.751073 0.541103 0.025 Uiso 1 1 calc R . . . .
B20 B 0.6328(4) 0.9458(4) 0.6676(3) 0.0243(11) Uani 1 1 d . . . . .
H20 H 0.637170 1.020435 0.699194 0.029 Uiso 1 1 calc R . . . .
B21 B 0.5558(4) 0.8983(4) 0.5789(3) 0.0231(11) Uani 1 1 d . . . . .
H21 H 0.507434 0.942431 0.551941 0.028 Uiso 1 1 calc R . . . .
B22 B 0.5099(5) 0.8707(4) 0.6637(3) 0.0246(12) Uani 1 1 d . . . . .
H22 H 0.431982 0.895736 0.692840 0.030 Uiso 1 1 calc R . . . .
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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C3 Si1 C2 107.8(2) . . ?
C4 Si1 C2 113.36(19) . . ?
C4 Si1 C3 109.8(2) . . ?
C5 Si1 C2 108.2(2) . . ?
C5 Si1 C3 108.9(2) . . ?
C5 Si1 C4 108.8(2) . . ?
N1 Si2 C6 110.8(2) . . ?
N1 Si2 C7 109.1(2) . . ?
N1 Si2 C8 108.1(2) . . ?
C7 Si2 C6 112.4(3) . . ?
C7 Si2 C8 110.0(2) . . ?
C8 Si2 C6 106.3(2) . . ?
N2 N1 Si2 110.6(2) . . ?
N2 N1 B1 106.7(3) . . ?
B1 N1 Si2 142.4(3) . . ?
N3 N2 N1 111.1(3) . . ?
N2 N3 N4 109.5(3) . . ?
N3 N4 C9 113.7(3) . . ?
N3 N4 B1 109.0(3) . . ?
B1 N4 C9 136.5(3) . . ?
C2 C1 B2 59.9(3) . . ?
C2 C1 B3 60.1(2) . . ?
B1 C1 C2 125.2(3) . . ?
B1 C1 B2 120.2(3) . . ?
B1 C1 B3 119.9(3) . . ?
B1 C1 B6 116.8(3) . . ?
B1 C1 B7 116.8(3) . . ?
B3 C1 B2 111.4(3) . . ?
B6 C1 C2 109.4(3) . . ?
B6 C1 B2 62.0(3) . . ?
B6 C1 B3 113.2(3) . . ?
B6 C1 B7 62.6(3) . . ?
B7 C1 C2 109.5(3) . . ?
B7 C1 B2 112.9(3) . . ?
B7 C1 B3 62.2(3) . . ?
C1 C2 Si1 125.0(3) . . ?
C1 C2 B2 60.4(3) . . ?
C1 C2 B3 60.3(2) . . ?
C1 C2 B4 109.4(3) . . ?
C1 C2 B5 109.7(3) . . ?
B2 C2 Si1 120.4(3) . . ?
B2 C2 B3 112.0(3) . . ?
B2 C2 B4 112.5(3) . . ?
B2 C2 B5 62.2(3) . . ?
B3 C2 Si1 119.3(3) . . ?
B3 C2 B4 62.2(3) . . ?
B3 C2 B5 112.9(3) . . ?
B4 C2 Si1 116.9(3) . . ?
B4 C2 B5 61.9(3) . . ?
B5 C2 Si1 117.1(3) . . ?
Si1 C3 H3A 109.5 . . ?
Si1 C3 H3B 109.5 . . ?
Si1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si1 C4 H4A 109.5 . . ?
Si1 C4 H4B 109.5 . . ?
Si1 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si1 C5 H5A 109.5 . . ?
Si1 C5 H5B 109.5 . . ?
Si1 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si2 C6 H6A 109.5 . . ?
Si2 C6 H6B 109.5 . . ?
Si2 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si2 C7 H7A 109.5 . . ?
Si2 C7 H7B 109.5 . . ?
Si2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si2 C8 H8A 109.5 . . ?
Si2 C8 H8B 109.5 . . ?
Si2 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 N4 117.7(4) . . ?
C10 C9 C14 122.7(4) . . ?
C14 C9 N4 119.5(4) . . ?
C9 C10 C11 117.2(4) . . ?
C9 C10 C18 123.2(4) . . ?
C11 C10 C18 119.6(4) . . ?
C10 C11 H11 119.5 . . ?
C12 C11 C10 121.1(4) . . ?
C12 C11 H11 119.5 . . ?
C11 C12 H12 119.9 . . ?
C11 C12 C13 120.2(4) . . ?
C13 C12 H12 119.9 . . ?
C12 C13 H13 119.2 . . ?
C12 C13 C14 121.6(4) . . ?
C14 C13 H13 119.2 . . ?
C9 C14 C15 121.3(4) . . ?
C13 C14 C9 117.1(4) . . ?
C13 C14 C15 121.6(4) . . ?
C14 C15 H15 107.5 . . ?
C14 C15 C16 109.4(4) . . ?
C16 C15 H15 107.5 . . ?
C17 C15 C14 114.4(4) . . ?
C17 C15 H15 107.5 . . ?
C17 C15 C16 110.2(4) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C10 C18 H18 108.0 . . ?
C10 C18 C19 109.3(4) . . ?
C10 C18 C20 113.2(4) . . ?
C19 C18 H18 108.0 . . ?
C20 C18 H18 108.0 . . ?
C20 C18 C19 110.2(4) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N1 B1 C1 130.7(4) . . ?
N4 B1 N1 103.8(3) . . ?
N4 B1 C1 125.4(4) . . ?
C1 B2 H2 123.0 . . ?
C1 B2 B5 106.8(3) . . ?
C1 B2 B6 58.4(3) . . ?
C1 B2 B9 105.9(3) . . ?
C2 B2 C1 59.7(2) . . ?
C2 B2 H2 122.8 . . ?
C2 B2 B5 59.2(3) . . ?
C2 B2 B6 106.3(3) . . ?
C2 B2 B9 106.2(3) . . ?
B5 B2 H2 121.9 . . ?
B6 B2 H2 122.4 . . ?
B6 B2 B5 107.6(4) . . ?
B9 B2 H2 122.7 . . ?
B9 B2 B5 59.8(3) . . ?
B9 B2 B6 59.9(3) . . ?
C1 B3 H3 123.1 . . ?
C1 B3 B4 106.3(3) . . ?
C1 B3 B7 58.5(3) . . ?
C1 B3 B8 105.6(3) . . ?
C2 B3 C1 59.6(2) . . ?
C2 B3 H3 122.9 . . ?
C2 B3 B4 58.9(2) . . ?
C2 B3 B7 106.2(3) . . ?
C2 B3 B8 105.7(3) . . ?
B4 B3 H3 122.5 . . ?
B4 B3 B8 59.3(3) . . ?
B7 B3 H3 122.5 . . ?
B7 B3 B4 107.0(3) . . ?
B7 B3 B8 59.7(3) . . ?
B8 B3 H3 123.0 . . ?
C2 B4 B3 58.9(2) . . ?
C2 B4 H4 123.7 . . ?
C2 B4 B5 59.2(3) . . ?
C2 B4 B8 106.6(3) . . ?
C2 B4 B11 106.1(3) . . ?
B3 B4 H4 121.5 . . ?
B5 B4 B3 108.0(3) . . ?
B5 B4 H4 121.4 . . ?
B5 B4 B11 60.0(3) . . ?
B8 B4 B3 60.5(3) . . ?
B8 B4 H4 121.2 . . ?
B8 B4 B5 109.0(4) . . ?
B8 B4 B11 60.8(3) . . ?
B11 B4 B3 108.6(4) . . ?
B11 B4 H4 121.8 . . ?
C2 B5 B2 58.6(3) . . ?
C2 B5 B4 59.0(3) . . ?
C2 B5 H5 123.9 . . ?
C2 B5 B9 105.8(3) . . ?
C2 B5 B11 105.9(3) . . ?
B2 B5 H5 122.1 . . ?
B4 B5 B2 107.2(3) . . ?
B4 B5 H5 121.7 . . ?
B4 B5 B11 60.0(3) . . ?
B9 B5 B2 59.9(3) . . ?
B9 B5 B4 108.3(4) . . ?
B9 B5 H5 121.8 . . ?
B9 B5 B11 60.5(3) . . ?
B11 B5 B2 107.9(4) . . ?
B11 B5 H5 121.9 . . ?
C1 B6 B2 59.5(3) . . ?
C1 B6 H6 123.4 . . ?
C1 B6 B7 58.8(3) . . ?
C1 B6 B9 106.8(4) . . ?
C1 B6 B10 106.3(3) . . ?
B2 B6 H6 121.6 . . ?
B2 B6 B7 107.7(4) . . ?
B2 B6 B10 108.4(4) . . ?
B7 B6 H6 121.7 . . ?
B7 B6 B10 60.1(3) . . ?
B9 B6 B2 60.1(3) . . ?
B9 B6 H6 121.4 . . ?
B9 B6 B7 108.7(4) . . ?
B9 B6 B10 60.8(3) . . ?
B10 B6 H6 121.7 . . ?
C1 B7 B3 59.3(2) . . ?
C1 B7 B6 58.6(3) . . ?
C1 B7 H7 123.6 . . ?
C1 B7 B8 106.8(3) . . ?
C1 B7 B10 106.2(3) . . ?
B3 B7 B6 107.5(3) . . ?
B3 B7 H7 121.5 . . ?
B3 B7 B10 108.7(3) . . ?
B6 B7 H7 121.9 . . ?
B6 B7 B10 60.2(3) . . ?
B8 B7 B3 60.5(3) . . ?
B8 B7 B6 108.5(4) . . ?
B8 B7 H7 121.3 . . ?
B8 B7 B10 60.6(3) . . ?
B10 B7 H7 121.6 . . ?
B3 B8 H8 121.7 . . ?
B3 B8 B10 107.7(3) . . ?
B3 B8 B11 107.7(3) . . ?
B4 B8 B3 60.2(3) . . ?
B4 B8 B7 107.8(3) . . ?
B4 B8 H8 121.8 . . ?
B4 B8 B10 107.2(4) . . ?
B4 B8 B11 59.9(3) . . ?
B7 B8 B3 59.8(3) . . ?
B7 B8 H8 122.0 . . ?
B7 B8 B10 60.0(3) . . ?
B7 B8 B11 107.0(4) . . ?
B10 B8 H8 122.3 . . ?
B11 B8 H8 122.4 . . ?
B11 B8 B10 58.9(3) . . ?
B2 B9 H9 121.5 . . ?
B2 B9 B10 108.0(3) . . ?
B2 B9 B11 107.8(4) . . ?
B5 B9 B2 60.3(3) . . ?
B5 B9 H9 121.6 . . ?
B5 B9 B10 107.4(4) . . ?
B5 B9 B11 59.9(3) . . ?
B6 B9 B2 60.1(3) . . ?
B6 B9 B5 108.2(4) . . ?
B6 B9 H9 121.7 . . ?
B6 B9 B10 60.1(3) . . ?
B6 B9 B11 107.2(4) . . ?
B10 B9 H9 122.2 . . ?
B11 B9 H9 122.4 . . ?
B11 B9 B10 59.0(3) . . ?
B6 B10 B8 107.2(4) . . ?
B6 B10 B9 59.1(3) . . ?
B6 B10 H10 122.4 . . ?
B7 B10 B6 59.7(3) . . ?
B7 B10 B8 59.3(3) . . ?
B7 B10 B9 107.1(4) . . ?
B7 B10 H10 122.3 . . ?
B8 B10 B9 108.0(4) . . ?
B8 B10 H10 121.8 . . ?
B9 B10 H10 122.0 . . ?
B11 B10 B6 107.5(4) . . ?
B11 B10 B7 107.7(4) . . ?
B11 B10 B8 60.4(3) . . ?
B11 B10 B9 60.3(3) . . ?
B11 B10 H10 121.5 . . ?
B4 B11 B5 60.0(3) . . ?
B4 B11 B8 59.3(3) . . ?
B4 B11 B9 107.5(4) . . ?
B4 B11 H11A 122.3 . . ?
B5 B11 B8 107.8(3) . . ?
B5 B11 B9 59.5(3) . . ?
B5 B11 H11A 121.8 . . ?
B8 B11 H11A 121.6 . . ?
B9 B11 B8 108.6(4) . . ?
B9 B11 H11A 121.6 . . ?
B10 B11 B4 108.1(4) . . ?
B10 B11 B5 108.6(4) . . ?
B10 B11 B8 60.7(3) . . ?
B10 B11 B9 60.8(3) . . ?
B10 B11 H11A 120.9 . . ?
C23 Si3 C22 108.0(2) . . ?
C23 Si3 C24 110.0(3) . . ?
C23 Si3 C25 108.9(2) . . ?
C24 Si3 C22 107.4(2) . . ?
C25 Si3 C22 113.5(2) . . ?
C25 Si3 C24 109.1(3) . . ?
N5 Si4 C26 110.3(2) . . ?
N5 Si4 C27 107.3(2) . . ?
N5 Si4 C28 109.4(2) . . ?
C26 Si4 C28 112.6(3) . . ?
C27 Si4 C26 108.3(3) . . ?
C27 Si4 C28 108.8(3) . . ?
N6 N5 Si4 110.2(3) . . ?
N6 N5 B12 107.2(3) . . ?
B12 N5 Si4 142.2(3) . . ?
N7 N6 N5 110.8(3) . . ?
N6 N7 N8 109.7(4) . . ?
N7 N8 C29 114.3(3) . . ?
N7 N8 B12 109.1(4) . . ?
B12 N8 C29 135.5(4) . . ?
C22 C21 B13 60.1(3) . . ?
C22 C21 B14 60.1(3) . . ?
C22 C21 B15 109.7(3) . . ?
C22 C21 B16 109.8(3) . . ?
B12 C21 C22 124.1(3) . . ?
B12 C21 B13 120.1(4) . . ?
B12 C21 B14 119.5(4) . . ?
B12 C21 B15 117.7(3) . . ?
B12 C21 B16 117.7(4) . . ?
B13 C21 B16 62.2(3) . . ?
B14 C21 B13 111.4(3) . . ?
B14 C21 B15 62.5(3) . . ?
B14 C21 B16 113.0(3) . . ?
B15 C21 B13 112.4(3) . . ?
B15 C21 B16 61.9(3) . . ?
C21 C22 Si3 124.8(3) . . ?
C21 C22 B13 60.3(3) . . ?
C21 C22 B14 60.0(3) . . ?
B13 C22 Si3 120.1(3) . . ?
B14 C22 Si3 119.9(3) . . ?
B14 C22 B13 111.5(3) . . ?
B17 C22 Si3 117.3(3) . . ?
B17 C22 C21 109.3(3) . . ?
B17 C22 B13 61.7(3) . . ?
B17 C22 B14 112.9(3) . . ?
B17 C22 B18 62.2(3) . . ?
B18 C22 Si3 117.5(3) . . ?
B18 C22 C21 109.3(3) . . ?
B18 C22 B13 112.2(3) . . ?
B18 C22 B14 62.3(3) . . ?
Si3 C23 H23A 109.5 . . ?
Si3 C23 H23B 109.5 . . ?
Si3 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si3 C24 H24A 109.5 . . ?
Si3 C24 H24B 109.5 . . ?
Si3 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si3 C25 H25A 109.5 . . ?
Si3 C25 H25B 109.5 . . ?
Si3 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si4 C26 H26A 109.5 . . ?
Si4 C26 H26B 109.5 . . ?
Si4 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si4 C27 H27A 109.5 . . ?
Si4 C27 H27B 109.5 . . ?
Si4 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si4 C28 H28A 109.5 . . ?
Si4 C28 H28B 109.5 . . ?
Si4 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 N8 119.7(4) . . ?
C30 C29 C34 122.4(4) . . ?
C34 C29 N8 117.9(4) . . ?
C29 C30 C38 123.1(4) . . ?
C31 C30 C29 117.5(4) . . ?
C31 C30 C38 119.3(4) . . ?
C30 C31 H31 119.6 . . ?
C32 C31 C30 120.9(5) . . ?
C32 C31 H31 119.6 . . ?
C31 C32 H32 119.7 . . ?
C33 C32 C31 120.6(5) . . ?
C33 C32 H32 119.7 . . ?
C32 C33 H33 119.4 . . ?
C32 C33 C34 121.3(5) . . ?
C34 C33 H33 119.4 . . ?
C29 C34 C35 122.9(4) . . ?
C33 C34 C29 117.1(4) . . ?
C33 C34 C35 119.9(4) . . ?
C34 C35 H35 108.1 . . ?
C34 C35 C36 108.9(4) . . ?
C34 C35 C37 112.7(4) . . ?
C36 C35 H35 108.1 . . ?
C36 C35 C37 110.8(4) . . ?
C37 C35 H35 108.1 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C30 C38 H38 106.4 . . ?
C30 C38 C39 109.1(4) . . ?
C39 C38 H38 106.4 . . ?
C40 C38 C30 116.7(5) . . ?
C40 C38 H38 106.4 . . ?
C40 C38 C39 111.3(5) . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
N5 B12 C21 131.0(4) . . ?
N8 B12 N5 103.2(4) . . ?
N8 B12 C21 125.7(4) . . ?
C21 B13 H13A 123.0 . . ?
C21 B13 B16 58.9(3) . . ?
C21 B13 B17 106.5(4) . . ?
C21 B13 B20 105.9(3) . . ?
C22 B13 C21 59.6(3) . . ?
C22 B13 H13A 122.8 . . ?
C22 B13 B16 106.7(3) . . ?
C22 B13 B17 58.8(3) . . ?
C22 B13 B20 106.2(4) . . ?
B16 B13 H13A 122.1 . . ?
B17 B13 H13A 122.0 . . ?
B17 B13 B16 107.8(4) . . ?
B17 B13 B20 60.2(3) . . ?
B20 B13 H13A 122.6 . . ?
B20 B13 B16 59.6(3) . . ?
C21 B14 C22 59.9(3) . . ?
C21 B14 H14 122.9 . . ?
C21 B14 B15 58.8(3) . . ?
C21 B14 B18 106.5(4) . . ?
C21 B14 B19 105.2(4) . . ?
C22 B14 H14 122.8 . . ?
C22 B14 B15 106.6(4) . . ?
C22 B14 B18 58.7(3) . . ?
C22 B14 B19 105.5(3) . . ?
B15 B14 H14 122.4 . . ?
B18 B14 H14 122.4 . . ?
B18 B14 B15 107.0(4) . . ?
B18 B14 B19 59.5(3) . . ?
B19 B14 H14 123.4 . . ?
B19 B14 B15 59.2(3) . . ?
C21 B15 B14 58.7(3) . . ?
C21 B15 H15A 123.8 . . ?
C21 B15 B16 59.4(3) . . ?
C21 B15 B19 106.1(3) . . ?
C21 B15 B21 105.4(3) . . ?
B14 B15 H15A 121.9 . . ?
B14 B15 B21 107.3(4) . . ?
B16 B15 B14 107.9(3) . . ?
B16 B15 H15A 121.4 . . ?
B16 B15 B21 59.8(3) . . ?
B19 B15 B14 60.3(3) . . ?
B19 B15 H15A 121.8 . . ?
B19 B15 B16 108.3(4) . . ?
B19 B15 B21 59.7(3) . . ?
B21 B15 H15A 122.7 . . ?
C21 B16 B13 58.9(3) . . ?
C21 B16 B15 58.7(3) . . ?
C21 B16 H16 123.8 . . ?
C21 B16 B20 106.1(3) . . ?
C21 B16 B21 105.3(4) . . ?
B13 B16 H16 122.4 . . ?
B15 B16 B13 107.1(4) . . ?
B15 B16 H16 121.6 . . ?
B15 B16 B20 108.3(4) . . ?
B15 B16 B21 60.4(3) . . ?
B20 B16 B13 60.0(3) . . ?
B20 B16 H16 121.9 . . ?
B21 B16 B13 106.6(4) . . ?
B21 B16 H16 122.8 . . ?
B21 B16 B20 59.4(3) . . ?
C22 B17 B13 59.5(3) . . ?
C22 B17 H17 123.3 . . ?
C22 B17 B18 59.0(3) . . ?
C22 B17 B20 107.0(4) . . ?
C22 B17 B22 106.0(4) . . ?
B13 B17 H17 121.4 . . ?
B13 B17 B18 107.9(4) . . ?
B13 B17 B20 60.4(3) . . ?
B13 B17 B22 108.1(4) . . ?
B18 B17 H17 121.8 . . ?
B18 B17 B20 108.3(4) . . ?
B18 B17 B22 59.8(3) . . ?
B20 B17 H17 121.5 . . ?
B20 B17 B22 60.2(3) . . ?
B22 B17 H17 122.2 . . ?
C22 B18 B14 59.0(3) . . ?
C22 B18 B17 58.9(3) . . ?
C22 B18 H18A 123.6 . . ?
C22 B18 B19 106.3(3) . . ?
C22 B18 B22 106.4(4) . . ?
B14 B18 H18A 121.6 . . ?
B17 B18 B14 107.6(4) . . ?
B17 B18 H18A 121.7 . . ?
B17 B18 B22 60.3(3) . . ?
B19 B18 B14 60.4(3) . . ?
B19 B18 B17 108.3(4) . . ?
B19 B18 H18A 121.7 . . ?
B19 B18 B22 60.3(3) . . ?
B22 B18 B14 108.4(4) . . ?
B22 B18 H18A 121.6 . . ?
B14 B19 H19 121.3 . . ?
B15 B19 B14 60.5(3) . . ?
B15 B19 B18 108.6(3) . . ?
B15 B19 H19 121.0 . . ?
B15 B19 B21 60.8(3) . . ?
B15 B19 B22 108.0(4) . . ?
B18 B19 B14 60.2(3) . . ?
B18 B19 H19 121.8 . . ?
B18 B19 B22 60.0(3) . . ?
B21 B19 B14 108.3(3) . . ?
B21 B19 B18 106.9(4) . . ?
B21 B19 H19 122.3 . . ?
B21 B19 B22 58.5(3) . . ?
B22 B19 B14 108.1(4) . . ?
B22 B19 H19 122.2 . . ?
B13 B20 H20 121.9 . . ?
B13 B20 B22 107.2(4) . . ?
B16 B20 B13 60.4(3) . . ?
B16 B20 B17 107.8(4) . . ?
B16 B20 H20 121.4 . . ?
B16 B20 B22 107.2(4) . . ?
B17 B20 B13 59.4(3) . . ?
B17 B20 H20 122.2 . . ?
B17 B20 B22 60.0(3) . . ?
B21 B20 B13 107.6(4) . . ?
B21 B20 B16 60.3(3) . . ?
B21 B20 B17 106.6(4) . . ?
B21 B20 H20 122.5 . . ?
B21 B20 B22 58.4(3) . . ?
B22 B20 H20 122.6 . . ?
B15 B21 H21 121.9 . . ?
B16 B21 B15 59.8(3) . . ?
B16 B21 H21 121.5 . . ?
B19 B21 B15 59.5(3) . . ?
B19 B21 B16 108.1(4) . . ?
B19 B21 H21 121.3 . . ?
B20 B21 B15 108.6(4) . . ?
B20 B21 B16 60.3(3) . . ?
B20 B21 B19 109.9(4) . . ?
B20 B21 H21 120.5 . . ?
B22 B21 B15 109.0(4) . . ?
B22 B21 B16 109.7(4) . . ?
B22 B21 B19 61.1(3) . . ?
B22 B21 B20 61.6(3) . . ?
B22 B21 H21 120.1 . . ?
B17 B22 B20 59.8(3) . . ?
B17 B22 H22 122.2 . . ?
B18 B22 B17 59.8(3) . . ?
B18 B22 B19 59.7(3) . . ?
B18 B22 B20 108.0(4) . . ?
B18 B22 H22 121.8 . . ?
B19 B22 B17 107.4(4) . . ?
B19 B22 B20 108.2(4) . . ?
B19 B22 H22 121.8 . . ?
B20 B22 H22 121.6 . . ?
B21 B22 B17 107.7(4) . . ?
B21 B22 B18 108.2(4) . . ?
B21 B22 B19 60.5(3) . . ?
B21 B22 B20 60.0(3) . . ?
B21 B22 H22 121.5 . . ?
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
Si1 C2 1.942(4) . ?
Si1 C3 1.862(5) . ?
Si1 C4 1.857(5) . ?
Si1 C5 1.854(5) . ?
Si2 N1 1.811(4) . ?
Si2 C6 1.863(5) . ?
Si2 C7 1.853(5) . ?
Si2 C8 1.859(5) . ?
N1 N2 1.409(5) . ?
N1 B1 1.433(6) . ?
N2 N3 1.271(5) . ?
N3 N4 1.391(5) . ?
N4 C9 1.448(5) . ?
N4 B1 1.417(6) . ?
C1 C2 1.713(5) . ?
C1 B1 1.594(6) . ?
C1 B2 1.726(6) . ?
C1 B3 1.724(6) . ?
C1 B6 1.707(6) . ?
C1 B7 1.710(6) . ?
C2 B2 1.717(7) . ?
C2 B3 1.722(6) . ?
C2 B4 1.723(6) . ?
C2 B5 1.727(7) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.403(6) . ?
C9 C14 1.408(6) . ?
C10 C11 1.406(6) . ?
C10 C18 1.520(6) . ?
C11 H11 0.9500 . ?
C11 C12 1.381(6) . ?
C12 H12 0.9500 . ?
C12 C13 1.381(6) . ?
C13 H13 0.9500 . ?
C13 C14 1.395(6) . ?
C14 C15 1.514(6) . ?
C15 H15 1.0000 . ?
C15 C16 1.540(6) . ?
C15 C17 1.512(6) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18 1.0000 . ?
C18 C19 1.535(7) . ?
C18 C20 1.525(7) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
B2 H2 1.1200 . ?
B2 B5 1.778(7) . ?
B2 B6 1.769(7) . ?
B2 B9 1.769(7) . ?
B3 H3 1.1200 . ?
B3 B4 1.779(7) . ?
B3 B7 1.773(7) . ?
B3 B8 1.784(6) . ?
B4 H4 1.1200 . ?
B4 B5 1.774(7) . ?
B4 B8 1.763(7) . ?
B4 B11 1.775(7) . ?
B5 H5 1.1200 . ?
B5 B9 1.768(8) . ?
B5 B11 1.775(7) . ?
B6 H6 1.1200 . ?
B6 B7 1.777(7) . ?
B6 B9 1.766(7) . ?
B6 B10 1.784(7) . ?
B7 H7 1.1200 . ?
B7 B8 1.771(7) . ?
B7 B10 1.784(7) . ?
B8 H8 1.1200 . ?
B8 B10 1.794(7) . ?
B8 B11 1.790(7) . ?
B9 H9 1.1200 . ?
B9 B10 1.795(8) . ?
B9 B11 1.786(7) . ?
B10 H10 1.1200 . ?
B10 B11 1.762(8) . ?
B11 H11A 1.1200 . ?
Si3 C22 1.935(4) . ?
Si3 C23 1.846(5) . ?
Si3 C24 1.864(5) . ?
Si3 C25 1.858(5) . ?
Si4 N5 1.822(4) . ?
Si4 C26 1.860(5) . ?
Si4 C27 1.847(5) . ?
Si4 C28 1.872(6) . ?
N5 N6 1.407(5) . ?
N5 B12 1.434(6) . ?
N6 N7 1.276(5) . ?
N7 N8 1.386(5) . ?
N8 C29 1.448(5) . ?
N8 B12 1.427(6) . ?
C21 C22 1.721(5) . ?
C21 B12 1.582(7) . ?
C21 B13 1.734(6) . ?
C21 B14 1.721(6) . ?
C21 B15 1.723(6) . ?
C21 B16 1.736(7) . ?
C22 B13 1.731(7) . ?
C22 B14 1.723(6) . ?
C22 B17 1.718(7) . ?
C22 B18 1.719(6) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.402(6) . ?
C29 C34 1.413(6) . ?
C30 C31 1.399(7) . ?
C30 C38 1.515(6) . ?
C31 H31 0.9500 . ?
C31 C32 1.383(7) . ?
C32 H32 0.9500 . ?
C32 C33 1.380(7) . ?
C33 H33 0.9500 . ?
C33 C34 1.395(6) . ?
C34 C35 1.521(7) . ?
C35 H35 1.0000 . ?
C35 C36 1.535(7) . ?
C35 C37 1.543(7) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38 1.0000 . ?
C38 C39 1.544(7) . ?
C38 C40 1.484(7) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
B13 H13A 1.1200 . ?
B13 B16 1.793(7) . ?
B13 B17 1.767(7) . ?
B13 B20 1.785(7) . ?
B14 H14 1.1200 . ?
B14 B15 1.788(7) . ?
B14 B18 1.781(7) . ?
B14 B19 1.785(7) . ?
B15 H15A 1.1200 . ?
B15 B16 1.778(7) . ?
B15 B19 1.764(7) . ?
B15 B21 1.788(7) . ?
B16 H16 1.1200 . ?
B16 B20 1.779(7) . ?
B16 B21 1.778(7) . ?
B17 H17 1.1200 . ?
B17 B18 1.774(7) . ?
B17 B20 1.782(7) . ?
B17 B22 1.784(7) . ?
B18 H18A 1.1200 . ?
B18 B19 1.769(7) . ?
B18 B22 1.775(7) . ?
B19 H19 1.1200 . ?
B19 B21 1.769(7) . ?
B19 B22 1.779(7) . ?
B20 H20 1.1200 . ?
B20 B21 1.761(7) . ?
B20 B22 1.788(8) . ?
B21 H21 1.1200 . ?
B21 B22 1.732(7) . ?
B22 H22 1.1200 . ?
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
Si1 C2 B2 C1 -115.6(3) . . . . ?
Si1 C2 B2 B5 106.8(3) . . . . ?
Si1 C2 B2 B6 -152.1(3) . . . . ?
Si1 C2 B2 B9 145.2(3) . . . . ?
Si1 C2 B3 C1 115.9(3) . . . . ?
Si1 C2 B3 B4 -106.9(3) . . . . ?
Si1 C2 B3 B7 152.7(3) . . . . ?
Si1 C2 B3 B8 -144.9(3) . . . . ?
Si1 C2 B4 B3 110.7(3) . . . . ?
Si1 C2 B4 B5 -108.0(3) . . . . ?
Si1 C2 B4 B8 149.4(3) . . . . ?
Si1 C2 B4 B11 -147.0(3) . . . . ?
Si1 C2 B5 B2 -111.8(3) . . . . ?
Si1 C2 B5 B4 107.7(3) . . . . ?
Si1 C2 B5 B9 -150.2(3) . . . . ?
Si1 C2 B5 B11 146.6(3) . . . . ?
Si2 N1 N2 N3 174.9(3) . . . . ?
Si2 N1 B1 N4 -172.2(4) . . . . ?
Si2 N1 B1 C1 3.3(8) . . . . ?
N1 N2 N3 N4 0.0(4) . . . . ?
N2 N1 B1 N4 0.6(4) . . . . ?
N2 N1 B1 C1 176.0(4) . . . . ?
N2 N3 N4 C9 -171.1(3) . . . . ?
N2 N3 N4 B1 0.4(4) . . . . ?
N3 N4 C9 C10 81.9(4) . . . . ?
N3 N4 C9 C14 -97.7(4) . . . . ?
N3 N4 B1 N1 -0.6(4) . . . . ?
N3 N4 B1 C1 -176.4(4) . . . . ?
N4 C9 C10 C11 177.7(4) . . . . ?
N4 C9 C10 C18 -2.7(6) . . . . ?
N4 C9 C14 C13 -176.5(4) . . . . ?
N4 C9 C14 C15 6.3(6) . . . . ?
C1 C2 B2 B5 -137.6(3) . . . . ?
C1 C2 B2 B6 -36.5(3) . . . . ?
C1 C2 B2 B9 -99.2(4) . . . . ?
C1 C2 B3 B4 137.2(3) . . . . ?
C1 C2 B3 B7 36.8(3) . . . . ?
C1 C2 B3 B8 99.2(3) . . . . ?
C1 C2 B4 B3 -38.7(3) . . . . ?
C1 C2 B4 B5 102.6(4) . . . . ?
C1 C2 B4 B8 0.0(4) . . . . ?
C1 C2 B4 B11 63.6(4) . . . . ?
C1 C2 B5 B2 38.5(3) . . . . ?
C1 C2 B5 B4 -102.0(3) . . . . ?
C1 C2 B5 B9 0.2(4) . . . . ?
C1 C2 B5 B11 -63.1(4) . . . . ?
C1 B2 B5 C2 -37.4(3) . . . . ?
C1 B2 B5 B4 -2.7(5) . . . . ?
C1 B2 B5 B9 98.9(4) . . . . ?
C1 B2 B5 B11 60.6(4) . . . . ?
C1 B2 B6 B7 -34.9(3) . . . . ?
C1 B2 B6 B9 -136.6(4) . . . . ?
C1 B2 B6 B10 -98.5(4) . . . . ?
C1 B2 B9 B5 -100.5(4) . . . . ?
C1 B2 B9 B6 37.5(3) . . . . ?
C1 B2 B9 B10 -0.3(5) . . . . ?
C1 B2 B9 B11 -62.5(4) . . . . ?
C1 B3 B4 C2 37.7(3) . . . . ?
C1 B3 B4 B5 3.4(4) . . . . ?
C1 B3 B4 B8 -98.8(4) . . . . ?
C1 B3 B4 B11 -60.2(4) . . . . ?
C1 B3 B7 B6 34.5(3) . . . . ?
C1 B3 B7 B8 136.3(4) . . . . ?
C1 B3 B7 B10 98.2(4) . . . . ?
C1 B3 B8 B4 100.0(3) . . . . ?
C1 B3 B8 B7 -37.7(3) . . . . ?
C1 B3 B8 B10 -0.1(4) . . . . ?
C1 B3 B8 B11 62.1(4) . . . . ?
C1 B6 B7 B3 -34.8(3) . . . . ?
C1 B6 B7 B8 -98.8(4) . . . . ?
C1 B6 B7 B10 -136.7(4) . . . . ?
C1 B6 B9 B2 -38.2(3) . . . . ?
C1 B6 B9 B5 -0.4(5) . . . . ?
C1 B6 B9 B10 99.6(4) . . . . ?
C1 B6 B9 B11 62.8(4) . . . . ?
C1 B6 B10 B7 37.7(3) . . . . ?
C1 B6 B10 B8 0.6(5) . . . . ?
C1 B6 B10 B9 -100.5(4) . . . . ?
C1 B6 B10 B11 -63.0(4) . . . . ?
C1 B7 B8 B3 38.3(3) . . . . ?
C1 B7 B8 B4 0.5(5) . . . . ?
C1 B7 B8 B10 -99.5(4) . . . . ?
C1 B7 B8 B11 -62.6(4) . . . . ?
C1 B7 B10 B6 -37.5(3) . . . . ?
C1 B7 B10 B8 100.5(4) . . . . ?
C1 B7 B10 B9 -0.7(5) . . . . ?
C1 B7 B10 B11 62.7(4) . . . . ?
C2 C1 B1 N1 79.7(6) . . . . ?
C2 C1 B1 N4 -105.7(5) . . . . ?
C2 C1 B2 B5 37.2(3) . . . . ?
C2 C1 B2 B6 137.9(3) . . . . ?
C2 C1 B2 B9 99.8(4) . . . . ?
C2 C1 B3 B4 -37.4(3) . . . . ?
C2 C1 B3 B7 -137.6(3) . . . . ?
C2 C1 B3 B8 -99.3(3) . . . . ?
C2 C1 B6 B2 -37.9(3) . . . . ?
C2 C1 B6 B7 102.5(3) . . . . ?
C2 C1 B6 B9 0.5(4) . . . . ?
C2 C1 B6 B10 64.2(4) . . . . ?
C2 C1 B7 B3 38.4(3) . . . . ?
C2 C1 B7 B6 -102.3(4) . . . . ?
C2 C1 B7 B8 -0.5(4) . . . . ?
C2 C1 B7 B10 -64.1(4) . . . . ?
C2 B2 B5 B4 34.8(3) . . . . ?
C2 B2 B5 B9 136.3(4) . . . . ?
C2 B2 B5 B11 98.0(4) . . . . ?
C2 B2 B6 C1 37.1(3) . . . . ?
C2 B2 B6 B7 2.2(4) . . . . ?
C2 B2 B6 B9 -99.6(4) . . . . ?
C2 B2 B6 B10 -61.4(4) . . . . ?
C2 B2 B9 B5 -38.2(3) . . . . ?
C2 B2 B9 B6 99.8(4) . . . . ?
C2 B2 B9 B10 62.1(4) . . . . ?
C2 B2 B9 B11 -0.2(5) . . . . ?
C2 B3 B4 B5 -34.3(3) . . . . ?
C2 B3 B4 B8 -136.5(4) . . . . ?
C2 B3 B4 B11 -97.9(4) . . . . ?
C2 B3 B7 C1 -37.3(3) . . . . ?
C2 B3 B7 B6 -2.8(4) . . . . ?
C2 B3 B7 B8 99.0(3) . . . . ?
C2 B3 B7 B10 60.9(4) . . . . ?
C2 B3 B8 B4 37.8(3) . . . . ?
C2 B3 B8 B7 -99.9(4) . . . . ?
C2 B3 B8 B10 -62.2(4) . . . . ?
C2 B3 B8 B11 -0.1(4) . . . . ?
C2 B4 B5 B2 -34.6(3) . . . . ?
C2 B4 B5 B9 -97.8(4) . . . . ?
C2 B4 B5 B11 -135.7(4) . . . . ?
C2 B4 B8 B3 -38.0(3) . . . . ?
C2 B4 B8 B7 -0.3(4) . . . . ?
C2 B4 B8 B10 63.0(4) . . . . ?
C2 B4 B8 B11 99.5(4) . . . . ?
C2 B4 B11 B5 38.6(3) . . . . ?
C2 B4 B11 B8 -100.3(4) . . . . ?
C2 B4 B11 B9 1.3(5) . . . . ?
C2 B4 B11 B10 -62.8(4) . . . . ?
C2 B5 B9 B2 37.8(3) . . . . ?
C2 B5 B9 B6 0.2(5) . . . . ?
C2 B5 B9 B10 -63.3(4) . . . . ?
C2 B5 B9 B11 -99.6(4) . . . . ?
C2 B5 B11 B4 -38.4(3) . . . . ?
C2 B5 B11 B8 -2.0(5) . . . . ?
C2 B5 B11 B9 99.5(4) . . . . ?
C2 B5 B11 B10 62.2(4) . . . . ?
C6 Si2 N1 N2 117.6(3) . . . . ?
C6 Si2 N1 B1 -69.9(5) . . . . ?
C7 Si2 N1 N2 -118.2(3) . . . . ?
C7 Si2 N1 B1 54.4(5) . . . . ?
C8 Si2 N1 N2 1.5(3) . . . . ?
C8 Si2 N1 B1 174.0(5) . . . . ?
C9 N4 B1 N1 168.1(4) . . . . ?
C9 N4 B1 C1 -7.7(7) . . . . ?
C9 C10 C11 C12 -0.6(6) . . . . ?
C9 C10 C18 C19 -97.5(5) . . . . ?
C9 C10 C18 C20 139.3(4) . . . . ?
C9 C14 C15 C16 83.0(5) . . . . ?
C9 C14 C15 C17 -152.8(4) . . . . ?
C10 C9 C14 C13 3.9(6) . . . . ?
C10 C9 C14 C15 -173.3(4) . . . . ?
C10 C11 C12 C13 2.5(7) . . . . ?
C11 C10 C18 C19 82.1(5) . . . . ?
C11 C10 C18 C20 -41.1(6) . . . . ?
C11 C12 C13 C14 -1.2(7) . . . . ?
C12 C13 C14 C9 -1.9(6) . . . . ?
C12 C13 C14 C15 175.3(4) . . . . ?
C13 C14 C15 C16 -94.1(5) . . . . ?
C13 C14 C15 C17 30.1(6) . . . . ?
C14 C9 C10 C11 -2.7(6) . . . . ?
C14 C9 C10 C18 176.9(4) . . . . ?
C18 C10 C11 C12 179.7(4) . . . . ?
B1 N1 N2 N3 -0.4(4) . . . . ?
B1 N4 C9 C10 -86.4(6) . . . . ?
B1 N4 C9 C14 94.0(6) . . . . ?
B1 C1 C2 Si1 0.5(5) . . . . ?
B1 C1 C2 B2 -107.7(4) . . . . ?
B1 C1 C2 B3 107.3(4) . . . . ?
B1 C1 C2 B4 146.9(4) . . . . ?
B1 C1 C2 B5 -147.0(4) . . . . ?
B1 C1 B2 C2 115.7(4) . . . . ?
B1 C1 B2 B5 152.9(4) . . . . ?
B1 C1 B2 B6 -106.4(4) . . . . ?
B1 C1 B2 B9 -144.5(4) . . . . ?
B1 C1 B3 C2 -115.9(4) . . . . ?
B1 C1 B3 B4 -153.3(3) . . . . ?
B1 C1 B3 B7 106.5(4) . . . . ?
B1 C1 B3 B8 144.8(4) . . . . ?
B1 C1 B6 B2 111.7(4) . . . . ?
B1 C1 B6 B7 -107.9(4) . . . . ?
B1 C1 B6 B9 150.2(4) . . . . ?
B1 C1 B6 B10 -146.1(4) . . . . ?
B1 C1 B7 B3 -111.4(4) . . . . ?
B1 C1 B7 B6 108.0(4) . . . . ?
B1 C1 B7 B8 -150.2(4) . . . . ?
B1 C1 B7 B10 146.2(4) . . . . ?
B2 C1 C2 Si1 108.2(4) . . . . ?
B2 C1 C2 B3 -145.0(3) . . . . ?
B2 C1 C2 B4 -105.4(4) . . . . ?
B2 C1 C2 B5 -39.3(3) . . . . ?
B2 C1 B1 N1 7.1(6) . . . . ?
B2 C1 B1 N4 -178.3(4) . . . . ?
B2 C1 B3 C2 32.2(3) . . . . ?
B2 C1 B3 B4 -5.2(4) . . . . ?
B2 C1 B3 B7 -105.4(4) . . . . ?
B2 C1 B3 B8 -67.2(4) . . . . ?
B2 C1 B6 B7 140.4(3) . . . . ?
B2 C1 B6 B9 38.4(3) . . . . ?
B2 C1 B6 B10 102.1(4) . . . . ?
B2 C1 B7 B3 103.0(4) . . . . ?
B2 C1 B7 B6 -37.7(3) . . . . ?
B2 C1 B7 B8 64.1(4) . . . . ?
B2 C1 B7 B10 0.6(5) . . . . ?
B2 C2 B3 C1 -32.5(3) . . . . ?
B2 C2 B3 B4 104.6(4) . . . . ?
B2 C2 B3 B7 4.3(4) . . . . ?
B2 C2 B3 B8 66.7(4) . . . . ?
B2 C2 B4 B3 -103.9(4) . . . . ?
B2 C2 B4 B5 37.5(4) . . . . ?
B2 C2 B4 B8 -65.2(4) . . . . ?
B2 C2 B4 B11 -1.5(4) . . . . ?
B2 C2 B5 B4 -140.5(4) . . . . ?
B2 C2 B5 B9 -38.4(3) . . . . ?
B2 C2 B5 B11 -101.6(4) . . . . ?
B2 B5 B9 B6 -37.7(3) . . . . ?
B2 B5 B9 B10 -101.1(4) . . . . ?
B2 B5 B9 B11 -137.4(4) . . . . ?
B2 B5 B11 B4 -100.0(4) . . . . ?
B2 B5 B11 B8 -63.6(5) . . . . ?
B2 B5 B11 B9 38.0(3) . . . . ?
B2 B5 B11 B10 0.6(5) . . . . ?
B2 B6 B7 C1 35.2(3) . . . . ?
B2 B6 B7 B3 0.4(4) . . . . ?
B2 B6 B7 B8 -63.6(4) . . . . ?
B2 B6 B7 B10 -101.5(4) . . . . ?
B2 B6 B9 B5 37.8(3) . . . . ?
B2 B6 B9 B10 137.8(4) . . . . ?
B2 B6 B9 B11 101.0(4) . . . . ?
B2 B6 B10 B7 100.3(4) . . . . ?
B2 B6 B10 B8 63.3(4) . . . . ?
B2 B6 B10 B9 -37.8(4) . . . . ?
B2 B6 B10 B11 -0.4(5) . . . . ?
B2 B9 B10 B6 37.7(3) . . . . ?
B2 B9 B10 B7 0.6(5) . . . . ?
B2 B9 B10 B8 -61.9(4) . . . . ?
B2 B9 B10 B11 -100.4(4) . . . . ?
B2 B9 B11 B4 -0.7(5) . . . . ?
B2 B9 B11 B5 -38.2(3) . . . . ?
B2 B9 B11 B8 62.0(5) . . . . ?
B2 B9 B11 B10 100.7(4) . . . . ?
B3 C1 C2 Si1 -106.8(4) . . . . ?
B3 C1 C2 B2 145.0(3) . . . . ?
B3 C1 C2 B4 39.6(3) . . . . ?
B3 C1 C2 B5 105.7(4) . . . . ?
B3 C1 B1 N1 152.4(4) . . . . ?
B3 C1 B1 N4 -33.0(6) . . . . ?
B3 C1 B2 C2 -32.2(3) . . . . ?
B3 C1 B2 B5 5.0(5) . . . . ?
B3 C1 B2 B6 105.7(4) . . . . ?
B3 C1 B2 B9 67.5(4) . . . . ?
B3 C1 B6 B2 -102.9(4) . . . . ?
B3 C1 B6 B7 37.5(3) . . . . ?
B3 C1 B6 B9 -64.4(4) . . . . ?
B3 C1 B6 B10 -0.7(4) . . . . ?
B3 C1 B7 B6 -140.7(3) . . . . ?
B3 C1 B7 B8 -38.9(3) . . . . ?
B3 C1 B7 B10 -102.4(4) . . . . ?
B3 C2 B2 C1 32.4(3) . . . . ?
B3 C2 B2 B5 -105.2(4) . . . . ?
B3 C2 B2 B6 -4.1(4) . . . . ?
B3 C2 B2 B9 -66.7(4) . . . . ?
B3 C2 B4 B5 141.4(4) . . . . ?
B3 C2 B4 B8 38.7(3) . . . . ?
B3 C2 B4 B11 102.4(4) . . . . ?
B3 C2 B5 B2 103.7(4) . . . . ?
B3 C2 B5 B4 -36.9(3) . . . . ?
B3 C2 B5 B9 65.3(4) . . . . ?
B3 C2 B5 B11 2.1(5) . . . . ?
B3 B4 B5 C2 34.2(3) . . . . ?
B3 B4 B5 B2 -0.4(5) . . . . ?
B3 B4 B5 B9 -63.6(4) . . . . ?
B3 B4 B5 B11 -101.5(4) . . . . ?
B3 B4 B8 B7 37.7(3) . . . . ?
B3 B4 B8 B10 100.9(4) . . . . ?
B3 B4 B8 B11 137.4(4) . . . . ?
B3 B4 B11 B5 100.5(4) . . . . ?
B3 B4 B11 B8 -38.4(3) . . . . ?
B3 B4 B11 B9 63.2(4) . . . . ?
B3 B4 B11 B10 -0.9(5) . . . . ?
B3 B7 B8 B4 -37.8(3) . . . . ?
B3 B7 B8 B10 -137.8(4) . . . . ?
B3 B7 B8 B11 -100.9(4) . . . . ?
B3 B7 B10 B6 -100.0(4) . . . . ?
B3 B7 B10 B8 38.1(3) . . . . ?
B3 B7 B10 B9 -63.1(4) . . . . ?
B3 B7 B10 B11 0.3(5) . . . . ?
B3 B8 B10 B6 -0.3(5) . . . . ?
B3 B8 B10 B7 -37.5(3) . . . . ?
B3 B8 B10 B9 62.0(4) . . . . ?
B3 B8 B10 B11 100.4(4) . . . . ?
B3 B8 B11 B4 38.0(3) . . . . ?
B3 B8 B11 B5 1.3(5) . . . . ?
B3 B8 B11 B9 -61.6(5) . . . . ?
B3 B8 B11 B10 -100.4(4) . . . . ?
B4 C2 B2 C1 100.3(3) . . . . ?
B4 C2 B2 B5 -37.4(3) . . . . ?
B4 C2 B2 B6 63.7(4) . . . . ?
B4 C2 B2 B9 1.1(4) . . . . ?
B4 C2 B3 C1 -137.2(3) . . . . ?
B4 C2 B3 B7 -100.3(4) . . . . ?
B4 C2 B3 B8 -38.0(3) . . . . ?
B4 C2 B5 B2 140.5(4) . . . . ?
B4 C2 B5 B9 102.1(4) . . . . ?
B4 C2 B5 B11 38.9(3) . . . . ?
B4 B3 B7 C1 -99.1(3) . . . . ?
B4 B3 B7 B6 -64.5(4) . . . . ?
B4 B3 B7 B8 37.2(3) . . . . ?
B4 B3 B7 B10 -0.9(4) . . . . ?
B4 B3 B8 B7 -137.7(4) . . . . ?
B4 B3 B8 B10 -100.1(4) . . . . ?
B4 B3 B8 B11 -37.9(3) . . . . ?
B4 B5 B9 B2 99.7(4) . . . . ?
B4 B5 B9 B6 62.1(4) . . . . ?
B4 B5 B9 B10 -1.4(4) . . . . ?
B4 B5 B9 B11 -37.7(3) . . . . ?
B4 B5 B11 B8 36.4(3) . . . . ?
B4 B5 B11 B9 137.9(4) . . . . ?
B4 B5 B11 B10 100.6(4) . . . . ?
B4 B8 B10 B6 -63.8(4) . . . . ?
B4 B8 B10 B7 -101.0(4) . . . . ?
B4 B8 B10 B9 -1.4(4) . . . . ?
B4 B8 B10 B11 36.9(3) . . . . ?
B4 B8 B11 B5 -36.7(3) . . . . ?
B4 B8 B11 B9 -99.7(4) . . . . ?
B4 B8 B11 B10 -138.4(4) . . . . ?
B5 C2 B2 C1 137.6(3) . . . . ?
B5 C2 B2 B6 101.1(4) . . . . ?
B5 C2 B2 B9 38.4(3) . . . . ?
B5 C2 B3 C1 -100.4(4) . . . . ?
B5 C2 B3 B4 36.7(3) . . . . ?
B5 C2 B3 B7 -63.6(4) . . . . ?
B5 C2 B3 B8 -1.3(4) . . . . ?
B5 C2 B4 B3 -141.4(4) . . . . ?
B5 C2 B4 B8 -102.6(4) . . . . ?
B5 C2 B4 B11 -39.0(3) . . . . ?
B5 B2 B6 C1 99.2(4) . . . . ?
B5 B2 B6 B7 64.3(4) . . . . ?
B5 B2 B6 B9 -37.4(3) . . . . ?
B5 B2 B6 B10 0.7(5) . . . . ?
B5 B2 B9 B6 138.0(4) . . . . ?
B5 B2 B9 B10 100.2(4) . . . . ?
B5 B2 B9 B11 38.0(3) . . . . ?
B5 B4 B8 B3 -100.4(4) . . . . ?
B5 B4 B8 B7 -62.7(4) . . . . ?
B5 B4 B8 B10 0.6(4) . . . . ?
B5 B4 B8 B11 37.0(3) . . . . ?
B5 B4 B11 B8 -138.9(4) . . . . ?
B5 B4 B11 B9 -37.3(3) . . . . ?
B5 B4 B11 B10 -101.4(4) . . . . ?
B5 B9 B10 B6 101.4(4) . . . . ?
B5 B9 B10 B7 64.3(4) . . . . ?
B5 B9 B10 B8 1.8(4) . . . . ?
B5 B9 B10 B11 -36.7(3) . . . . ?
B5 B9 B11 B4 37.4(3) . . . . ?
B5 B9 B11 B8 100.1(4) . . . . ?
B5 B9 B11 B10 138.8(4) . . . . ?
B6 C1 C2 Si1 147.1(3) . . . . ?
B6 C1 C2 B2 38.9(3) . . . . ?
B6 C1 C2 B3 -106.2(3) . . . . ?
B6 C1 C2 B4 -66.6(4) . . . . ?
B6 C1 C2 B5 -0.4(4) . . . . ?
B6 C1 B1 N1 -64.7(6) . . . . ?
B6 C1 B1 N4 110.0(5) . . . . ?
B6 C1 B2 C2 -137.9(3) . . . . ?
B6 C1 B2 B5 -100.7(4) . . . . ?
B6 C1 B2 B9 -38.1(3) . . . . ?
B6 C1 B3 C2 99.8(4) . . . . ?
B6 C1 B3 B4 62.5(4) . . . . ?
B6 C1 B3 B7 -37.7(3) . . . . ?
B6 C1 B3 B8 0.5(4) . . . . ?
B6 C1 B7 B3 140.7(3) . . . . ?
B6 C1 B7 B8 101.8(4) . . . . ?
B6 C1 B7 B10 38.3(3) . . . . ?
B6 B2 B5 C2 -98.9(4) . . . . ?
B6 B2 B5 B4 -64.1(5) . . . . ?
B6 B2 B5 B9 37.4(3) . . . . ?
B6 B2 B5 B11 -0.8(5) . . . . ?
B6 B2 B9 B5 -138.0(4) . . . . ?
B6 B2 B9 B10 -37.7(3) . . . . ?
B6 B2 B9 B11 -100.0(4) . . . . ?
B6 B7 B8 B3 100.1(4) . . . . ?
B6 B7 B8 B4 62.3(4) . . . . ?
B6 B7 B8 B10 -37.7(3) . . . . ?
B6 B7 B8 B11 -0.8(4) . . . . ?
B6 B7 B10 B8 138.0(4) . . . . ?
B6 B7 B10 B9 36.8(3) . . . . ?
B6 B7 B10 B11 100.3(4) . . . . ?
B6 B9 B10 B7 -37.1(3) . . . . ?
B6 B9 B10 B8 -99.6(4) . . . . ?
B6 B9 B10 B11 -138.1(4) . . . . ?
B6 B9 B11 B4 -64.0(5) . . . . ?
B6 B9 B11 B5 -101.5(4) . . . . ?
B6 B9 B11 B8 -1.3(5) . . . . ?
B6 B9 B11 B10 37.3(4) . . . . ?
B6 B10 B11 B4 63.3(4) . . . . ?
B6 B10 B11 B5 -0.2(5) . . . . ?
B6 B10 B11 B8 100.2(4) . . . . ?
B6 B10 B11 B9 -37.0(3) . . . . ?
B7 C1 C2 Si1 -146.0(3) . . . . ?
B7 C1 C2 B2 105.8(4) . . . . ?
B7 C1 C2 B3 -39.3(3) . . . . ?
B7 C1 C2 B4 0.4(4) . . . . ?
B7 C1 C2 B5 66.5(4) . . . . ?
B7 C1 B1 N1 -135.9(4) . . . . ?
B7 C1 B1 N4 38.7(6) . . . . ?
B7 C1 B2 C2 -100.0(3) . . . . ?
B7 C1 B2 B5 -62.8(4) . . . . ?
B7 C1 B2 B6 37.9(3) . . . . ?
B7 C1 B2 B9 -0.2(5) . . . . ?
B7 C1 B3 C2 137.6(3) . . . . ?
B7 C1 B3 B4 100.2(4) . . . . ?
B7 C1 B3 B8 38.3(3) . . . . ?
B7 C1 B6 B2 -140.4(3) . . . . ?
B7 C1 B6 B9 -102.0(4) . . . . ?
B7 C1 B6 B10 -38.3(3) . . . . ?
B7 B3 B4 C2 99.0(3) . . . . ?
B7 B3 B4 B5 64.7(4) . . . . ?
B7 B3 B4 B8 -37.4(3) . . . . ?
B7 B3 B4 B11 1.1(4) . . . . ?
B7 B3 B8 B4 137.7(4) . . . . ?
B7 B3 B8 B10 37.6(3) . . . . ?
B7 B3 B8 B11 99.8(4) . . . . ?
B7 B6 B9 B2 -100.2(4) . . . . ?
B7 B6 B9 B5 -62.4(4) . . . . ?
B7 B6 B9 B10 37.6(3) . . . . ?
B7 B6 B9 B11 0.8(5) . . . . ?
B7 B6 B10 B8 -37.0(3) . . . . ?
B7 B6 B10 B9 -138.1(4) . . . . ?
B7 B6 B10 B11 -100.7(4) . . . . ?
B7 B8 B10 B6 37.2(3) . . . . ?
B7 B8 B10 B9 99.5(4) . . . . ?
B7 B8 B10 B11 137.9(4) . . . . ?
B7 B8 B11 B4 101.0(4) . . . . ?
B7 B8 B11 B5 64.3(4) . . . . ?
B7 B8 B11 B9 1.3(5) . . . . ?
B7 B8 B11 B10 -37.4(3) . . . . ?
B7 B10 B11 B4 0.4(5) . . . . ?
B7 B10 B11 B5 -63.1(4) . . . . ?
B7 B10 B11 B8 37.2(3) . . . . ?
B7 B10 B11 B9 -99.9(4) . . . . ?
B8 B3 B4 C2 136.5(4) . . . . ?
B8 B3 B4 B5 102.1(4) . . . . ?
B8 B3 B4 B11 38.6(3) . . . . ?
B8 B3 B7 C1 -136.3(4) . . . . ?
B8 B3 B7 B6 -101.8(4) . . . . ?
B8 B3 B7 B10 -38.1(3) . . . . ?
B8 B4 B5 C2 98.4(4) . . . . ?
B8 B4 B5 B2 63.7(4) . . . . ?
B8 B4 B5 B9 0.5(5) . . . . ?
B8 B4 B5 B11 -37.4(3) . . . . ?
B8 B4 B11 B5 138.9(4) . . . . ?
B8 B4 B11 B9 101.6(4) . . . . ?
B8 B4 B11 B10 37.5(3) . . . . ?
B8 B7 B10 B6 -138.0(4) . . . . ?
B8 B7 B10 B9 -101.2(4) . . . . ?
B8 B7 B10 B11 -37.7(3) . . . . ?
B8 B10 B11 B4 -36.9(3) . . . . ?
B8 B10 B11 B5 -100.4(4) . . . . ?
B8 B10 B11 B9 -137.2(4) . . . . ?
B9 B2 B5 C2 -136.3(4) . . . . ?
B9 B2 B5 B4 -101.5(4) . . . . ?
B9 B2 B5 B11 -38.3(3) . . . . ?
B9 B2 B6 C1 136.6(4) . . . . ?
B9 B2 B6 B7 101.7(4) . . . . ?
B9 B2 B6 B10 38.1(3) . . . . ?
B9 B5 B11 B4 -137.9(4) . . . . ?
B9 B5 B11 B8 -101.5(4) . . . . ?
B9 B5 B11 B10 -37.3(3) . . . . ?
B9 B6 B7 C1 98.8(4) . . . . ?
B9 B6 B7 B3 63.9(4) . . . . ?
B9 B6 B7 B8 0.0(5) . . . . ?
B9 B6 B7 B10 -37.9(4) . . . . ?
B9 B6 B10 B7 138.1(4) . . . . ?
B9 B6 B10 B8 101.1(4) . . . . ?
B9 B6 B10 B11 37.5(4) . . . . ?
B9 B10 B11 B4 100.3(4) . . . . ?
B9 B10 B11 B5 36.8(3) . . . . ?
B9 B10 B11 B8 137.2(4) . . . . ?
B10 B6 B7 C1 136.7(4) . . . . ?
B10 B6 B7 B3 101.9(4) . . . . ?
B10 B6 B7 B8 37.9(3) . . . . ?
B10 B6 B9 B2 -137.8(4) . . . . ?
B10 B6 B9 B5 -100.0(4) . . . . ?
B10 B6 B9 B11 -36.8(4) . . . . ?
B10 B7 B8 B3 137.8(4) . . . . ?
B10 B7 B8 B4 100.0(4) . . . . ?
B10 B7 B8 B11 36.9(3) . . . . ?
B10 B8 B11 B4 138.4(4) . . . . ?
B10 B8 B11 B5 101.7(4) . . . . ?
B10 B8 B11 B9 38.7(4) . . . . ?
B10 B9 B11 B4 -101.4(4) . . . . ?
B10 B9 B11 B5 -138.8(4) . . . . ?
B10 B9 B11 B8 -38.7(3) . . . . ?
B11 B4 B5 C2 135.7(4) . . . . ?
B11 B4 B5 B2 101.1(4) . . . . ?
B11 B4 B5 B9 37.9(3) . . . . ?
B11 B4 B8 B3 -137.4(4) . . . . ?
B11 B4 B8 B7 -99.7(4) . . . . ?
B11 B4 B8 B10 -36.5(3) . . . . ?
B11 B5 B9 B2 137.4(4) . . . . ?
B11 B5 B9 B6 99.7(4) . . . . ?
B11 B5 B9 B10 36.3(3) . . . . ?
B11 B8 B10 B6 -100.7(4) . . . . ?
B11 B8 B10 B7 -137.9(4) . . . . ?
B11 B8 B10 B9 -38.4(3) . . . . ?
B11 B9 B10 B6 138.1(4) . . . . ?
B11 B9 B10 B7 101.0(4) . . . . ?
B11 B9 B10 B8 38.4(3) . . . . ?
Si3 C22 B13 C21 115.4(3) . . . . ?
Si3 C22 B13 B16 152.1(3) . . . . ?
Si3 C22 B13 B17 -106.9(3) . . . . ?
Si3 C22 B13 B20 -145.5(3) . . . . ?
Si3 C22 B14 C21 -115.3(3) . . . . ?
Si3 C22 B14 B15 -152.4(3) . . . . ?
Si3 C22 B14 B18 107.4(3) . . . . ?
Si3 C22 B14 B19 145.8(3) . . . . ?
Si3 C22 B17 B13 111.3(3) . . . . ?
Si3 C22 B17 B18 -108.3(3) . . . . ?
Si3 C22 B17 B20 150.2(3) . . . . ?
Si3 C22 B17 B22 -146.8(3) . . . . ?
Si3 C22 B18 B14 -111.2(4) . . . . ?
Si3 C22 B18 B17 108.1(3) . . . . ?
Si3 C22 B18 B19 -150.1(3) . . . . ?
Si3 C22 B18 B22 146.8(3) . . . . ?
Si4 N5 N6 N7 -174.0(3) . . . . ?
Si4 N5 B12 N8 170.9(4) . . . . ?
Si4 N5 B12 C21 -5.4(8) . . . . ?
N5 N6 N7 N8 -0.1(5) . . . . ?
N6 N5 B12 N8 -1.9(4) . . . . ?
N6 N5 B12 C21 -178.1(4) . . . . ?
N6 N7 N8 C29 168.4(4) . . . . ?
N6 N7 N8 B12 -1.2(5) . . . . ?
N7 N8 C29 C30 97.7(5) . . . . ?
N7 N8 C29 C34 -81.2(5) . . . . ?
N7 N8 B12 N5 1.9(5) . . . . ?
N7 N8 B12 C21 178.4(4) . . . . ?
N8 C29 C30 C31 175.8(4) . . . . ?
N8 C29 C30 C38 -7.5(6) . . . . ?
N8 C29 C34 C33 -177.4(4) . . . . ?
N8 C29 C34 C35 4.9(6) . . . . ?
C21 C22 B13 B16 36.7(3) . . . . ?
C21 C22 B13 B17 137.8(3) . . . . ?
C21 C22 B13 B20 99.2(4) . . . . ?
C21 C22 B14 B15 -37.1(3) . . . . ?
C21 C22 B14 B18 -137.2(4) . . . . ?
C21 C22 B14 B19 -98.9(4) . . . . ?
C21 C22 B17 B13 -38.2(3) . . . . ?
C21 C22 B17 B18 102.1(3) . . . . ?
C21 C22 B17 B20 0.6(4) . . . . ?
C21 C22 B17 B22 63.7(4) . . . . ?
C21 C22 B18 B14 38.5(3) . . . . ?
C21 C22 B18 B17 -102.2(4) . . . . ?
C21 C22 B18 B19 -0.4(4) . . . . ?
C21 C22 B18 B22 -63.5(4) . . . . ?
C21 B13 B16 B15 34.8(3) . . . . ?
C21 B13 B16 B20 136.4(4) . . . . ?
C21 B13 B16 B21 98.2(4) . . . . ?
C21 B13 B17 C22 37.2(3) . . . . ?
C21 B13 B17 B18 2.1(5) . . . . ?
C21 B13 B17 B20 -99.2(4) . . . . ?
C21 B13 B17 B22 -61.1(4) . . . . ?
C21 B13 B20 B16 -37.9(3) . . . . ?
C21 B13 B20 B17 100.2(4) . . . . ?
C21 B13 B20 B21 1.0(5) . . . . ?
C21 B13 B20 B22 62.5(4) . . . . ?
C21 B14 B15 B16 -34.7(3) . . . . ?
C21 B14 B15 B19 -136.0(4) . . . . ?
C21 B14 B15 B21 -97.8(4) . . . . ?
C21 B14 B18 C22 -37.8(3) . . . . ?
C21 B14 B18 B17 -3.2(4) . . . . ?
C21 B14 B18 B19 98.3(4) . . . . ?
C21 B14 B18 B22 60.6(4) . . . . ?
C21 B14 B19 B15 38.0(3) . . . . ?
C21 B14 B19 B18 -100.4(4) . . . . ?
C21 B14 B19 B21 -1.0(4) . . . . ?
C21 B14 B19 B22 -62.9(4) . . . . ?
C21 B15 B16 B13 -34.8(3) . . . . ?
C21 B15 B16 B20 -98.1(4) . . . . ?
C21 B15 B16 B21 -134.5(4) . . . . ?
C21 B15 B19 B14 -38.1(3) . . . . ?
C21 B15 B19 B18 -0.7(5) . . . . ?
C21 B15 B19 B21 98.7(4) . . . . ?
C21 B15 B19 B22 62.9(4) . . . . ?
C21 B15 B21 B16 39.6(3) . . . . ?
C21 B15 B21 B19 -99.9(4) . . . . ?
C21 B15 B21 B20 2.7(5) . . . . ?
C21 B15 B21 B22 -62.7(4) . . . . ?
C21 B16 B20 B13 37.9(3) . . . . ?
C21 B16 B20 B17 0.8(5) . . . . ?
C21 B16 B20 B21 -98.5(4) . . . . ?
C21 B16 B20 B22 -62.4(4) . . . . ?
C21 B16 B21 B15 -39.2(3) . . . . ?
C21 B16 B21 B19 -3.1(5) . . . . ?
C21 B16 B21 B20 99.9(4) . . . . ?
C21 B16 B21 B22 61.8(4) . . . . ?
C22 C21 B12 N5 -80.5(6) . . . . ?
C22 C21 B12 N8 104.0(5) . . . . ?
C22 C21 B13 B16 -138.0(4) . . . . ?
C22 C21 B13 B17 -36.8(3) . . . . ?
C22 C21 B13 B20 -99.8(4) . . . . ?
C22 C21 B14 B15 137.5(4) . . . . ?
C22 C21 B14 B18 37.2(3) . . . . ?
C22 C21 B14 B19 99.3(4) . . . . ?
C22 C21 B15 B14 -38.5(3) . . . . ?
C22 C21 B15 B16 102.5(4) . . . . ?
C22 C21 B15 B19 0.4(5) . . . . ?
C22 C21 B15 B21 62.7(4) . . . . ?
C22 C21 B16 B13 38.0(3) . . . . ?
C22 C21 B16 B15 -102.3(3) . . . . ?
C22 C21 B16 B20 -0.4(4) . . . . ?
C22 C21 B16 B21 -62.3(4) . . . . ?
C22 B13 B16 C21 -37.0(3) . . . . ?
C22 B13 B16 B15 -2.2(5) . . . . ?
C22 B13 B16 B20 99.4(4) . . . . ?
C22 B13 B16 B21 61.2(4) . . . . ?
C22 B13 B17 B18 -35.0(3) . . . . ?
C22 B13 B17 B20 -136.3(4) . . . . ?
C22 B13 B17 B22 -98.3(4) . . . . ?
C22 B13 B20 B16 -100.2(4) . . . . ?
C22 B13 B20 B17 38.0(3) . . . . ?
C22 B13 B20 B21 -61.3(4) . . . . ?
C22 B13 B20 B22 0.3(4) . . . . ?
C22 B14 B15 C21 37.6(3) . . . . ?
C22 B14 B15 B16 2.9(4) . . . . ?
C22 B14 B15 B19 -98.4(4) . . . . ?
C22 B14 B15 B21 -60.2(4) . . . . ?
C22 B14 B18 B17 34.6(3) . . . . ?
C22 B14 B18 B19 136.1(4) . . . . ?
C22 B14 B18 B22 98.4(4) . . . . ?
C22 B14 B19 B15 100.4(4) . . . . ?
C22 B14 B19 B18 -38.0(3) . . . . ?
C22 B14 B19 B21 61.4(4) . . . . ?
C22 B14 B19 B22 -0.5(5) . . . . ?
C22 B17 B18 B14 -34.6(3) . . . . ?
C22 B17 B18 B19 -98.4(4) . . . . ?
C22 B17 B18 B22 -136.3(4) . . . . ?
C22 B17 B20 B13 -38.5(3) . . . . ?
C22 B17 B20 B16 -0.9(5) . . . . ?
C22 B17 B20 B21 62.5(4) . . . . ?
C22 B17 B20 B22 99.1(4) . . . . ?
C22 B17 B22 B18 38.0(3) . . . . ?
C22 B17 B22 B19 0.7(5) . . . . ?
C22 B17 B22 B20 -100.7(4) . . . . ?
C22 B17 B22 B21 -63.1(4) . . . . ?
C22 B18 B19 B14 38.3(3) . . . . ?
C22 B18 B19 B15 0.7(5) . . . . ?
C22 B18 B19 B21 -63.5(4) . . . . ?
C22 B18 B19 B22 -99.8(4) . . . . ?
C22 B18 B22 B17 -38.1(3) . . . . ?
C22 B18 B22 B19 99.8(4) . . . . ?
C22 B18 B22 B20 -1.2(4) . . . . ?
C22 B18 B22 B21 62.3(4) . . . . ?
C26 Si4 N5 N6 -109.7(3) . . . . ?
C26 Si4 N5 B12 77.7(5) . . . . ?
C27 Si4 N5 N6 8.0(4) . . . . ?
C27 Si4 N5 B12 -164.6(5) . . . . ?
C28 Si4 N5 N6 125.9(3) . . . . ?
C28 Si4 N5 B12 -46.7(6) . . . . ?
C29 N8 B12 N5 -164.5(4) . . . . ?
C29 N8 B12 C21 12.0(8) . . . . ?
C29 C30 C31 C32 2.3(7) . . . . ?
C29 C30 C38 C39 -84.4(6) . . . . ?
C29 C30 C38 C40 148.5(5) . . . . ?
C29 C34 C35 C36 103.1(5) . . . . ?
C29 C34 C35 C37 -133.6(4) . . . . ?
C30 C29 C34 C33 3.7(6) . . . . ?
C30 C29 C34 C35 -174.0(4) . . . . ?
C30 C31 C32 C33 2.1(7) . . . . ?
C31 C30 C38 C39 92.3(5) . . . . ?
C31 C30 C38 C40 -34.9(7) . . . . ?
C31 C32 C33 C34 -3.8(7) . . . . ?
C32 C33 C34 C29 0.9(7) . . . . ?
C32 C33 C34 C35 178.7(4) . . . . ?
C33 C34 C35 C36 -74.5(5) . . . . ?
C33 C34 C35 C37 48.7(6) . . . . ?
C34 C29 C30 C31 -5.3(6) . . . . ?
C34 C29 C30 C38 171.4(4) . . . . ?
C38 C30 C31 C32 -174.5(4) . . . . ?
B12 N5 N6 N7 1.3(5) . . . . ?
B12 N8 C29 C30 -96.4(6) . . . . ?
B12 N8 C29 C34 84.7(6) . . . . ?
B12 C21 C22 Si3 0.1(6) . . . . ?
B12 C21 C22 B13 108.0(5) . . . . ?
B12 C21 C22 B14 -107.3(5) . . . . ?
B12 C21 C22 B17 146.8(4) . . . . ?
B12 C21 C22 B18 -146.9(4) . . . . ?
B12 C21 B13 C22 -114.4(4) . . . . ?
B12 C21 B13 B16 107.5(4) . . . . ?
B12 C21 B13 B17 -151.3(4) . . . . ?
B12 C21 B13 B20 145.8(4) . . . . ?
B12 C21 B14 C22 114.6(4) . . . . ?
B12 C21 B14 B15 -107.9(4) . . . . ?
B12 C21 B14 B18 151.9(4) . . . . ?
B12 C21 B14 B19 -146.1(4) . . . . ?
B12 C21 B15 B14 110.8(4) . . . . ?
B12 C21 B15 B16 -108.3(4) . . . . ?
B12 C21 B15 B19 149.6(4) . . . . ?
B12 C21 B15 B21 -148.1(4) . . . . ?
B12 C21 B16 B13 -111.3(4) . . . . ?
B12 C21 B16 B15 108.3(4) . . . . ?
B12 C21 B16 B20 -149.8(4) . . . . ?
B12 C21 B16 B21 148.3(4) . . . . ?
B13 C21 C22 Si3 -107.9(4) . . . . ?
B13 C21 C22 B14 144.7(4) . . . . ?
B13 C21 C22 B17 38.8(3) . . . . ?
B13 C21 C22 B18 105.1(4) . . . . ?
B13 C21 B12 N5 -8.1(7) . . . . ?
B13 C21 B12 N8 176.4(4) . . . . ?
B13 C21 B14 C22 -32.5(3) . . . . ?
B13 C21 B14 B15 104.9(4) . . . . ?
B13 C21 B14 B18 4.7(4) . . . . ?
B13 C21 B14 B19 66.8(4) . . . . ?
B13 C21 B15 B14 -103.3(4) . . . . ?
B13 C21 B15 B16 37.6(3) . . . . ?
B13 C21 B15 B19 -64.4(4) . . . . ?
B13 C21 B15 B21 -2.2(5) . . . . ?
B13 C21 B16 B15 -140.4(4) . . . . ?
B13 C21 B16 B20 -38.5(3) . . . . ?
B13 C21 B16 B21 -100.4(4) . . . . ?
B13 C22 B14 C21 32.6(3) . . . . ?
B13 C22 B14 B15 -4.5(5) . . . . ?
B13 C22 B14 B18 -104.6(4) . . . . ?
B13 C22 B14 B19 -66.3(4) . . . . ?
B13 C22 B17 B18 140.4(4) . . . . ?
B13 C22 B17 B20 38.9(3) . . . . ?
B13 C22 B17 B22 101.9(4) . . . . ?
B13 C22 B18 B14 103.4(4) . . . . ?
B13 C22 B18 B17 -37.3(3) . . . . ?
B13 C22 B18 B19 64.5(4) . . . . ?
B13 C22 B18 B22 1.4(4) . . . . ?
B13 B16 B20 B17 -37.1(3) . . . . ?
B13 B16 B20 B21 -136.4(4) . . . . ?
B13 B16 B20 B22 -100.3(4) . . . . ?
B13 B16 B21 B15 -100.6(4) . . . . ?
B13 B16 B21 B19 -64.6(4) . . . . ?
B13 B16 B21 B20 38.5(3) . . . . ?
B13 B16 B21 B22 0.4(5) . . . . ?
B13 B17 B18 C22 35.3(3) . . . . ?
B13 B17 B18 B14 0.6(5) . . . . ?
B13 B17 B18 B19 -63.1(4) . . . . ?
B13 B17 B18 B22 -101.0(4) . . . . ?
B13 B17 B20 B16 37.6(3) . . . . ?
B13 B17 B20 B21 101.0(4) . . . . ?
B13 B17 B20 B22 137.6(4) . . . . ?
B13 B17 B22 B18 100.6(4) . . . . ?
B13 B17 B22 B19 63.2(5) . . . . ?
B13 B17 B22 B20 -38.1(3) . . . . ?
B13 B17 B22 B21 -0.6(5) . . . . ?
B13 B20 B21 B15 -2.3(5) . . . . ?
B13 B20 B21 B16 -38.9(3) . . . . ?
B13 B20 B21 B19 61.1(5) . . . . ?
B13 B20 B21 B22 99.7(4) . . . . ?
B13 B20 B22 B17 37.4(3) . . . . ?
B13 B20 B22 B18 0.6(5) . . . . ?
B13 B20 B22 B19 -62.6(4) . . . . ?
B13 B20 B22 B21 -100.5(4) . . . . ?
B14 C21 C22 Si3 107.4(4) . . . . ?
B14 C21 C22 B13 -144.7(4) . . . . ?
B14 C21 C22 B17 -105.9(4) . . . . ?
B14 C21 C22 B18 -39.6(3) . . . . ?
B14 C21 B12 N5 -152.5(4) . . . . ?
B14 C21 B12 N8 32.0(6) . . . . ?
B14 C21 B13 C22 32.5(3) . . . . ?
B14 C21 B13 B16 -105.5(4) . . . . ?
B14 C21 B13 B17 -4.3(5) . . . . ?
B14 C21 B13 B20 -67.3(4) . . . . ?
B14 C21 B15 B16 140.9(4) . . . . ?
B14 C21 B15 B19 38.9(3) . . . . ?
B14 C21 B15 B21 101.2(4) . . . . ?
B14 C21 B16 B13 103.0(4) . . . . ?
B14 C21 B16 B15 -37.4(3) . . . . ?
B14 C21 B16 B20 64.5(4) . . . . ?
B14 C21 B16 B21 2.6(5) . . . . ?
B14 C22 B13 C21 -32.5(3) . . . . ?
B14 C22 B13 B16 4.2(5) . . . . ?
B14 C22 B13 B17 105.3(4) . . . . ?
B14 C22 B13 B20 66.7(4) . . . . ?
B14 C22 B17 B13 -102.9(4) . . . . ?
B14 C22 B17 B18 37.5(3) . . . . ?
B14 C22 B17 B20 -64.1(4) . . . . ?
B14 C22 B17 B22 -1.0(5) . . . . ?
B14 C22 B18 B17 -140.8(4) . . . . ?
B14 C22 B18 B19 -38.9(3) . . . . ?
B14 C22 B18 B22 -102.0(4) . . . . ?
B14 B15 B16 C21 34.4(3) . . . . ?
B14 B15 B16 B13 -0.4(5) . . . . ?
B14 B15 B16 B20 -63.7(4) . . . . ?
B14 B15 B16 B21 -100.0(4) . . . . ?
B14 B15 B19 B18 37.5(3) . . . . ?
B14 B15 B19 B21 136.8(4) . . . . ?
B14 B15 B19 B22 101.1(4) . . . . ?
B14 B15 B21 B16 101.0(4) . . . . ?
B14 B15 B21 B19 -38.5(3) . . . . ?
B14 B15 B21 B20 64.1(4) . . . . ?
B14 B15 B21 B22 -1.3(5) . . . . ?
B14 B18 B19 B15 -37.6(4) . . . . ?
B14 B18 B19 B21 -101.8(4) . . . . ?
B14 B18 B19 B22 -138.1(4) . . . . ?
B14 B18 B22 B17 -100.1(4) . . . . ?
B14 B18 B22 B19 37.7(3) . . . . ?
B14 B18 B22 B20 -63.3(4) . . . . ?
B14 B18 B22 B21 0.2(5) . . . . ?
B14 B19 B21 B15 38.8(3) . . . . ?
B14 B19 B21 B16 2.6(5) . . . . ?
B14 B19 B21 B20 -61.6(4) . . . . ?
B14 B19 B21 B22 -100.4(4) . . . . ?
B14 B19 B22 B17 -0.1(5) . . . . ?
B14 B19 B22 B18 -37.6(3) . . . . ?
B14 B19 B22 B20 63.1(4) . . . . ?
B14 B19 B22 B21 100.8(4) . . . . ?
B15 C21 C22 Si3 147.0(3) . . . . ?
B15 C21 C22 B13 -105.1(4) . . . . ?
B15 C21 C22 B14 39.6(3) . . . . ?
B15 C21 C22 B17 -66.3(4) . . . . ?
B15 C21 C22 B18 0.0(5) . . . . ?
B15 C21 B12 N5 135.1(5) . . . . ?
B15 C21 B12 N8 -40.4(6) . . . . ?
B15 C21 B13 C22 100.6(4) . . . . ?
B15 C21 B13 B16 -37.5(3) . . . . ?
B15 C21 B13 B17 63.7(4) . . . . ?
B15 C21 B13 B20 0.8(5) . . . . ?
B15 C21 B14 C22 -137.5(4) . . . . ?
B15 C21 B14 B18 -100.2(4) . . . . ?
B15 C21 B14 B19 -38.2(3) . . . . ?
B15 C21 B16 B13 140.4(4) . . . . ?
B15 C21 B16 B20 101.9(4) . . . . ?
B15 C21 B16 B21 40.0(3) . . . . ?
B15 B14 B18 C22 -99.4(4) . . . . ?
B15 B14 B18 B17 -64.8(4) . . . . ?
B15 B14 B18 B19 36.6(3) . . . . ?
B15 B14 B18 B22 -1.0(5) . . . . ?
B15 B14 B19 B18 -138.4(4) . . . . ?
B15 B14 B19 B21 -39.0(3) . . . . ?
B15 B14 B19 B22 -100.8(4) . . . . ?
B15 B16 B20 B13 99.7(4) . . . . ?
B15 B16 B20 B17 62.5(4) . . . . ?
B15 B16 B20 B21 -36.8(3) . . . . ?
B15 B16 B20 B22 -0.7(5) . . . . ?
B15 B16 B21 B19 36.1(3) . . . . ?
B15 B16 B21 B20 139.1(4) . . . . ?
B15 B16 B21 B22 101.0(4) . . . . ?
B15 B19 B21 B16 -36.2(3) . . . . ?
B15 B19 B21 B20 -100.4(4) . . . . ?
B15 B19 B21 B22 -139.3(4) . . . . ?
B15 B19 B22 B17 -64.1(5) . . . . ?
B15 B19 B22 B18 -101.5(4) . . . . ?
B15 B19 B22 B20 -0.9(5) . . . . ?
B15 B19 B22 B21 36.8(3) . . . . ?
B15 B21 B22 B17 63.9(4) . . . . ?
B15 B21 B22 B18 0.7(5) . . . . ?
B15 B21 B22 B19 -36.5(3) . . . . ?
B15 B21 B22 B20 101.4(4) . . . . ?
B16 C21 C22 Si3 -146.8(3) . . . . ?
B16 C21 C22 B13 -38.9(3) . . . . ?
B16 C21 C22 B14 105.8(4) . . . . ?
B16 C21 C22 B17 -0.1(4) . . . . ?
B16 C21 C22 B18 66.2(4) . . . . ?
B16 C21 B12 N5 64.1(6) . . . . ?
B16 C21 B12 N8 -111.4(5) . . . . ?
B16 C21 B13 C22 138.0(4) . . . . ?
B16 C21 B13 B17 101.2(4) . . . . ?
B16 C21 B13 B20 38.2(3) . . . . ?
B16 C21 B14 C22 -100.3(4) . . . . ?
B16 C21 B14 B15 37.1(3) . . . . ?
B16 C21 B14 B18 -63.1(4) . . . . ?
B16 C21 B14 B19 -1.0(4) . . . . ?
B16 C21 B15 B14 -140.9(4) . . . . ?
B16 C21 B15 B19 -102.1(4) . . . . ?
B16 C21 B15 B21 -39.8(3) . . . . ?
B16 B13 B17 C22 99.1(4) . . . . ?
B16 B13 B17 B18 64.1(4) . . . . ?
B16 B13 B17 B20 -37.2(3) . . . . ?
B16 B13 B17 B22 0.8(5) . . . . ?
B16 B13 B20 B17 138.1(4) . . . . ?
B16 B13 B20 B21 38.9(3) . . . . ?
B16 B13 B20 B22 100.4(4) . . . . ?
B16 B15 B19 B14 -100.6(4) . . . . ?
B16 B15 B19 B18 -63.1(4) . . . . ?
B16 B15 B19 B21 36.3(3) . . . . ?
B16 B15 B19 B22 0.5(5) . . . . ?
B16 B15 B21 B19 -139.5(4) . . . . ?
B16 B15 B21 B20 -36.9(3) . . . . ?
B16 B15 B21 B22 -102.3(4) . . . . ?
B16 B20 B21 B15 36.6(3) . . . . ?
B16 B20 B21 B19 100.0(4) . . . . ?
B16 B20 B21 B22 138.6(4) . . . . ?
B16 B20 B22 B17 101.0(4) . . . . ?
B16 B20 B22 B18 64.1(4) . . . . ?
B16 B20 B22 B19 1.0(5) . . . . ?
B16 B20 B22 B21 -36.9(3) . . . . ?
B16 B21 B22 B17 0.1(5) . . . . ?
B16 B21 B22 B18 -63.1(5) . . . . ?
B16 B21 B22 B19 -100.3(4) . . . . ?
B16 B21 B22 B20 37.6(4) . . . . ?
B17 C22 B13 C21 -137.8(3) . . . . ?
B17 C22 B13 B16 -101.0(4) . . . . ?
B17 C22 B13 B20 -38.6(3) . . . . ?
B17 C22 B14 C21 99.8(4) . . . . ?
B17 C22 B14 B15 62.7(4) . . . . ?
B17 C22 B14 B18 -37.4(4) . . . . ?
B17 C22 B14 B19 0.9(5) . . . . ?
B17 C22 B18 B14 140.8(4) . . . . ?
B17 C22 B18 B19 101.8(4) . . . . ?
B17 C22 B18 B22 38.8(3) . . . . ?
B17 B13 B16 C21 -98.9(4) . . . . ?
B17 B13 B16 B15 -64.1(4) . . . . ?
B17 B13 B16 B20 37.5(4) . . . . ?
B17 B13 B16 B21 -0.7(5) . . . . ?
B17 B13 B20 B16 -138.1(4) . . . . ?
B17 B13 B20 B21 -99.2(4) . . . . ?
B17 B13 B20 B22 -37.7(3) . . . . ?
B17 B18 B19 B14 100.2(4) . . . . ?
B17 B18 B19 B15 62.6(4) . . . . ?
B17 B18 B19 B21 -1.6(4) . . . . ?
B17 B18 B19 B22 -37.9(3) . . . . ?
B17 B18 B22 B19 137.9(4) . . . . ?
B17 B18 B22 B20 36.9(3) . . . . ?
B17 B18 B22 B21 100.4(4) . . . . ?
B17 B20 B21 B15 -64.7(5) . . . . ?
B17 B20 B21 B16 -101.4(4) . . . . ?
B17 B20 B21 B19 -1.4(5) . . . . ?
B17 B20 B21 B22 37.3(3) . . . . ?
B17 B20 B22 B18 -36.9(3) . . . . ?
B17 B20 B22 B19 -100.0(4) . . . . ?
B17 B20 B22 B21 -137.9(4) . . . . ?
B18 C22 B13 C21 -100.3(3) . . . . ?
B18 C22 B13 B16 -63.5(4) . . . . ?
B18 C22 B13 B17 37.5(3) . . . . ?
B18 C22 B13 B20 -1.1(4) . . . . ?
B18 C22 B14 C21 137.2(4) . . . . ?
B18 C22 B14 B15 100.1(4) . . . . ?
B18 C22 B14 B19 38.3(3) . . . . ?
B18 C22 B17 B13 -140.4(4) . . . . ?
B18 C22 B17 B20 -101.5(4) . . . . ?
B18 C22 B17 B22 -38.5(3) . . . . ?
B18 B14 B15 C21 99.3(4) . . . . ?
B18 B14 B15 B16 64.5(4) . . . . ?
B18 B14 B15 B19 -36.8(3) . . . . ?
B18 B14 B15 B21 1.4(4) . . . . ?
B18 B14 B19 B15 138.4(4) . . . . ?
B18 B14 B19 B21 99.4(4) . . . . ?
B18 B14 B19 B22 37.5(3) . . . . ?
B18 B17 B20 B13 -100.6(4) . . . . ?
B18 B17 B20 B16 -63.1(4) . . . . ?
B18 B17 B20 B21 0.4(5) . . . . ?
B18 B17 B20 B22 36.9(3) . . . . ?
B18 B17 B22 B19 -37.4(3) . . . . ?
B18 B17 B22 B20 -138.7(4) . . . . ?
B18 B17 B22 B21 -101.2(4) . . . . ?
B18 B19 B21 B15 102.3(4) . . . . ?
B18 B19 B21 B16 66.0(4) . . . . ?
B18 B19 B21 B20 1.8(5) . . . . ?
B18 B19 B21 B22 -37.0(3) . . . . ?
B18 B19 B22 B17 37.4(3) . . . . ?
B18 B19 B22 B20 100.6(4) . . . . ?
B18 B19 B22 B21 138.3(4) . . . . ?
B19 B14 B15 C21 136.0(4) . . . . ?
B19 B14 B15 B16 101.3(4) . . . . ?
B19 B14 B15 B21 38.2(3) . . . . ?
B19 B14 B18 C22 -136.1(4) . . . . ?
B19 B14 B18 B17 -101.5(4) . . . . ?
B19 B14 B18 B22 -37.7(3) . . . . ?
B19 B15 B16 C21 98.3(4) . . . . ?
B19 B15 B16 B13 63.4(4) . . . . ?
B19 B15 B16 B20 0.1(5) . . . . ?
B19 B15 B16 B21 -36.2(3) . . . . ?
B19 B15 B21 B16 139.5(4) . . . . ?
B19 B15 B21 B20 102.6(4) . . . . ?
B19 B15 B21 B22 37.2(3) . . . . ?
B19 B18 B22 B17 -137.9(4) . . . . ?
B19 B18 B22 B20 -101.0(4) . . . . ?
B19 B18 B22 B21 -37.5(3) . . . . ?
B19 B21 B22 B17 100.4(4) . . . . ?
B19 B21 B22 B18 37.2(3) . . . . ?
B19 B21 B22 B20 137.9(4) . . . . ?
B20 B13 B16 C21 -136.4(4) . . . . ?
B20 B13 B16 B15 -101.6(4) . . . . ?
B20 B13 B16 B21 -38.2(3) . . . . ?
B20 B13 B17 C22 136.3(4) . . . . ?
B20 B13 B17 B18 101.3(4) . . . . ?
B20 B13 B17 B22 38.0(3) . . . . ?
B20 B16 B21 B15 -139.1(4) . . . . ?
B20 B16 B21 B19 -103.1(4) . . . . ?
B20 B16 B21 B22 -38.1(4) . . . . ?
B20 B17 B18 C22 99.2(4) . . . . ?
B20 B17 B18 B14 64.5(4) . . . . ?
B20 B17 B18 B19 0.8(5) . . . . ?
B20 B17 B18 B22 -37.1(3) . . . . ?
B20 B17 B22 B18 138.7(4) . . . . ?
B20 B17 B22 B19 101.3(4) . . . . ?
B20 B17 B22 B21 37.6(3) . . . . ?
B20 B21 B22 B17 -37.5(4) . . . . ?
B20 B21 B22 B18 -100.7(4) . . . . ?
B20 B21 B22 B19 -137.9(4) . . . . ?
B21 B15 B16 C21 134.5(4) . . . . ?
B21 B15 B16 B13 99.7(4) . . . . ?
B21 B15 B16 B20 36.3(3) . . . . ?
B21 B15 B19 B14 -136.8(4) . . . . ?
B21 B15 B19 B18 -99.4(4) . . . . ?
B21 B15 B19 B22 -35.8(3) . . . . ?
B21 B16 B20 B13 136.4(4) . . . . ?
B21 B16 B20 B17 99.3(4) . . . . ?
B21 B16 B20 B22 36.1(3) . . . . ?
B21 B19 B22 B17 -100.9(4) . . . . ?
B21 B19 B22 B18 -138.3(4) . . . . ?
B21 B19 B22 B20 -37.7(3) . . . . ?
B21 B20 B22 B17 137.9(4) . . . . ?
B21 B20 B22 B18 101.1(4) . . . . ?
B21 B20 B22 B19 37.9(3) . . . . ?
B22 B17 B18 C22 136.3(4) . . . . ?
B22 B17 B18 B14 101.6(4) . . . . ?
B22 B17 B18 B19 37.9(3) . . . . ?
B22 B17 B20 B13 -137.6(4) . . . . ?
B22 B17 B20 B16 -100.0(4) . . . . ?
B22 B17 B20 B21 -36.6(3) . . . . ?
B22 B18 B19 B14 138.1(4) . . . . ?
B22 B18 B19 B15 100.5(4) . . . . ?
B22 B18 B19 B21 36.3(3) . . . . ?
B22 B19 B21 B15 139.3(4) . . . . ?
B22 B19 B21 B16 103.0(4) . . . . ?
B22 B19 B21 B20 38.9(4) . . . . ?
B22 B20 B21 B15 -102.0(4) . . . . ?
B22 B20 B21 B16 -138.6(4) . . . . ?
B22 B20 B21 B19 -38.6(4) . . . . ?
