#------------------------------------------------------------------------------
#$Date: 2022-06-29 01:51:08 +0300 (Wed, 29 Jun 2022) $
#$Revision: 276371 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/06/7710622.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_7710622
loop_
_publ_author_name
'Duttwyler, Simon'
'Liu, Fan'
'Chen, Tao'
'Zhang, Kang'
'Jiang, Tao'
'Liu, Jiyong'
_publ_section_title
;
 Sonogashira Coupling of the Ethynyl Monocarborane [CB11H11-12-CCH]--
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT01048H
_journal_year                    2022
_chemical_formula_moiety         'C8 H15 B11 N, C8 H20 N'
_chemical_formula_sum            'C16 H35 B11 N2'
_chemical_formula_weight         374.37
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2021-05-27
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2021-12-15 deposited with the CCDC.	2022-06-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 95.226(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.8925(10)
_cell_length_b                   22.8056(10)
_cell_length_c                   11.5812(6)
_cell_measurement_reflns_used    9268
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      26.65
_cell_measurement_theta_min      2.45
_cell_volume                     4706.1(4)
_computing_cell_refinement       'SAINT V8.40B (Bruker Nano, Inc., 2019)'
_computing_data_collection       'Bruker Instrument Service vV6.2.14'
_computing_data_reduction        'SAINT V8.40B (Bruker Nano, Inc., 2019)'
_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)'
_diffrn_ambient_temperature      170.0
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'zju Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0916
_diffrn_reflns_av_unetI/netI     0.0519
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            72768
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.768
_diffrn_reflns_theta_min         1.979
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.054
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6900
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1558 before and 0.0719 after correction.
The Ratio of minimum to maximum transmission is 0.9257.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.057
_exptl_crystal_description       plate
_exptl_crystal_F_000             1600
_exptl_crystal_size_max          0.459
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.338
_refine_diff_density_min         -0.210
_refine_diff_density_rms         0.050
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     531
_refine_ls_number_reflns         10014
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0981
_refine_ls_R_factor_gt           0.0613
_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)+(0.0827P)²+1.7231P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1532
_refine_ls_wR_factor_ref         0.1835
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6664
_reflns_number_total             10014
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt01048h2.cif
_cod_data_source_block           mo_210524_et4n_py
_cod_database_code               7710622
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.997
_shelx_estimated_absorpt_t_min   0.976
_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 Secondary CH2 refined with riding coordinates:
 C9(H9B,H9C), C11(H11B,H11C), C13(H13A,H13B), C15(H15A,H15B), C9A(H9AA,H9AB),
 C11A(H11D,H11E), C13A(H13C,H13D), C15A(H15C,H15D)
2.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C7(H7), C8(H8), C5A(H5AA), C6A(H6AA), C7A(H7AA), C8A(H8AA)
2.c Idealised Me refined as rotating group:
 C10(H10B,H10C,H10D), C12(H12A,H12B,H12C), C14(H14A,H14B,H14C), C16(H16A,H16B,
 H16C), C10A(H10E,H10F,H10G), C12A(H12D,H12E,H12F), C14A(H14D,H14E,H14F),
 C16A(H16D,H16E,H16F)
2.d Boron cage BH refined with riding coordinates:
 C1(H1), B2(H2), B3(H3), B4(H4), B5(H5A), B6(H6A), B7(H7A), B8(H8A), B9(H9),
 B10(H10), B11(H11), C1A(H1A), B2A(H2A), B3A(H3A), B4A(H4A), B5A(H5AB),
 B6A(H6AB), B7A(H7AB), B8A(H8AB), B9A(H9A), B10A(H10A), B11A(H11A)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.84430(10) 0.52603(8) 0.58294(15) 0.0427(4) Uani 1 1 d . . . . .
C1 C 0.88264(12) 0.28558(8) 1.32701(17) 0.0386(5) Uani 1 1 d . . . . .
H1 H 0.893193 0.258226 1.407164 0.046 Uiso 1 1 calc R . . . .
C2 C 0.84069(11) 0.40118(9) 0.98382(17) 0.0395(5) Uani 1 1 d . . . . .
C3 C 0.83629(12) 0.42861(10) 0.89449(18) 0.0414(5) Uani 1 1 d . . . . .
C4 C 0.83657(10) 0.46138(9) 0.78822(17) 0.0360(4) Uani 1 1 d . . . . .
C5 C 0.84015(13) 0.52227(10) 0.78928(18) 0.0466(5) Uani 1 1 d . . . . .
H5 H 0.839660 0.543216 0.860114 0.056 Uiso 1 1 calc R . . . .
C6 C 0.84443(13) 0.55201(10) 0.68593(19) 0.0474(5) Uani 1 1 d . . . . .
H6 H 0.847666 0.593579 0.688627 0.057 Uiso 1 1 calc R . . . .
C7 C 0.83893(11) 0.46776(9) 0.58251(18) 0.0402(5) Uani 1 1 d . . . . .
H7 H 0.837285 0.448268 0.509822 0.048 Uiso 1 1 calc R . . . .
C8 C 0.83560(11) 0.43368(9) 0.68091(17) 0.0369(4) Uani 1 1 d . . . . .
H8 H 0.832700 0.392172 0.675312 0.044 Uiso 1 1 calc R . . . .
B2 B 0.95821(13) 0.30479(10) 1.25639(19) 0.0355(5) Uani 1 1 d . . . . .
H2 H 1.017676 0.292114 1.283709 0.043 Uiso 1 1 calc R . . . .
B3 B 0.89179(14) 0.25268(10) 1.1972(2) 0.0382(5) Uani 1 1 d . . . . .
H3 H 0.907524 0.205658 1.185531 0.046 Uiso 1 1 calc R . . . .
B4 B 0.80288(14) 0.27253(10) 1.2396(2) 0.0388(5) Uani 1 1 d . . . . .
H4 H 0.759978 0.238490 1.255945 0.047 Uiso 1 1 calc R . . . .
B5 B 0.81349(14) 0.33694(10) 1.32514(19) 0.0369(5) Uani 1 1 d . . . . .
H5A H 0.777703 0.345418 1.397828 0.044 Uiso 1 1 calc R . . . .
B6 B 0.90964(13) 0.35687(10) 1.33524(19) 0.0353(5) Uani 1 1 d . . . . .
H6A H 0.937228 0.378586 1.414761 0.042 Uiso 1 1 calc R . . . .
B7 B 0.93440(13) 0.37429(9) 1.19487(18) 0.0328(5) Uani 1 1 d . . . . .
H7A H 0.978003 0.408044 1.180188 0.039 Uiso 1 1 calc R . . . .
B8 B 0.92326(12) 0.30921(10) 1.10897(19) 0.0345(5) Uani 1 1 d . . . . .
H8A H 0.959653 0.300051 1.037337 0.041 Uiso 1 1 calc R . . . .
B9 B 0.82622(12) 0.28892(10) 1.09869(19) 0.0345(5) Uani 1 1 d . . . . .
H9 H 0.798447 0.266303 1.020332 0.041 Uiso 1 1 calc R . . . .
B10 B 0.77747(12) 0.34166(9) 1.17806(19) 0.0330(5) Uani 1 1 d . . . . .
H10 H 0.717667 0.353921 1.152176 0.040 Uiso 1 1 calc R . . . .
B11 B 0.84406(12) 0.39409(9) 1.23744(18) 0.0327(5) Uani 1 1 d . . . . .
H11 H 0.828151 0.440941 1.250715 0.039 Uiso 1 1 calc R . . . .
B12 B 0.85240(12) 0.36447(9) 1.09648(18) 0.0317(5) Uani 1 1 d . . . . .
N1A N 0.67139(10) 0.48242(8) 1.45205(15) 0.0459(5) Uani 1 1 d . . . . .
C1A C 0.60680(12) 0.71211(8) 0.69245(17) 0.0375(4) Uani 1 1 d . . . . .
H1A H 0.595631 0.737532 0.609940 0.045 Uiso 1 1 calc R . . . .
C2A C 0.65210(11) 0.60491(10) 1.04597(18) 0.0413(5) Uani 1 1 d . . . . .
C3A C 0.65971(11) 0.57903(10) 1.13646(18) 0.0422(5) Uani 1 1 d . . . . .
C4A C 0.66601(11) 0.54664(9) 1.24410(17) 0.0374(5) Uani 1 1 d . . . . .
C5A C 0.67358(11) 0.57443(10) 1.35126(18) 0.0399(5) Uani 1 1 d . . . . .
H5AA H 0.676983 0.615944 1.356043 0.048 Uiso 1 1 calc R . . . .
C6A C 0.67611(12) 0.54073(10) 1.45109(18) 0.0435(5) Uani 1 1 d . . . . .
H6AA H 0.681564 0.560481 1.523584 0.052 Uiso 1 1 calc R . . . .
C7A C 0.66525(14) 0.45625(10) 1.34877(19) 0.0504(6) Uani 1 1 d . . . . .
H7AA H 0.662346 0.414665 1.346847 0.060 Uiso 1 1 calc R . . . .
C8A C 0.66283(13) 0.48573(10) 1.24433(19) 0.0480(5) Uani 1 1 d . . . . .
H8AA H 0.659029 0.464591 1.173350 0.058 Uiso 1 1 calc R . . . .
B2A B 0.59385(13) 0.74715(10) 0.8186(2) 0.0374(5) Uani 1 1 d . . . . .
H2A H 0.574988 0.793733 0.825674 0.045 Uiso 1 1 calc R . . . .
B3A B 0.53138(13) 0.69150(10) 0.7620(2) 0.0372(5) Uani 1 1 d . . . . .
H3A H 0.471426 0.701344 0.731977 0.045 Uiso 1 1 calc R . . . .
B4A B 0.58406(14) 0.63981(10) 0.6889(2) 0.0387(5) Uani 1 1 d . . . . .
H4A H 0.558798 0.615636 0.610714 0.046 Uiso 1 1 calc R . . . .
B5A B 0.67911(14) 0.66348(10) 0.7005(2) 0.0388(5) Uani 1 1 d . . . . .
H5AB H 0.716403 0.654911 0.629781 0.047 Uiso 1 1 calc R . . . .
B6A B 0.68467(13) 0.72981(10) 0.7806(2) 0.0366(5) Uani 1 1 d . . . . .
H6AB H 0.725720 0.764954 0.762427 0.044 Uiso 1 1 calc R . . . .
B7A B 0.66018(12) 0.71541(10) 0.92213(19) 0.0347(5) Uani 1 1 d . . . . .
H7AB H 0.685371 0.740544 0.999156 0.042 Uiso 1 1 calc R . . . .
B8A B 0.56493(13) 0.69152(10) 0.91051(19) 0.0367(5) Uani 1 1 d . . . . .
H8AB H 0.527089 0.700922 0.980148 0.044 Uiso 1 1 calc R . . . .
B9A B 0.55880(13) 0.62443(10) 0.8301(2) 0.0369(5) Uani 1 1 d . . . . .
H9A H 0.517130 0.589435 0.846484 0.044 Uiso 1 1 calc R . . . .
B10A B 0.65111(13) 0.60714(9) 0.7920(2) 0.0364(5) Uani 1 1 d . . . . .
H10A H 0.670381 0.560759 0.783196 0.044 Uiso 1 1 calc R . . . .
B11A B 0.71362(13) 0.66294(9) 0.84935(19) 0.0344(5) Uani 1 1 d . . . . .
H11A H 0.773803 0.653392 0.878416 0.041 Uiso 1 1 calc R . . . .
B12A B 0.63856(13) 0.63905(10) 0.93002(19) 0.0347(5) Uani 1 1 d . . . . .
N2 N 1.09000(8) 0.38223(6) 0.74963(13) 0.0288(3) Uani 1 1 d . . . . .
C9 C 1.02641(11) 0.38648(9) 0.82704(17) 0.0401(5) Uani 1 1 d . . . . .
H9B H 0.981282 0.401385 0.780388 0.048 Uiso 1 1 calc R . . . .
H9C H 1.014717 0.346575 0.853835 0.048 Uiso 1 1 calc R . . . .
C10 C 1.04197(15) 0.42535(13) 0.9315(2) 0.0649(7) Uani 1 1 d . . . . .
H10B H 1.055510 0.464675 0.906394 0.097 Uiso 1 1 calc GR . . . .
H10C H 1.083524 0.408941 0.982392 0.097 Uiso 1 1 calc GR . . . .
H10D H 0.997018 0.427730 0.973683 0.097 Uiso 1 1 calc GR . . . .
C11 C 1.16017(11) 0.35821(9) 0.81568(18) 0.0390(5) Uani 1 1 d . . . . .
H11B H 1.178088 0.386955 0.876020 0.047 Uiso 1 1 calc R . . . .
H11C H 1.199618 0.354441 0.761491 0.047 Uiso 1 1 calc R . . . .
C12 C 1.15059(13) 0.29930(10) 0.8734(2) 0.0508(6) Uani 1 1 d . . . . .
H12A H 1.134662 0.270014 0.814247 0.076 Uiso 1 1 calc GR . . . .
H12B H 1.112479 0.302588 0.928664 0.076 Uiso 1 1 calc GR . . . .
H12C H 1.198433 0.287248 0.914416 0.076 Uiso 1 1 calc GR . . . .
C13 C 1.06324(12) 0.34165(9) 0.64952(17) 0.0413(5) Uani 1 1 d . . . . .
H13A H 1.049964 0.303266 0.681951 0.050 Uiso 1 1 calc R . . . .
H13B H 1.016961 0.358367 0.609026 0.050 Uiso 1 1 calc R . . . .
C14 C 1.11926(16) 0.33153(11) 0.5616(2) 0.0613(7) Uani 1 1 d . . . . .
H14A H 1.096373 0.307142 0.498315 0.092 Uiso 1 1 calc GR . . . .
H14B H 1.163579 0.311593 0.599022 0.092 Uiso 1 1 calc GR . . . .
H14C H 1.134202 0.369301 0.530560 0.092 Uiso 1 1 calc GR . . . .
C15 C 1.10925(11) 0.44223(8) 0.70433(17) 0.0367(4) Uani 1 1 d . . . . .
H15A H 1.128944 0.466829 0.770680 0.044 Uiso 1 1 calc R . . . .
H15B H 1.149852 0.437715 0.652368 0.044 Uiso 1 1 calc R . . . .
C16 C 1.04429(13) 0.47409(9) 0.63901(19) 0.0440(5) Uani 1 1 d . . . . .
H16A H 1.024849 0.450548 0.572105 0.066 Uiso 1 1 calc GR . . . .
H16B H 1.061530 0.512096 0.612205 0.066 Uiso 1 1 calc GR . . . .
H16C H 1.004426 0.480240 0.690429 0.066 Uiso 1 1 calc GR . . . .
N2A N 0.59255(8) 0.38890(6) 0.76792(13) 0.0277(3) Uani 1 1 d . . . . .
C9A C 0.57078(12) 0.33517(9) 0.83346(19) 0.0407(5) Uani 1 1 d . . . . .
H9AA H 0.530717 0.346389 0.882772 0.049 Uiso 1 1 calc R . . . .
H9AB H 0.549200 0.305984 0.776550 0.049 Uiso 1 1 calc R . . . .
C10A C 0.63282(13) 0.30608(11) 0.9090(2) 0.0532(6) Uani 1 1 d . . . . .
H10E H 0.671407 0.292082 0.860813 0.080 Uiso 1 1 calc GR . . . .
H10F H 0.612439 0.272822 0.949599 0.080 Uiso 1 1 calc GR . . . .
H10G H 0.655045 0.334377 0.965862 0.080 Uiso 1 1 calc GR . . . .
C11A C 0.65195(13) 0.37507(10) 0.6876(2) 0.0502(6) Uani 1 1 d . . . . .
H11D H 0.665184 0.411855 0.648839 0.060 Uiso 1 1 calc R . . . .
H11E H 0.697464 0.361448 0.735002 0.060 Uiso 1 1 calc R . . . .
C12A C 0.6315(2) 0.33008(14) 0.5960(3) 0.0923(11) Uani 1 1 d . . . . .
H12D H 0.673011 0.325558 0.547040 0.138 Uiso 1 1 calc GR . . . .
H12E H 0.586366 0.342724 0.548313 0.138 Uiso 1 1 calc GR . . . .
H12F H 0.621835 0.292483 0.632860 0.138 Uiso 1 1 calc GR . . . .
C13A C 0.52142(11) 0.41088(10) 0.70178(19) 0.0437(5) Uani 1 1 d . . . . .
H13C H 0.482713 0.415907 0.756857 0.052 Uiso 1 1 calc R . . . .
H13D H 0.503116 0.380569 0.644866 0.052 Uiso 1 1 calc R . . . .
C14A C 0.52960(13) 0.46823(10) 0.6379(2) 0.0528(6) Uani 1 1 d . . . . .
H14D H 0.568162 0.464015 0.583616 0.079 Uiso 1 1 calc GR . . . .
H14E H 0.544296 0.499303 0.693915 0.079 Uiso 1 1 calc GR . . . .
H14F H 0.481617 0.478446 0.595047 0.079 Uiso 1 1 calc GR . . . .
C15A C 0.62514(14) 0.43522(10) 0.8511(2) 0.0507(6) Uani 1 1 d . . . . .
H15C H 0.640814 0.469179 0.805868 0.061 Uiso 1 1 calc R . . . .
H15D H 0.670617 0.419151 0.895098 0.061 Uiso 1 1 calc R . . . .
C16A C 0.5716(2) 0.45654(14) 0.9367(2) 0.0886(11) Uani 1 1 d . . . . .
H16D H 0.525552 0.471271 0.894147 0.133 Uiso 1 1 calc GR . . . .
H16E H 0.595442 0.488117 0.984181 0.133 Uiso 1 1 calc GR . . . .
H16F H 0.559293 0.423999 0.986842 0.133 Uiso 1 1 calc GR . . . .
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'
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
C6 N1 C7 116.20(18) . . ?
B2 C1 H1 117.4 . . ?
B2 C1 B3 62.86(13) . . ?
B2 C1 B5 115.17(15) . . ?
B3 C1 H1 117.7 . . ?
B3 C1 B5 114.87(16) . . ?
B4 C1 H1 117.7 . . ?
B4 C1 B2 114.83(16) . . ?
B4 C1 B3 62.58(13) . . ?
B4 C1 B5 62.80(13) . . ?
B5 C1 H1 117.5 . . ?
B6 C1 H1 117.5 . . ?
B6 C1 B2 62.94(13) . . ?
B6 C1 B3 114.99(15) . . ?
B6 C1 B4 114.88(15) . . ?
B6 C1 B5 62.88(13) . . ?
C3 C2 B12 175.6(2) . . ?
C2 C3 C4 176.1(2) . . ?
C5 C4 C3 120.96(19) . . ?
C5 C4 C8 117.24(18) . . ?
C8 C4 C3 121.77(19) . . ?
C4 C5 H5 120.4 . . ?
C6 C5 C4 119.2(2) . . ?
C6 C5 H5 120.4 . . ?
N1 C6 C5 124.1(2) . . ?
N1 C6 H6 117.9 . . ?
C5 C6 H6 117.9 . . ?
N1 C7 H7 117.8 . . ?
N1 C7 C8 124.4(2) . . ?
C8 C7 H7 117.8 . . ?
C4 C8 H8 120.6 . . ?
C7 C8 C4 118.80(19) . . ?
C7 C8 H8 120.6 . . ?
C1 B2 H2 125.0 . . ?
C1 B2 B3 58.60(13) . . ?
C1 B2 B6 58.42(12) . . ?
C1 B2 B7 104.54(15) . . ?
C1 B2 B8 104.63(16) . . ?
B3 B2 H2 121.5 . . ?
B3 B2 B7 108.40(16) . . ?
B6 B2 H2 121.7 . . ?
B6 B2 B3 107.77(16) . . ?
B6 B2 B7 59.82(12) . . ?
B7 B2 H2 122.1 . . ?
B8 B2 H2 122.1 . . ?
B8 B2 B3 59.95(13) . . ?
B8 B2 B6 108.21(16) . . ?
B8 B2 B7 60.65(12) . . ?
C1 B3 B2 58.55(12) . . ?
C1 B3 H3 125.1 . . ?
C1 B3 B4 58.65(13) . . ?
C1 B3 B8 104.50(15) . . ?
C1 B3 B9 104.64(15) . . ?
B2 B3 H3 121.4 . . ?
B4 B3 B2 108.04(16) . . ?
B4 B3 H3 121.4 . . ?
B4 B3 B8 108.41(16) . . ?
B8 B3 B2 59.83(12) . . ?
B8 B3 H3 122.1 . . ?
B9 B3 B2 108.57(15) . . ?
B9 B3 H3 122.0 . . ?
B9 B3 B4 59.81(13) . . ?
B9 B3 B8 60.87(13) . . ?
C1 B4 B3 58.77(13) . . ?
C1 B4 H4 124.9 . . ?
C1 B4 B5 58.69(13) . . ?
C1 B4 B9 104.94(16) . . ?
C1 B4 B10 104.75(15) . . ?
B3 B4 H4 121.2 . . ?
B3 B4 B5 108.33(16) . . ?
B3 B4 B10 108.73(16) . . ?
B5 B4 H4 121.3 . . ?
B9 B4 B3 60.08(13) . . ?
B9 B4 H4 121.9 . . ?
B9 B4 B5 108.65(15) . . ?
B9 B4 B10 60.83(12) . . ?
B10 B4 H4 122.0 . . ?
B10 B4 B5 59.87(12) . . ?
C1 B5 B4 58.51(13) . . ?
C1 B5 H5A 125.0 . . ?
C1 B5 B6 58.39(13) . . ?
C1 B5 B10 104.76(15) . . ?
C1 B5 B11 104.59(15) . . ?
B4 B5 H5A 121.6 . . ?
B4 B5 B6 107.65(16) . . ?
B6 B5 H5A 121.6 . . ?
B10 B5 B4 60.06(13) . . ?
B10 B5 H5A 122.0 . . ?
B10 B5 B6 108.32(15) . . ?
B10 B5 B11 60.46(12) . . ?
B11 B5 B4 108.21(15) . . ?
B11 B5 H5A 122.2 . . ?
B11 B5 B6 60.02(13) . . ?
C1 B6 B2 58.64(12) . . ?
C1 B6 B5 58.73(13) . . ?
C1 B6 H6A 124.9 . . ?
C1 B6 B7 104.93(15) . . ?
C1 B6 B11 104.75(16) . . ?
B2 B6 H6A 121.3 . . ?
B5 B6 B2 108.21(16) . . ?
B5 B6 H6A 121.3 . . ?
B7 B6 B2 60.10(12) . . ?
B7 B6 B5 108.65(15) . . ?
B7 B6 H6A 121.9 . . ?
B7 B6 B11 60.76(12) . . ?
B11 B6 B2 108.59(15) . . ?
B11 B6 B5 59.89(13) . . ?
B11 B6 H6A 122.0 . . ?
B2 B7 H7A 122.0 . . ?
B2 B7 B8 59.49(12) . . ?
B2 B7 B11 107.74(15) . . ?
B2 B7 B12 107.29(15) . . ?
B6 B7 B2 60.08(12) . . ?
B6 B7 H7A 122.0 . . ?
B6 B7 B8 107.49(15) . . ?
B6 B7 B11 59.70(12) . . ?
B6 B7 B12 107.33(16) . . ?
B8 B7 H7A 122.0 . . ?
B8 B7 B11 107.75(15) . . ?
B8 B7 B12 59.86(12) . . ?
B11 B7 H7A 121.8 . . ?
B12 B7 H7A 122.1 . . ?
B12 B7 B11 59.86(12) . . ?
B2 B8 B3 60.22(13) . . ?
B2 B8 B7 59.86(12) . . ?
B2 B8 H8A 121.8 . . ?
B2 B8 B9 107.77(16) . . ?
B2 B8 B12 107.76(15) . . ?
B3 B8 B7 107.99(15) . . ?
B3 B8 H8A 121.9 . . ?
B3 B8 B9 59.48(13) . . ?
B3 B8 B12 107.49(16) . . ?
B7 B8 H8A 121.6 . . ?
B7 B8 B9 108.06(15) . . ?
B9 B8 H8A 121.9 . . ?
B12 B8 B7 60.08(12) . . ?
B12 B8 H8A 121.9 . . ?
B12 B8 B9 59.97(12) . . ?
B3 B9 B8 59.66(13) . . ?
B3 B9 H9 121.9 . . ?
B3 B9 B10 108.01(15) . . ?
B3 B9 B12 107.53(15) . . ?
B4 B9 B3 60.10(13) . . ?
B4 B9 B8 107.68(16) . . ?
B4 B9 H9 121.9 . . ?
B4 B9 B10 59.90(12) . . ?
B4 B9 B12 107.61(15) . . ?
B8 B9 H9 121.9 . . ?
B10 B9 B8 107.90(15) . . ?
B10 B9 H9 121.7 . . ?
B12 B9 B8 59.85(12) . . ?
B12 B9 H9 122.0 . . ?
B12 B9 B10 59.96(12) . . ?
B4 B10 B9 59.27(13) . . ?
B4 B10 H10 122.2 . . ?
B4 B10 B11 107.68(16) . . ?
B4 B10 B12 107.11(15) . . ?
B5 B10 B4 60.07(13) . . ?
B5 B10 B9 107.57(16) . . ?
B5 B10 H10 121.9 . . ?
B5 B10 B11 59.78(12) . . ?
B5 B10 B12 107.56(16) . . ?
B9 B10 H10 121.9 . . ?
B11 B10 B9 108.02(15) . . ?
B11 B10 H10 121.7 . . ?
B11 B10 B12 60.06(12) . . ?
B12 B10 B9 59.96(12) . . ?
B12 B10 H10 122.0 . . ?
B5 B11 B6 60.09(13) . . ?
B5 B11 B7 107.84(15) . . ?
B5 B11 B10 59.76(13) . . ?
B5 B11 H11 121.9 . . ?
B5 B11 B12 107.59(15) . . ?
B6 B11 B7 59.54(12) . . ?
B6 B11 B10 107.82(15) . . ?
B6 B11 H11 122.1 . . ?
B6 B11 B12 107.32(15) . . ?
B7 B11 H11 121.7 . . ?
B10 B11 B7 108.27(15) . . ?
B10 B11 H11 121.6 . . ?
B10 B11 B12 60.12(12) . . ?
B12 B11 B7 60.01(12) . . ?
B12 B11 H11 122.0 . . ?
C2 B12 B7 120.63(17) . . ?
C2 B12 B8 119.39(17) . . ?
C2 B12 B9 121.20(17) . . ?
C2 B12 B10 123.55(17) . . ?
C2 B12 B11 123.36(17) . . ?
B8 B12 B7 60.06(12) . . ?
B8 B12 B9 60.18(12) . . ?
B8 B12 B10 108.27(15) . . ?
B8 B12 B11 108.12(15) . . ?
B9 B12 B7 108.21(15) . . ?
B9 B12 B10 60.08(12) . . ?
B10 B12 B7 108.13(15) . . ?
B11 B12 B7 60.13(12) . . ?
B11 B12 B9 107.93(15) . . ?
B11 B12 B10 59.83(12) . . ?
C7A N1A C6A 116.07(18) . . ?
B2A C1A H1A 117.6 . . ?
B2A C1A B3A 63.01(13) . . ?
B2A C1A B5A 114.96(16) . . ?
B3A C1A H1A 117.4 . . ?
B3A C1A B5A 115.24(15) . . ?
B4A C1A H1A 117.3 . . ?
B4A C1A B2A 115.21(15) . . ?
B4A C1A B3A 62.87(13) . . ?
B4A C1A B5A 63.09(13) . . ?
B4A C1A B6A 115.26(16) . . ?
B5A C1A H1A 117.4 . . ?
B6A C1A H1A 117.6 . . ?
B6A C1A B2A 62.64(13) . . ?
B6A C1A B3A 115.07(16) . . ?
B6A C1A B5A 62.85(13) . . ?
C3A C2A B12A 177.4(2) . . ?
C2A C3A C4A 177.7(2) . . ?
C5A C4A C3A 122.1(2) . . ?
C5A C4A C8A 117.05(18) . . ?
C8A C4A C3A 120.8(2) . . ?
C4A C5A H5AA 120.5 . . ?
C6A C5A C4A 119.0(2) . . ?
C6A C5A H5AA 120.5 . . ?
N1A C6A C5A 124.3(2) . . ?
N1A C6A H6AA 117.9 . . ?
C5A C6A H6AA 117.9 . . ?
N1A C7A H7AA 117.9 . . ?
N1A C7A C8A 124.2(2) . . ?
C8A C7A H7AA 117.9 . . ?
C4A C8A H8AA 120.3 . . ?
C7A C8A C4A 119.3(2) . . ?
C7A C8A H8AA 120.3 . . ?
C1A B2A H2A 125.0 . . ?
C1A B2A B3A 58.50(12) . . ?
C1A B2A B6A 58.66(13) . . ?
C1A B2A B7A 104.80(15) . . ?
C1A B2A B8A 104.54(15) . . ?
B3A B2A H2A 121.4 . . ?
B6A B2A H2A 121.4 . . ?
B6A B2A B3A 108.07(16) . . ?
B7A B2A H2A 121.9 . . ?
B7A B2A B3A 108.62(16) . . ?
B7A B2A B6A 60.02(13) . . ?
B8A B2A H2A 122.1 . . ?
B8A B2A B3A 59.96(13) . . ?
B8A B2A B6A 108.46(16) . . ?
B8A B2A B7A 60.72(13) . . ?
C1A B3A B2A 58.49(13) . . ?
C1A B3A H3A 125.2 . . ?
C1A B3A B4A 58.51(13) . . ?
C1A B3A B8A 104.30(16) . . ?
C1A B3A B9A 104.51(16) . . ?
B2A B3A H3A 121.6 . . ?
B4A B3A B2A 107.89(17) . . ?
B4A B3A H3A 121.4 . . ?
B8A B3A B2A 59.65(13) . . ?
B8A B3A H3A 122.2 . . ?
B8A B3A B4A 108.45(16) . . ?
B8A B3A B9A 60.74(13) . . ?
B9A B3A B2A 108.27(16) . . ?
B9A B3A H3A 122.0 . . ?
B9A B3A B4A 60.00(13) . . ?
C1A B4A B3A 58.62(12) . . ?
C1A B4A H4A 125.1 . . ?
C1A B4A B5A 58.52(13) . . ?
C1A B4A B9A 104.54(16) . . ?
C1A B4A B10A 104.21(16) . . ?
B3A B4A H4A 121.4 . . ?
B3A B4A B5A 107.99(16) . . ?
B3A B4A B10A 108.29(16) . . ?
B5A B4A H4A 121.6 . . ?
B9A B4A B3A 59.93(13) . . ?
B9A B4A H4A 122.1 . . ?
B9A B4A B5A 108.25(17) . . ?
B9A B4A B10A 60.66(13) . . ?
B10A B4A H4A 122.3 . . ?
B10A B4A B5A 59.60(13) . . ?
C1A B5A B4A 58.39(13) . . ?
C1A B5A H5AB 125.1 . . ?
C1A B5A B6A 58.54(12) . . ?
C1A B5A B10A 104.57(16) . . ?
C1A B5A B11A 104.67(16) . . ?
B4A B5A H5AB 121.4 . . ?
B6A B5A B4A 107.84(16) . . ?
B6A B5A H5AB 121.5 . . ?
B6A B5A B11A 60.04(13) . . ?
B10A B5A B4A 60.19(13) . . ?
B10A B5A H5AB 122.2 . . ?
B10A B5A B6A 108.20(16) . . ?
B10A B5A B11A 60.38(13) . . ?
B11A B5A B4A 108.46(16) . . ?
B11A B5A H5AB 122.1 . . ?
C1A B6A B2A 58.70(13) . . ?
C1A B6A B5A 58.61(13) . . ?
C1A B6A H6AB 125.0 . . ?
C1A B6A B7A 104.73(16) . . ?
C1A B6A B11A 104.78(15) . . ?
B2A B6A B5A 108.21(16) . . ?
B2A B6A H6AB 121.4 . . ?
B2A B6A B11A 108.53(16) . . ?
B5A B6A H6AB 121.3 . . ?
B5A B6A B11A 60.11(13) . . ?
B7A B6A B2A 59.90(13) . . ?
B7A B6A B5A 108.67(15) . . ?
B7A B6A H6AB 122.0 . . ?
B7A B6A B11A 60.72(12) . . ?
B11A B6A H6AB 122.0 . . ?
B2A B7A B6A 60.08(13) . . ?
B2A B7A H7AB 121.9 . . ?
B2A B7A B8A 59.64(13) . . ?
B2A B7A B11A 108.04(16) . . ?
B2A B7A B12A 107.41(16) . . ?
B6A B7A H7AB 121.9 . . ?
B6A B7A B8A 107.65(16) . . ?
B6A B7A B11A 59.92(12) . . ?
B6A B7A B12A 107.56(15) . . ?
B8A B7A H7AB 122.0 . . ?
B8A B7A B11A 107.95(16) . . ?
B8A B7A B12A 59.77(13) . . ?
B11A B7A H7AB 121.6 . . ?
B12A B7A H7AB 122.1 . . ?
B12A B7A B11A 60.02(12) . . ?
B2A B8A B3A 60.39(13) . . ?
B2A B8A B7A 59.64(13) . . ?
B2A B8A H8AB 121.8 . . ?
B2A B8A B9A 107.99(15) . . ?
B2A B8A B12A 107.81(16) . . ?
B3A B8A B7A 108.12(16) . . ?
B3A B8A H8AB 121.7 . . ?
B3A B8A B9A 59.65(13) . . ?
B3A B8A B12A 107.77(16) . . ?
B7A B8A H8AB 121.6 . . ?
B7A B8A B9A 108.27(16) . . ?
B9A B8A H8AB 121.7 . . ?
B12A B8A B7A 60.27(13) . . ?
B12A B8A H8AB 121.8 . . ?
B12A B8A B9A 60.03(13) . . ?
B3A B9A B4A 60.06(13) . . ?
B3A B9A B8A 59.60(13) . . ?
B3A B9A H9A 122.0 . . ?
B3A B9A B10A 107.75(16) . . ?
B3A B9A B12A 107.47(16) . . ?
B4A B9A B8A 107.59(16) . . ?
B4A B9A H9A 121.8 . . ?
B4A B9A B10A 59.85(13) . . ?
B4A B9A B12A 107.77(16) . . ?
B8A B9A H9A 122.1 . . ?
B8A B9A B10A 107.59(16) . . ?
B10A B9A H9A 121.8 . . ?
B12A B9A B8A 59.70(13) . . ?
B12A B9A H9A 121.9 . . ?
B12A B9A B10A 60.01(13) . . ?
B4A B10A B9A 59.49(13) . . ?
B4A B10A H10A 121.9 . . ?
B4A B10A B11A 108.24(15) . . ?
B4A B10A B12A 107.31(16) . . ?
B5A B10A B4A 60.20(13) . . ?
B5A B10A B9A 107.80(16) . . ?
B5A B10A H10A 121.7 . . ?
B5A B10A B11A 60.09(13) . . ?
B5A B10A B12A 107.78(15) . . ?
B9A B10A H10A 121.9 . . ?
B11A B10A B9A 108.20(16) . . ?
B11A B10A H10A 121.4 . . ?
B11A B10A B12A 60.15(12) . . ?
B12A B10A B9A 59.79(13) . . ?
B12A B10A H10A 122.0 . . ?
B5A B11A B7A 107.39(16) . . ?
B5A B11A B10A 59.53(13) . . ?
B5A B11A H11A 122.2 . . ?
B5A B11A B12A 107.31(16) . . ?
B6A B11A B5A 59.85(13) . . ?
B6A B11A B7A 59.36(12) . . ?
B6A B11A B10A 107.39(16) . . ?
B6A B11A H11A 122.3 . . ?
B6A B11A B12A 107.07(16) . . ?
B7A B11A H11A 121.9 . . ?
B10A B11A B7A 107.99(16) . . ?
B10A B11A H11A 121.8 . . ?
B10A B11A B12A 60.11(13) . . ?
B12A B11A B7A 59.94(12) . . ?
B12A B11A H11A 122.1 . . ?
C2A B12A B7A 121.02(18) . . ?
C2A B12A B8A 120.18(17) . . ?
C2A B12A B9A 121.31(17) . . ?
C2A B12A B10A 123.12(18) . . ?
C2A B12A B11A 122.62(17) . . ?
B7A B12A B10A 107.78(15) . . ?
B7A B12A B11A 60.04(12) . . ?
B8A B12A B7A 59.97(13) . . ?
B8A B12A B9A 60.27(13) . . ?
B8A B12A B10A 108.18(15) . . ?
B8A B12A B11A 108.14(15) . . ?
B9A B12A B7A 108.23(15) . . ?
B9A B12A B10A 60.19(13) . . ?
B9A B12A B11A 108.20(15) . . ?
B10A B12A B11A 59.74(12) . . ?
C9 N2 C13 106.73(15) . . ?
C9 N2 C15 110.71(15) . . ?
C11 N2 C9 110.96(14) . . ?
C11 N2 C13 110.69(15) . . ?
C11 N2 C15 107.32(14) . . ?
C15 N2 C13 110.47(14) . . ?
N2 C9 H9B 108.6 . . ?
N2 C9 H9C 108.6 . . ?
H9B C9 H9C 107.5 . . ?
C10 C9 N2 114.81(17) . . ?
C10 C9 H9B 108.6 . . ?
C10 C9 H9C 108.6 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
C9 C10 H10D 109.5 . . ?
H10B C10 H10C 109.5 . . ?
H10B C10 H10D 109.5 . . ?
H10C C10 H10D 109.5 . . ?
N2 C11 H11B 108.5 . . ?
N2 C11 H11C 108.5 . . ?
N2 C11 C12 114.94(16) . . ?
H11B C11 H11C 107.5 . . ?
C12 C11 H11B 108.5 . . ?
C12 C11 H11C 108.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N2 C13 H13A 108.5 . . ?
N2 C13 H13B 108.5 . . ?
H13A C13 H13B 107.5 . . ?
C14 C13 N2 115.03(18) . . ?
C14 C13 H13A 108.5 . . ?
C14 C13 H13B 108.5 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N2 C15 H15A 108.6 . . ?
N2 C15 H15B 108.6 . . ?
H15A C15 H15B 107.6 . . ?
C16 C15 N2 114.70(16) . . ?
C16 C15 H15A 108.6 . . ?
C16 C15 H15B 108.6 . . ?
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 . . ?
C11A N2A C9A 111.64(15) . . ?
C11A N2A C13A 111.41(15) . . ?
C11A N2A C15A 106.68(16) . . ?
C13A N2A C9A 106.27(14) . . ?
C13A N2A C15A 110.49(16) . . ?
C15A N2A C9A 110.41(15) . . ?
N2A C9A H9AA 108.3 . . ?
N2A C9A H9AB 108.3 . . ?
H9AA C9A H9AB 107.4 . . ?
C10A C9A N2A 116.09(17) . . ?
C10A C9A H9AA 108.3 . . ?
C10A C9A H9AB 108.3 . . ?
C9A C10A H10E 109.5 . . ?
C9A C10A H10F 109.5 . . ?
C9A C10A H10G 109.5 . . ?
H10E C10A H10F 109.5 . . ?
H10E C10A H10G 109.5 . . ?
H10F C10A H10G 109.5 . . ?
N2A C11A H11D 108.3 . . ?
N2A C11A H11E 108.3 . . ?
H11D C11A H11E 107.4 . . ?
C12A C11A N2A 116.1(2) . . ?
C12A C11A H11D 108.3 . . ?
C12A C11A H11E 108.3 . . ?
C11A C12A H12D 109.5 . . ?
C11A C12A H12E 109.5 . . ?
C11A C12A H12F 109.5 . . ?
H12D C12A H12E 109.5 . . ?
H12D C12A H12F 109.5 . . ?
H12E C12A H12F 109.5 . . ?
N2A C13A H13C 108.6 . . ?
N2A C13A H13D 108.6 . . ?
N2A C13A C14A 114.80(17) . . ?
H13C C13A H13D 107.5 . . ?
C14A C13A H13C 108.6 . . ?
C14A C13A H13D 108.6 . . ?
C13A C14A H14D 109.5 . . ?
C13A C14A H14E 109.5 . . ?
C13A C14A H14F 109.5 . . ?
H14D C14A H14E 109.5 . . ?
H14D C14A H14F 109.5 . . ?
H14E C14A H14F 109.5 . . ?
N2A C15A H15C 108.7 . . ?
N2A C15A H15D 108.7 . . ?
N2A C15A C16A 114.2(2) . . ?
H15C C15A H15D 107.6 . . ?
C16A C15A H15C 108.7 . . ?
C16A C15A H15D 108.7 . . ?
C15A C16A H16D 109.5 . . ?
C15A C16A H16E 109.5 . . ?
C15A C16A H16F 109.5 . . ?
H16D C16A H16E 109.5 . . ?
H16D C16A H16F 109.5 . . ?
H16E C16A H16F 109.5 . . ?
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
N1 C6 1.332(3) . ?
N1 C7 1.332(3) . ?
C1 H1 1.1200 . ?
C1 B2 1.700(3) . ?
C1 B3 1.701(3) . ?
C1 B4 1.699(3) . ?
C1 B5 1.702(3) . ?
C1 B6 1.696(3) . ?
C2 C3 1.205(3) . ?
C2 B12 1.548(3) . ?
C3 C4 1.440(3) . ?
C4 C5 1.390(3) . ?
C4 C8 1.393(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.384(3) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C7 C8 1.385(3) . ?
C8 H8 0.9500 . ?
B2 H2 1.1200 . ?
B2 B3 1.774(3) . ?
B2 B6 1.773(3) . ?
B2 B7 1.774(3) . ?
B2 B8 1.767(3) . ?
B3 H3 1.1200 . ?
B3 B4 1.766(3) . ?
B3 B8 1.769(3) . ?
B3 B9 1.766(3) . ?
B4 H4 1.1200 . ?
B4 B5 1.772(3) . ?
B4 B9 1.761(3) . ?
B4 B10 1.772(3) . ?
B5 H5A 1.1200 . ?
B5 B6 1.773(3) . ?
B5 B10 1.769(3) . ?
B5 B11 1.769(3) . ?
B6 H6A 1.1200 . ?
B6 B7 1.769(3) . ?
B6 B11 1.771(3) . ?
B7 H7A 1.1200 . ?
B7 B8 1.788(3) . ?
B7 B11 1.790(3) . ?
B7 B12 1.788(3) . ?
B8 H8A 1.1200 . ?
B8 B9 1.790(3) . ?
B8 B12 1.784(3) . ?
B9 H9 1.1200 . ?
B9 B10 1.789(3) . ?
B9 B12 1.786(3) . ?
B10 H10 1.1200 . ?
B10 B11 1.781(3) . ?
B10 B12 1.786(3) . ?
B11 H11 1.1200 . ?
B11 B12 1.785(3) . ?
N1A C6A 1.333(3) . ?
N1A C7A 1.332(3) . ?
C1A H1A 1.1200 . ?
C1A B2A 1.700(3) . ?
C1A B3A 1.700(3) . ?
C1A B4A 1.698(3) . ?
C1A B5A 1.700(3) . ?
C1A B6A 1.699(3) . ?
C2A C3A 1.200(3) . ?
C2A B12A 1.552(3) . ?
C3A C4A 1.445(3) . ?
C4A C5A 1.389(3) . ?
C4A C8A 1.390(3) . ?
C5A H5AA 0.9500 . ?
C5A C6A 1.386(3) . ?
C6A H6AA 0.9500 . ?
C7A H7AA 0.9500 . ?
C7A C8A 1.381(3) . ?
C8A H8AA 0.9500 . ?
B2A H2A 1.1200 . ?
B2A B3A 1.777(3) . ?
B2A B6A 1.767(3) . ?
B2A B7A 1.763(3) . ?
B2A B8A 1.763(3) . ?
B3A H3A 1.1200 . ?
B3A B4A 1.772(3) . ?
B3A B8A 1.769(3) . ?
B3A B9A 1.770(3) . ?
B4A H4A 1.1200 . ?
B4A B5A 1.778(3) . ?
B4A B9A 1.771(3) . ?
B4A B10A 1.777(3) . ?
B5A H5AB 1.1200 . ?
B5A B6A 1.772(3) . ?
B5A B10A 1.767(3) . ?
B5A B11A 1.777(3) . ?
B6A H6AB 1.1200 . ?
B6A B7A 1.766(3) . ?
B6A B11A 1.776(3) . ?
B7A H7AB 1.1200 . ?
B7A B8A 1.782(3) . ?
B7A B11A 1.790(3) . ?
B7A B12A 1.788(3) . ?
B8A H8AB 1.1200 . ?
B8A B9A 1.789(3) . ?
B8A B12A 1.779(3) . ?
B9A H9A 1.1200 . ?
B9A B10A 1.792(3) . ?
B9A B12A 1.785(3) . ?
B10A H10A 1.1200 . ?
B10A B11A 1.782(3) . ?
B10A B12A 1.789(3) . ?
B11A H11A 1.1200 . ?
B11A B12A 1.789(3) . ?
N2 C9 1.514(2) . ?
N2 C11 1.512(2) . ?
N2 C13 1.526(2) . ?
N2 C15 1.516(2) . ?
C9 H9B 0.9900 . ?
C9 H9C 0.9900 . ?
C9 C10 1.505(3) . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C10 H10D 0.9800 . ?
C11 H11B 0.9900 . ?
C11 H11C 0.9900 . ?
C11 C12 1.517(3) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.510(3) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.514(3) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
N2A C9A 1.511(2) . ?
N2A C11A 1.508(2) . ?
N2A C13A 1.510(2) . ?
N2A C15A 1.511(2) . ?
C9A H9AA 0.9900 . ?
C9A H9AB 0.9900 . ?
C9A C10A 1.504(3) . ?
C10A H10E 0.9800 . ?
C10A H10F 0.9800 . ?
C10A H10G 0.9800 . ?
C11A H11D 0.9900 . ?
C11A H11E 0.9900 . ?
C11A C12A 1.496(4) . ?
C12A H12D 0.9800 . ?
C12A H12E 0.9800 . ?
C12A H12F 0.9800 . ?
C13A H13C 0.9900 . ?
C13A H13D 0.9900 . ?
C13A C14A 1.516(3) . ?
C14A H14D 0.9800 . ?
C14A H14E 0.9800 . ?
C14A H14F 0.9800 . ?
C15A H15C 0.9900 . ?
C15A H15D 0.9900 . ?
C15A C16A 1.519(4) . ?
C16A H16D 0.9800 . ?
C16A H16E 0.9800 . ?
C16A H16F 0.9800 . ?
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
N1 C7 C8 C4 1.1(3) . . . . ?
C1 B2 B3 B4 32.80(15) . . . . ?
C1 B2 B3 B8 134.03(16) . . . . ?
C1 B2 B3 B9 96.15(17) . . . . ?
C1 B2 B6 B5 -32.81(15) . . . . ?
C1 B2 B6 B7 -134.30(16) . . . . ?
C1 B2 B6 B11 -96.30(17) . . . . ?
C1 B2 B7 B6 39.04(14) . . . . ?
C1 B2 B7 B8 -98.83(16) . . . . ?
C1 B2 B7 B11 1.72(19) . . . . ?
C1 B2 B7 B12 -61.38(18) . . . . ?
C1 B2 B8 B3 -39.36(14) . . . . ?
C1 B2 B8 B7 98.68(16) . . . . ?
C1 B2 B8 B9 -2.3(2) . . . . ?
C1 B2 B8 B12 61.02(19) . . . . ?
C1 B3 B4 B5 32.75(15) . . . . ?
C1 B3 B4 B9 134.17(16) . . . . ?
C1 B3 B4 B10 96.25(17) . . . . ?
C1 B3 B8 B2 39.31(15) . . . . ?
C1 B3 B8 B7 1.9(2) . . . . ?
C1 B3 B8 B9 -98.91(17) . . . . ?
C1 B3 B8 B12 -61.54(19) . . . . ?
C1 B3 B9 B4 -39.28(15) . . . . ?
C1 B3 B9 B8 98.67(16) . . . . ?
C1 B3 B9 B10 -2.0(2) . . . . ?
C1 B3 B9 B12 61.35(19) . . . . ?
C1 B4 B5 B6 32.86(14) . . . . ?
C1 B4 B5 B10 134.24(16) . . . . ?
C1 B4 B5 B11 96.28(17) . . . . ?
C1 B4 B9 B3 39.40(14) . . . . ?
C1 B4 B9 B8 2.1(2) . . . . ?
C1 B4 B9 B10 -98.79(16) . . . . ?
C1 B4 B9 B12 -61.08(19) . . . . ?
C1 B4 B10 B5 -39.27(15) . . . . ?
C1 B4 B10 B9 99.11(17) . . . . ?
C1 B4 B10 B11 -1.7(2) . . . . ?
C1 B4 B10 B12 61.52(18) . . . . ?
C1 B5 B6 B2 32.78(14) . . . . ?
C1 B5 B6 B7 96.49(16) . . . . ?
C1 B5 B6 B11 134.15(16) . . . . ?
C1 B5 B10 B4 39.18(15) . . . . ?
C1 B5 B10 B9 2.4(2) . . . . ?
C1 B5 B10 B11 -98.63(17) . . . . ?
C1 B5 B10 B12 -60.84(19) . . . . ?
C1 B5 B11 B6 -39.15(14) . . . . ?
C1 B5 B11 B7 -2.2(2) . . . . ?
C1 B5 B11 B10 98.93(16) . . . . ?
C1 B5 B11 B12 61.10(19) . . . . ?
C1 B6 B7 B2 -39.23(15) . . . . ?
C1 B6 B7 B8 -1.9(2) . . . . ?
C1 B6 B7 B11 98.79(16) . . . . ?
C1 B6 B7 B12 61.12(19) . . . . ?
C1 B6 B11 B5 39.36(14) . . . . ?
C1 B6 B11 B7 -99.08(16) . . . . ?
C1 B6 B11 B10 2.0(2) . . . . ?
C1 B6 B11 B12 -61.35(18) . . . . ?
C3 C4 C5 C6 176.5(2) . . . . ?
C3 C4 C8 C7 -177.48(18) . . . . ?
C4 C5 C6 N1 1.0(4) . . . . ?
C5 C4 C8 C7 0.6(3) . . . . ?
C6 N1 C7 C8 -1.7(3) . . . . ?
C7 N1 C6 C5 0.6(3) . . . . ?
C8 C4 C5 C6 -1.6(3) . . . . ?
B2 C1 B3 B4 -142.91(16) . . . . ?
B2 C1 B3 B8 -39.94(15) . . . . ?
B2 C1 B3 B9 -103.06(16) . . . . ?
B2 C1 B4 B3 36.25(16) . . . . ?
B2 C1 B4 B5 -106.81(17) . . . . ?
B2 C1 B4 B9 -3.8(2) . . . . ?
B2 C1 B4 B10 -67.0(2) . . . . ?
B2 C1 B5 B4 106.28(18) . . . . ?
B2 C1 B5 B6 -36.34(16) . . . . ?
B2 C1 B5 B10 66.3(2) . . . . ?
B2 C1 B5 B11 3.6(2) . . . . ?
B2 C1 B6 B5 142.97(16) . . . . ?
B2 C1 B6 B7 39.95(15) . . . . ?
B2 C1 B6 B11 103.04(16) . . . . ?
B2 B3 B4 C1 -32.75(14) . . . . ?
B2 B3 B4 B5 0.0(2) . . . . ?
B2 B3 B4 B9 101.42(17) . . . . ?
B2 B3 B4 B10 63.5(2) . . . . ?
B2 B3 B8 B7 -37.44(15) . . . . ?
B2 B3 B8 B9 -138.21(16) . . . . ?
B2 B3 B8 B12 -100.85(16) . . . . ?
B2 B3 B9 B4 -100.52(17) . . . . ?
B2 B3 B9 B8 37.43(15) . . . . ?
B2 B3 B9 B10 -63.2(2) . . . . ?
B2 B3 B9 B12 0.1(2) . . . . ?
B2 B6 B7 B8 37.30(15) . . . . ?
B2 B6 B7 B11 138.02(16) . . . . ?
B2 B6 B7 B12 100.35(16) . . . . ?
B2 B6 B11 B5 100.72(17) . . . . ?
B2 B6 B11 B7 -37.71(15) . . . . ?
B2 B6 B11 B10 63.4(2) . . . . ?
B2 B6 B11 B12 0.0(2) . . . . ?
B2 B7 B8 B3 37.60(15) . . . . ?
B2 B7 B8 B9 100.48(17) . . . . ?
B2 B7 B8 B12 137.83(16) . . . . ?
B2 B7 B11 B5 0.3(2) . . . . ?
B2 B7 B11 B6 37.49(14) . . . . ?
B2 B7 B11 B10 -62.87(18) . . . . ?
B2 B7 B11 B12 -100.09(16) . . . . ?
B2 B7 B12 C2 -145.77(18) . . . . ?
B2 B7 B12 B8 -37.28(15) . . . . ?
B2 B7 B12 B9 0.2(2) . . . . ?
B2 B7 B12 B10 63.79(19) . . . . ?
B2 B7 B12 B11 100.85(16) . . . . ?
B2 B8 B9 B3 -37.40(15) . . . . ?
B2 B8 B9 B4 0.2(2) . . . . ?
B2 B8 B9 B10 63.40(19) . . . . ?
B2 B8 B9 B12 100.65(16) . . . . ?
B2 B8 B12 C2 148.08(18) . . . . ?
B2 B8 B12 B7 37.56(15) . . . . ?
B2 B8 B12 B9 -100.67(17) . . . . ?
B2 B8 B12 B10 -63.28(19) . . . . ?
B2 B8 B12 B11 0.0(2) . . . . ?
B3 C1 B2 B6 142.65(16) . . . . ?
B3 C1 B2 B7 102.92(16) . . . . ?
B3 C1 B2 B8 40.03(15) . . . . ?
B3 C1 B4 B5 -143.06(16) . . . . ?
B3 C1 B4 B9 -40.05(15) . . . . ?
B3 C1 B4 B10 -103.21(16) . . . . ?
B3 C1 B5 B4 36.02(16) . . . . ?
B3 C1 B5 B6 -106.60(18) . . . . ?
B3 C1 B5 B10 -3.9(2) . . . . ?
B3 C1 B5 B11 -66.6(2) . . . . ?
B3 C1 B6 B2 -36.56(16) . . . . ?
B3 C1 B6 B5 106.41(18) . . . . ?
B3 C1 B6 B7 3.4(2) . . . . ?
B3 C1 B6 B11 66.5(2) . . . . ?
B3 B2 B6 C1 32.94(15) . . . . ?
B3 B2 B6 B5 0.1(2) . . . . ?
B3 B2 B6 B7 -101.36(17) . . . . ?
B3 B2 B6 B11 -63.4(2) . . . . ?
B3 B2 B7 B6 100.29(17) . . . . ?
B3 B2 B7 B8 -37.58(15) . . . . ?
B3 B2 B7 B11 62.97(19) . . . . ?
B3 B2 B7 B12 -0.1(2) . . . . ?
B3 B2 B8 B7 138.04(16) . . . . ?
B3 B2 B8 B9 37.07(15) . . . . ?
B3 B2 B8 B12 100.38(17) . . . . ?
B3 B4 B5 C1 -32.78(15) . . . . ?
B3 B4 B5 B6 0.1(2) . . . . ?
B3 B4 B5 B10 101.46(17) . . . . ?
B3 B4 B5 B11 63.5(2) . . . . ?
B3 B4 B9 B8 -37.35(15) . . . . ?
B3 B4 B9 B10 -138.20(16) . . . . ?
B3 B4 B9 B12 -100.48(17) . . . . ?
B3 B4 B10 B5 -100.79(18) . . . . ?
B3 B4 B10 B9 37.59(15) . . . . ?
B3 B4 B10 B11 -63.3(2) . . . . ?
B3 B4 B10 B12 0.0(2) . . . . ?
B3 B8 B9 B4 37.55(15) . . . . ?
B3 B8 B9 B10 100.80(17) . . . . ?
B3 B8 B9 B12 138.04(16) . . . . ?
B3 B8 B12 C2 -148.40(18) . . . . ?
B3 B8 B12 B7 101.08(16) . . . . ?
B3 B8 B12 B9 -37.15(15) . . . . ?
B3 B8 B12 B10 0.2(2) . . . . ?
B3 B8 B12 B11 63.57(19) . . . . ?
B3 B9 B10 B4 -37.42(15) . . . . ?
B3 B9 B10 B5 -0.3(2) . . . . ?
B3 B9 B10 B11 62.85(19) . . . . ?
B3 B9 B10 B12 100.24(17) . . . . ?
B3 B9 B12 C2 145.55(18) . . . . ?
B3 B9 B12 B7 -0.2(2) . . . . ?
B3 B9 B12 B8 37.23(14) . . . . ?
B3 B9 B12 B10 -101.06(16) . . . . ?
B3 B9 B12 B11 -63.79(19) . . . . ?
B4 C1 B2 B3 -36.14(16) . . . . ?
B4 C1 B2 B6 106.51(17) . . . . ?
B4 C1 B2 B7 66.78(19) . . . . ?
B4 C1 B2 B8 3.9(2) . . . . ?
B4 C1 B3 B2 142.91(16) . . . . ?
B4 C1 B3 B8 102.97(17) . . . . ?
B4 C1 B3 B9 39.85(15) . . . . ?
B4 C1 B5 B6 -142.62(16) . . . . ?
B4 C1 B5 B10 -39.94(15) . . . . ?
B4 C1 B5 B11 -102.67(16) . . . . ?
B4 C1 B6 B2 -106.44(18) . . . . ?
B4 C1 B6 B5 36.53(16) . . . . ?
B4 C1 B6 B7 -66.5(2) . . . . ?
B4 C1 B6 B11 -3.4(2) . . . . ?
B4 B3 B8 B2 100.61(17) . . . . ?
B4 B3 B8 B7 63.2(2) . . . . ?
B4 B3 B8 B9 -37.60(15) . . . . ?
B4 B3 B8 B12 -0.2(2) . . . . ?
B4 B3 B9 B8 137.95(16) . . . . ?
B4 B3 B9 B10 37.33(15) . . . . ?
B4 B3 B9 B12 100.63(16) . . . . ?
B4 B5 B6 C1 -32.91(14) . . . . ?
B4 B5 B6 B2 -0.1(2) . . . . ?
B4 B5 B6 B7 63.59(19) . . . . ?
B4 B5 B6 B11 101.25(16) . . . . ?
B4 B5 B10 B9 -36.79(15) . . . . ?
B4 B5 B10 B11 -137.81(16) . . . . ?
B4 B5 B10 B12 -100.01(16) . . . . ?
B4 B5 B11 B6 -100.30(17) . . . . ?
B4 B5 B11 B7 -63.4(2) . . . . ?
B4 B5 B11 B10 37.79(15) . . . . ?
B4 B5 B11 B12 0.0(2) . . . . ?
B4 B9 B10 B5 37.14(15) . . . . ?
B4 B9 B10 B11 100.27(17) . . . . ?
B4 B9 B10 B12 137.66(17) . . . . ?
B4 B9 B12 C2 -151.08(18) . . . . ?
B4 B9 B12 B7 63.19(19) . . . . ?
B4 B9 B12 B8 100.61(17) . . . . ?
B4 B9 B12 B10 -37.69(15) . . . . ?
B4 B9 B12 B11 -0.4(2) . . . . ?
B4 B10 B11 B5 -37.66(15) . . . . ?
B4 B10 B11 B6 -0.2(2) . . . . ?
B4 B10 B11 B7 62.77(18) . . . . ?
B4 B10 B11 B12 99.95(16) . . . . ?
B4 B10 B12 C2 146.89(19) . . . . ?
B4 B10 B12 B7 -63.73(19) . . . . ?
B4 B10 B12 B8 -0.1(2) . . . . ?
B4 B10 B12 B9 37.28(15) . . . . ?
B4 B10 B12 B11 -100.92(16) . . . . ?
B5 C1 B2 B3 -106.33(18) . . . . ?
B5 C1 B2 B6 36.32(16) . . . . ?
B5 C1 B2 B7 -3.4(2) . . . . ?
B5 C1 B2 B8 -66.3(2) . . . . ?
B5 C1 B3 B2 106.81(18) . . . . ?
B5 C1 B3 B4 -36.10(16) . . . . ?
B5 C1 B3 B8 66.9(2) . . . . ?
B5 C1 B3 B9 3.8(2) . . . . ?
B5 C1 B4 B3 143.06(16) . . . . ?
B5 C1 B4 B9 103.01(16) . . . . ?
B5 C1 B4 B10 39.84(14) . . . . ?
B5 C1 B6 B2 -142.97(16) . . . . ?
B5 C1 B6 B7 -103.02(16) . . . . ?
B5 C1 B6 B11 -39.93(14) . . . . ?
B5 B4 B9 B3 100.88(18) . . . . ?
B5 B4 B9 B8 63.5(2) . . . . ?
B5 B4 B9 B10 -37.32(15) . . . . ?
B5 B4 B9 B12 0.4(2) . . . . ?
B5 B4 B10 B9 138.38(17) . . . . ?
B5 B4 B10 B11 37.53(15) . . . . ?
B5 B4 B10 B12 100.78(17) . . . . ?
B5 B6 B7 B2 -100.74(17) . . . . ?
B5 B6 B7 B8 -63.45(19) . . . . ?
B5 B6 B7 B11 37.28(14) . . . . ?
B5 B6 B7 B12 -0.4(2) . . . . ?
B5 B6 B11 B7 -138.44(16) . . . . ?
B5 B6 B11 B10 -37.32(14) . . . . ?
B5 B6 B11 B12 -100.71(16) . . . . ?
B5 B10 B11 B6 37.47(15) . . . . ?
B5 B10 B11 B7 100.43(16) . . . . ?
B5 B10 B11 B12 137.60(16) . . . . ?
B5 B10 B12 C2 -149.86(19) . . . . ?
B5 B10 B12 B7 -0.5(2) . . . . ?
B5 B10 B12 B8 63.10(18) . . . . ?
B5 B10 B12 B9 100.53(16) . . . . ?
B5 B10 B12 B11 -37.67(14) . . . . ?
B5 B11 B12 C2 150.17(18) . . . . ?
B5 B11 B12 B7 -100.84(16) . . . . ?
B5 B11 B12 B8 -63.36(19) . . . . ?
B5 B11 B12 B9 0.3(2) . . . . ?
B5 B11 B12 B10 37.67(15) . . . . ?
B6 C1 B2 B3 -142.65(16) . . . . ?
B6 C1 B2 B7 -39.73(14) . . . . ?
B6 C1 B2 B8 -102.63(16) . . . . ?
B6 C1 B3 B2 36.59(16) . . . . ?
B6 C1 B3 B4 -106.33(18) . . . . ?
B6 C1 B3 B8 -3.4(2) . . . . ?
B6 C1 B3 B9 -66.5(2) . . . . ?
B6 C1 B4 B3 106.50(18) . . . . ?
B6 C1 B4 B5 -36.56(16) . . . . ?
B6 C1 B4 B9 66.4(2) . . . . ?
B6 C1 B4 B10 3.3(2) . . . . ?
B6 C1 B5 B4 142.62(16) . . . . ?
B6 C1 B5 B10 102.68(16) . . . . ?
B6 C1 B5 B11 39.95(14) . . . . ?
B6 B2 B3 C1 -32.87(14) . . . . ?
B6 B2 B3 B4 -0.1(2) . . . . ?
B6 B2 B3 B8 101.16(17) . . . . ?
B6 B2 B3 B9 63.28(19) . . . . ?
B6 B2 B7 B8 -137.87(17) . . . . ?
B6 B2 B7 B11 -37.32(15) . . . . ?
B6 B2 B7 B12 -100.42(17) . . . . ?
B6 B2 B8 B3 -100.42(18) . . . . ?
B6 B2 B8 B7 37.62(15) . . . . ?
B6 B2 B8 B9 -63.3(2) . . . . ?
B6 B2 B8 B12 0.0(2) . . . . ?
B6 B5 B10 B4 100.25(17) . . . . ?
B6 B5 B10 B9 63.46(19) . . . . ?
B6 B5 B10 B11 -37.56(14) . . . . ?
B6 B5 B10 B12 0.2(2) . . . . ?
B6 B5 B11 B7 36.92(14) . . . . ?
B6 B5 B11 B10 138.08(16) . . . . ?
B6 B5 B11 B12 100.25(16) . . . . ?
B6 B7 B8 B2 -37.56(15) . . . . ?
B6 B7 B8 B3 0.0(2) . . . . ?
B6 B7 B8 B9 62.92(19) . . . . ?
B6 B7 B8 B12 100.27(17) . . . . ?
B6 B7 B11 B5 -37.17(15) . . . . ?
B6 B7 B11 B10 -100.36(16) . . . . ?
B6 B7 B11 B12 -137.58(16) . . . . ?
B6 B7 B12 C2 150.98(18) . . . . ?
B6 B7 B12 B8 -100.53(16) . . . . ?
B6 B7 B12 B9 -63.05(19) . . . . ?
B6 B7 B12 B10 0.5(2) . . . . ?
B6 B7 B12 B11 37.60(14) . . . . ?
B6 B11 B12 C2 -146.51(18) . . . . ?
B6 B11 B12 B7 -37.52(14) . . . . ?
B6 B11 B12 B8 0.0(2) . . . . ?
B6 B11 B12 B9 63.60(19) . . . . ?
B6 B11 B12 B10 100.98(17) . . . . ?
B7 B2 B3 C1 -96.14(17) . . . . ?
B7 B2 B3 B4 -63.3(2) . . . . ?
B7 B2 B3 B8 37.89(15) . . . . ?
B7 B2 B3 B9 0.0(2) . . . . ?
B7 B2 B6 C1 134.30(16) . . . . ?
B7 B2 B6 B5 101.49(17) . . . . ?
B7 B2 B6 B11 38.00(15) . . . . ?
B7 B2 B8 B3 -138.04(16) . . . . ?
B7 B2 B8 B9 -100.97(17) . . . . ?
B7 B2 B8 B12 -37.66(15) . . . . ?
B7 B6 B11 B5 138.44(16) . . . . ?
B7 B6 B11 B10 101.12(16) . . . . ?
B7 B6 B11 B12 37.73(14) . . . . ?
B7 B8 B9 B3 -100.65(16) . . . . ?
B7 B8 B9 B4 -63.10(19) . . . . ?
B7 B8 B9 B10 0.1(2) . . . . ?
B7 B8 B9 B12 37.39(14) . . . . ?
B7 B8 B12 C2 110.5(2) . . . . ?
B7 B8 B12 B9 -138.23(16) . . . . ?
B7 B8 B12 B10 -100.84(16) . . . . ?
B7 B8 B12 B11 -37.51(14) . . . . ?
B7 B11 B12 C2 -109.0(2) . . . . ?
B7 B11 B12 B8 37.48(14) . . . . ?
B7 B11 B12 B9 101.13(16) . . . . ?
B7 B11 B12 B10 138.51(16) . . . . ?
B8 B2 B3 C1 -134.03(16) . . . . ?
B8 B2 B3 B4 -101.24(17) . . . . ?
B8 B2 B3 B9 -37.88(15) . . . . ?
B8 B2 B6 C1 96.31(17) . . . . ?
B8 B2 B6 B5 63.5(2) . . . . ?
B8 B2 B6 B7 -37.99(15) . . . . ?
B8 B2 B6 B11 0.0(2) . . . . ?
B8 B2 B7 B6 137.87(17) . . . . ?
B8 B2 B7 B11 100.55(16) . . . . ?
B8 B2 B7 B12 37.45(15) . . . . ?
B8 B3 B4 C1 -96.10(16) . . . . ?
B8 B3 B4 B5 -63.4(2) . . . . ?
B8 B3 B4 B9 38.07(15) . . . . ?
B8 B3 B4 B10 0.2(2) . . . . ?
B8 B3 B9 B4 -137.95(16) . . . . ?
B8 B3 B9 B10 -100.62(16) . . . . ?
B8 B3 B9 B12 -37.32(14) . . . . ?
B8 B7 B11 B5 63.11(18) . . . . ?
B8 B7 B11 B6 100.27(16) . . . . ?
B8 B7 B11 B10 -0.08(19) . . . . ?
B8 B7 B11 B12 -37.31(14) . . . . ?
B8 B7 B12 C2 -108.5(2) . . . . ?
B8 B7 B12 B9 37.48(14) . . . . ?
B8 B7 B12 B10 101.07(16) . . . . ?
B8 B7 B12 B11 138.13(16) . . . . ?
B8 B9 B10 B4 -100.47(17) . . . . ?
B8 B9 B10 B5 -63.32(19) . . . . ?
B8 B9 B10 B11 -0.2(2) . . . . ?
B8 B9 B10 B12 37.19(15) . . . . ?
B8 B9 B12 C2 108.3(2) . . . . ?
B8 B9 B12 B7 -37.42(14) . . . . ?
B8 B9 B12 B10 -138.30(16) . . . . ?
B8 B9 B12 B11 -101.03(16) . . . . ?
B9 B3 B4 C1 -134.17(16) . . . . ?
B9 B3 B4 B5 -101.42(17) . . . . ?
B9 B3 B4 B10 -37.92(15) . . . . ?
B9 B3 B8 B2 138.21(16) . . . . ?
B9 B3 B8 B7 100.77(16) . . . . ?
B9 B3 B8 B12 37.36(14) . . . . ?
B9 B4 B5 C1 -96.50(17) . . . . ?
B9 B4 B5 B6 -63.6(2) . . . . ?
B9 B4 B5 B10 37.74(16) . . . . ?
B9 B4 B5 B11 -0.2(2) . . . . ?
B9 B4 B10 B5 -138.38(17) . . . . ?
B9 B4 B10 B11 -100.85(16) . . . . ?
B9 B4 B10 B12 -37.59(15) . . . . ?
B9 B8 B12 C2 -111.3(2) . . . . ?
B9 B8 B12 B7 138.23(16) . . . . ?
B9 B8 B12 B10 37.39(14) . . . . ?
B9 B8 B12 B11 100.71(16) . . . . ?
B9 B10 B11 B5 -100.25(17) . . . . ?
B9 B10 B11 B6 -62.78(19) . . . . ?
B9 B10 B11 B7 0.2(2) . . . . ?
B9 B10 B11 B12 37.35(14) . . . . ?
B9 B10 B12 C2 109.6(2) . . . . ?
B9 B10 B12 B7 -101.01(16) . . . . ?
B9 B10 B12 B8 -37.43(15) . . . . ?
B9 B10 B12 B11 -138.21(16) . . . . ?
B10 B4 B5 C1 -134.24(16) . . . . ?
B10 B4 B5 B6 -101.38(17) . . . . ?
B10 B4 B5 B11 -37.96(15) . . . . ?
B10 B4 B9 B3 138.20(16) . . . . ?
B10 B4 B9 B8 100.85(17) . . . . ?
B10 B4 B9 B12 37.72(15) . . . . ?
B10 B5 B6 C1 -96.40(16) . . . . ?
B10 B5 B6 B2 -63.62(19) . . . . ?
B10 B5 B6 B7 0.1(2) . . . . ?
B10 B5 B6 B11 37.75(14) . . . . ?
B10 B5 B11 B6 -138.08(16) . . . . ?
B10 B5 B11 B7 -101.16(16) . . . . ?
B10 B5 B11 B12 -37.83(15) . . . . ?
B10 B9 B12 C2 -113.4(2) . . . . ?
B10 B9 B12 B7 100.88(16) . . . . ?
B10 B9 B12 B8 138.30(16) . . . . ?
B10 B9 B12 B11 37.27(15) . . . . ?
B10 B11 B12 C2 112.5(2) . . . . ?
B10 B11 B12 B7 -138.51(16) . . . . ?
B10 B11 B12 B8 -101.03(16) . . . . ?
B10 B11 B12 B9 -37.38(14) . . . . ?
B11 B5 B6 C1 -134.15(16) . . . . ?
B11 B5 B6 B2 -101.37(16) . . . . ?
B11 B5 B6 B7 -37.66(14) . . . . ?
B11 B5 B10 B4 137.81(16) . . . . ?
B11 B5 B10 B9 101.02(16) . . . . ?
B11 B5 B10 B12 37.80(14) . . . . ?
B11 B6 B7 B2 -138.02(16) . . . . ?
B11 B6 B7 B8 -100.73(16) . . . . ?
B11 B6 B7 B12 -37.67(14) . . . . ?
B11 B7 B8 B2 -100.52(16) . . . . ?
B11 B7 B8 B3 -62.93(19) . . . . ?
B11 B7 B8 B9 0.0(2) . . . . ?
B11 B7 B8 B12 37.30(14) . . . . ?
B11 B7 B12 C2 113.4(2) . . . . ?
B11 B7 B12 B8 -138.13(16) . . . . ?
B11 B7 B12 B9 -100.65(16) . . . . ?
B11 B7 B12 B10 -37.06(14) . . . . ?
B11 B10 B12 C2 -112.2(2) . . . . ?
B11 B10 B12 B7 37.19(14) . . . . ?
B11 B10 B12 B8 100.77(16) . . . . ?
B11 B10 B12 B9 138.21(16) . . . . ?
B12 B7 B8 B2 -137.83(16) . . . . ?
B12 B7 B8 B3 -100.23(17) . . . . ?
B12 B7 B8 B9 -37.35(14) . . . . ?
B12 B7 B11 B5 100.41(16) . . . . ?
B12 B7 B11 B6 137.58(16) . . . . ?
B12 B7 B11 B10 37.22(14) . . . . ?
B12 B8 B9 B3 -138.04(16) . . . . ?
B12 B8 B9 B4 -100.49(16) . . . . ?
B12 B8 B9 B10 -37.24(14) . . . . ?
B12 B9 B10 B4 -137.66(17) . . . . ?
B12 B9 B10 B5 -100.52(17) . . . . ?
B12 B9 B10 B11 -37.39(14) . . . . ?
B12 B10 B11 B5 -137.60(16) . . . . ?
B12 B10 B11 B6 -100.13(16) . . . . ?
B12 B10 B11 B7 -37.17(14) . . . . ?
N1A C7A C8A C4A -0.8(4) . . . . ?
C1A B2A B3A B4A 32.67(15) . . . . ?
C1A B2A B3A B8A 134.00(17) . . . . ?
C1A B2A B3A B9A 96.14(17) . . . . ?
C1A B2A B6A B5A -32.68(15) . . . . ?
C1A B2A B6A B7A -134.14(16) . . . . ?
C1A B2A B6A B11A -96.38(17) . . . . ?
C1A B2A B7A B6A 39.34(14) . . . . ?
C1A B2A B7A B8A -98.60(16) . . . . ?
C1A B2A B7A B11A 2.1(2) . . . . ?
C1A B2A B7A B12A -61.28(19) . . . . ?
C1A B2A B8A B3A -39.32(15) . . . . ?
C1A B2A B8A B7A 99.04(17) . . . . ?
C1A B2A B8A B9A -2.0(2) . . . . ?
C1A B2A B8A B12A 61.4(2) . . . . ?
C1A B3A B4A B5A 32.75(15) . . . . ?
C1A B3A B4A B9A 133.85(17) . . . . ?
C1A B3A B4A B10A 95.81(17) . . . . ?
C1A B3A B8A B2A 39.27(14) . . . . ?
C1A B3A B8A B7A 2.2(2) . . . . ?
C1A B3A B8A B9A -98.83(17) . . . . ?
C1A B3A B8A B12A -61.54(19) . . . . ?
C1A B3A B9A B4A -39.43(15) . . . . ?
C1A B3A B9A B8A 98.48(17) . . . . ?
C1A B3A B9A B10A -1.9(2) . . . . ?
C1A B3A B9A B12A 61.40(19) . . . . ?
C1A B4A B5A B6A 32.68(15) . . . . ?
C1A B4A B5A B10A 133.86(16) . . . . ?
C1A B4A B5A B11A 96.21(17) . . . . ?
C1A B4A B9A B3A 39.50(15) . . . . ?
C1A B4A B9A B8A 2.2(2) . . . . ?
C1A B4A B9A B10A -98.34(17) . . . . ?
C1A B4A B9A B12A -60.8(2) . . . . ?
C1A B4A B10A B5A -39.37(14) . . . . ?
C1A B4A B10A B9A 98.90(17) . . . . ?
C1A B4A B10A B11A -1.9(2) . . . . ?
C1A B4A B10A B12A 61.59(19) . . . . ?
C1A B5A B6A B2A 32.71(15) . . . . ?
C1A B5A B6A B7A 96.22(17) . . . . ?
C1A B5A B6A B11A 134.06(16) . . . . ?
C1A B5A B10A B4A 39.38(15) . . . . ?
C1A B5A B10A B9A 2.4(2) . . . . ?
C1A B5A B10A B11A -98.82(16) . . . . ?
C1A B5A B10A B12A -60.8(2) . . . . ?
C1A B5A B11A B6A -39.32(14) . . . . ?
C1A B5A B11A B7A -2.4(2) . . . . ?
C1A B5A B11A B10A 98.64(17) . . . . ?
C1A B5A B11A B12A 60.73(18) . . . . ?
C1A B6A B7A B2A -39.35(14) . . . . ?
C1A B6A B7A B8A -2.0(2) . . . . ?
C1A B6A B7A B11A 98.92(16) . . . . ?
C1A B6A B7A B12A 61.02(19) . . . . ?
C1A B6A B11A B5A 39.37(15) . . . . ?
C1A B6A B11A B7A -98.83(17) . . . . ?
C1A B6A B11A B10A 2.2(2) . . . . ?
C1A B6A B11A B12A -61.09(19) . . . . ?
C3A C4A C5A C6A 177.26(19) . . . . ?
C3A C4A C8A C7A -176.8(2) . . . . ?
C4A C5A C6A N1A -0.3(3) . . . . ?
C5A C4A C8A C7A 1.7(3) . . . . ?
C6A N1A C7A C8A -0.7(3) . . . . ?
C7A N1A C6A C5A 1.3(3) . . . . ?
C8A C4A C5A C6A -1.2(3) . . . . ?
B2A C1A B3A B4A -142.95(17) . . . . ?
B2A C1A B3A B8A -39.84(15) . . . . ?
B2A C1A B3A B9A -102.78(17) . . . . ?
B2A C1A B4A B3A 36.40(17) . . . . ?
B2A C1A B4A B5A -106.50(19) . . . . ?
B2A C1A B4A B9A -3.8(2) . . . . ?
B2A C1A B4A B10A -66.6(2) . . . . ?
B2A C1A B5A B4A 106.90(18) . . . . ?
B2A C1A B5A B6A -36.05(16) . . . . ?
B2A C1A B5A B10A 66.6(2) . . . . ?
B2A C1A B5A B11A 4.0(2) . . . . ?
B2A C1A B6A B5A 143.07(16) . . . . ?
B2A C1A B6A B7A 39.94(14) . . . . ?
B2A C1A B6A B11A 102.96(16) . . . . ?
B2A B3A B4A C1A -32.67(15) . . . . ?
B2A B3A B4A B5A 0.1(2) . . . . ?
B2A B3A B4A B9A 101.18(17) . . . . ?
B2A B3A B4A B10A 63.1(2) . . . . ?
B2A B3A B8A B7A -37.10(15) . . . . ?
B2A B3A B8A B9A -138.10(17) . . . . ?
B2A B3A B8A B12A -100.80(17) . . . . ?
B2A B3A B9A B4A -100.55(18) . . . . ?
B2A B3A B9A B8A 37.37(15) . . . . ?
B2A B3A B9A B10A -63.0(2) . . . . ?
B2A B3A B9A B12A 0.3(2) . . . . ?
B2A B6A B7A B8A 37.34(15) . . . . ?
B2A B6A B7A B11A 138.26(16) . . . . ?
B2A B6A B7A B12A 100.37(17) . . . . ?
B2A B6A B11A B5A 100.80(18) . . . . ?
B2A B6A B11A B7A -37.40(15) . . . . ?
B2A B6A B11A B10A 63.59(19) . . . . ?
B2A B6A B11A B12A 0.3(2) . . . . ?
B2A B7A B8A B3A 37.43(15) . . . . ?
B2A B7A B8A B9A 100.57(17) . . . . ?
B2A B7A B8A B12A 137.97(16) . . . . ?
B2A B7A B11A B5A 0.2(2) . . . . ?
B2A B7A B11A B6A 37.36(15) . . . . ?
B2A B7A B11A B10A -62.59(19) . . . . ?
B2A B7A B11A B12A -100.10(17) . . . . ?
B2A B7A B12A C2A -146.53(18) . . . . ?
B2A B7A B12A B8A -37.26(15) . . . . ?
B2A B7A B12A B9A 0.2(2) . . . . ?
B2A B7A B12A B10A 63.87(19) . . . . ?
B2A B7A B12A B11A 101.17(17) . . . . ?
B2A B8A B9A B3A -37.63(15) . . . . ?
B2A B8A B9A B4A -0.1(2) . . . . ?
B2A B8A B9A B10A 63.02(19) . . . . ?
B2A B8A B9A B12A 100.61(17) . . . . ?
B2A B8A B12A C2A 148.00(18) . . . . ?
B2A B8A B12A B7A 37.36(15) . . . . ?
B2A B8A B12A B9A -100.90(17) . . . . ?
B2A B8A B12A B10A -63.1(2) . . . . ?
B2A B8A B12A B11A 0.1(2) . . . . ?
B3A C1A B2A B6A 143.04(16) . . . . ?
B3A C1A B2A B7A 103.03(17) . . . . ?
B3A C1A B2A B8A 40.04(15) . . . . ?
B3A C1A B4A B5A -142.90(17) . . . . ?
B3A C1A B4A B9A -40.15(15) . . . . ?
B3A C1A B4A B10A -102.99(17) . . . . ?
B3A C1A B5A B4A 36.41(16) . . . . ?
B3A C1A B5A B6A -106.54(18) . . . . ?
B3A C1A B5A B10A -3.9(2) . . . . ?
B3A C1A B5A B11A -66.5(2) . . . . ?
B3A C1A B6A B2A -36.26(16) . . . . ?
B3A C1A B6A B5A 106.81(18) . . . . ?
B3A C1A B6A B7A 3.7(2) . . . . ?
B3A C1A B6A B11A 66.7(2) . . . . ?
B3A B2A B6A C1A 32.63(14) . . . . ?
B3A B2A B6A B5A 0.0(2) . . . . ?
B3A B2A B6A B7A -101.51(17) . . . . ?
B3A B2A B6A B11A -63.7(2) . . . . ?
B3A B2A B7A B6A 100.58(17) . . . . ?
B3A B2A B7A B8A -37.37(15) . . . . ?
B3A B2A B7A B11A 63.3(2) . . . . ?
B3A B2A B7A B12A -0.1(2) . . . . ?
B3A B2A B8A B7A 138.36(17) . . . . ?
B3A B2A B8A B9A 37.30(15) . . . . ?
B3A B2A B8A B12A 100.72(17) . . . . ?
B3A B4A B5A C1A -32.79(15) . . . . ?
B3A B4A B5A B6A -0.1(2) . . . . ?
B3A B4A B5A B10A 101.07(17) . . . . ?
B3A B4A B5A B11A 63.42(19) . . . . ?
B3A B4A B9A B8A -37.33(15) . . . . ?
B3A B4A B9A B10A -137.84(17) . . . . ?
B3A B4A B9A B12A -100.32(17) . . . . ?
B3A B4A B10A B5A -100.56(17) . . . . ?
B3A B4A B10A B9A 37.72(15) . . . . ?
B3A B4A B10A B11A -63.1(2) . . . . ?
B3A B4A B10A B12A 0.4(2) . . . . ?
B3A B8A B9A B4A 37.54(16) . . . . ?
B3A B8A B9A B10A 100.65(17) . . . . ?
B3A B8A B9A B12A 138.23(16) . . . . ?
B3A B8A B12A C2A -148.23(18) . . . . ?
B3A B8A B12A B7A 101.13(17) . . . . ?
B3A B8A B12A B9A -37.13(15) . . . . ?
B3A B8A B12A B10A 0.7(2) . . . . ?
B3A B8A B12A B11A 63.9(2) . . . . ?
B3A B9A B10A B4A -37.64(15) . . . . ?
B3A B9A B10A B5A -0.3(2) . . . . ?
B3A B9A B10A B11A 63.2(2) . . . . ?
B3A B9A B10A B12A 100.32(17) . . . . ?
B3A B9A B12A C2A 146.33(19) . . . . ?
B3A B9A B12A B7A -0.3(2) . . . . ?
B3A B9A B12A B8A 37.04(15) . . . . ?
B3A B9A B12A B10A -100.80(17) . . . . ?
B3A B9A B12A B11A -63.9(2) . . . . ?
B4A C1A B2A B3A -36.34(17) . . . . ?
B4A C1A B2A B6A 106.70(18) . . . . ?
B4A C1A B2A B7A 66.7(2) . . . . ?
B4A C1A B2A B8A 3.7(2) . . . . ?
B4A C1A B3A B2A 142.95(17) . . . . ?
B4A C1A B3A B8A 103.11(17) . . . . ?
B4A C1A B3A B9A 40.18(15) . . . . ?
B4A C1A B5A B6A -142.95(16) . . . . ?
B4A C1A B5A B10A -40.28(15) . . . . ?
B4A C1A B5A B11A -102.90(17) . . . . ?
B4A C1A B6A B2A -106.63(18) . . . . ?
B4A C1A B6A B5A 36.44(16) . . . . ?
B4A C1A B6A B7A -66.7(2) . . . . ?
B4A C1A B6A B11A -3.7(2) . . . . ?
B4A B3A B8A B2A 100.37(18) . . . . ?
B4A B3A B8A B7A 63.3(2) . . . . ?
B4A B3A B8A B9A -37.73(15) . . . . ?
B4A B3A B8A B12A -0.4(2) . . . . ?
B4A B3A B9A B8A 137.92(17) . . . . ?
B4A B3A B9A B10A 37.54(16) . . . . ?
B4A B3A B9A B12A 100.84(17) . . . . ?
B4A B5A B6A C1A -32.62(14) . . . . ?
B4A B5A B6A B2A 0.1(2) . . . . ?
B4A B5A B6A B7A 63.6(2) . . . . ?
B4A B5A B6A B11A 101.45(17) . . . . ?
B4A B5A B10A B9A -37.03(15) . . . . ?
B4A B5A B10A B11A -138.20(16) . . . . ?
B4A B5A B10A B12A -100.16(17) . . . . ?
B4A B5A B11A B6A -100.39(17) . . . . ?
B4A B5A B11A B7A -63.46(19) . . . . ?
B4A B5A B11A B10A 37.57(15) . . . . ?
B4A B5A B11A B12A -0.3(2) . . . . ?
B4A B9A B10A B5A 37.35(15) . . . . ?
B4A B9A B10A B11A 100.88(17) . . . . ?
B4A B9A B10A B12A 137.96(16) . . . . ?
B4A B9A B12A C2A -150.32(19) . . . . ?
B4A B9A B12A B7A 63.0(2) . . . . ?
B4A B9A B12A B8A 100.39(17) . . . . ?
B4A B9A B12A B10A -37.45(15) . . . . ?
B4A B9A B12A B11A -0.5(2) . . . . ?
B4A B10A B11A B5A -37.52(15) . . . . ?
B4A B10A B11A B6A -0.2(2) . . . . ?
B4A B10A B11A B7A 62.5(2) . . . . ?
B4A B10A B11A B12A 99.91(17) . . . . ?
B4A B10A B12A C2A 147.13(19) . . . . ?
B4A B10A B12A B7A -64.06(19) . . . . ?
B4A B10A B12A B8A -0.7(2) . . . . ?
B4A B10A B12A B9A 37.18(15) . . . . ?
B4A B10A B12A B11A -101.49(17) . . . . ?
B5A C1A B2A B3A -106.91(18) . . . . ?
B5A C1A B2A B6A 36.13(16) . . . . ?
B5A C1A B2A B7A -3.9(2) . . . . ?
B5A C1A B2A B8A -66.9(2) . . . . ?
B5A C1A B3A B2A 106.46(18) . . . . ?
B5A C1A B3A B4A -36.49(17) . . . . ?
B5A C1A B3A B8A 66.6(2) . . . . ?
B5A C1A B3A B9A 3.7(2) . . . . ?
B5A C1A B4A B3A 142.90(17) . . . . ?
B5A C1A B4A B9A 102.75(17) . . . . ?
B5A C1A B4A B10A 39.91(15) . . . . ?
B5A C1A B6A B2A -143.07(16) . . . . ?
B5A C1A B6A B7A -103.14(16) . . . . ?
B5A C1A B6A B11A -40.12(14) . . . . ?
B5A B4A B9A B3A 100.65(17) . . . . ?
B5A B4A B9A B8A 63.3(2) . . . . ?
B5A B4A B9A B10A -37.19(15) . . . . ?
B5A B4A B9A B12A 0.3(2) . . . . ?
B5A B4A B10A B9A 138.27(17) . . . . ?
B5A B4A B10A B11A 37.47(15) . . . . ?
B5A B4A B10A B12A 100.96(17) . . . . ?
B5A B6A B7A B2A -100.68(18) . . . . ?
B5A B6A B7A B8A -63.3(2) . . . . ?
B5A B6A B7A B11A 37.58(16) . . . . ?
B5A B6A B7A B12A -0.3(2) . . . . ?
B5A B6A B11A B7A -138.21(17) . . . . ?
B5A B6A B11A B10A -37.22(15) . . . . ?
B5A B6A B11A B12A -100.47(17) . . . . ?
B5A B10A B11A B6A 37.36(15) . . . . ?
B5A B10A B11A B7A 99.99(17) . . . . ?
B5A B10A B11A B12A 137.42(17) . . . . ?
B5A B10A B12A C2A -149.40(19) . . . . ?
B5A B10A B12A B7A -0.6(2) . . . . ?
B5A B10A B12A B8A 62.8(2) . . . . ?
B5A B10A B12A B9A 100.65(17) . . . . ?
B5A B10A B12A B11A -38.02(16) . . . . ?
B5A B11A B12A C2A 149.84(19) . . . . ?
B5A B11A B12A B7A -100.44(17) . . . . ?
B5A B11A B12A B8A -63.25(19) . . . . ?
B5A B11A B12A B9A 0.5(2) . . . . ?
B5A B11A B12A B10A 37.65(15) . . . . ?
B6A C1A B2A B3A -143.04(16) . . . . ?
B6A C1A B2A B7A -40.01(15) . . . . ?
B6A C1A B2A B8A -103.00(17) . . . . ?
B6A C1A B3A B2A 36.12(16) . . . . ?
B6A C1A B3A B4A -106.83(18) . . . . ?
B6A C1A B3A B8A -3.7(2) . . . . ?
B6A C1A B3A B9A -66.7(2) . . . . ?
B6A C1A B4A B3A 106.54(18) . . . . ?
B6A C1A B4A B5A -36.35(16) . . . . ?
B6A C1A B4A B9A 66.4(2) . . . . ?
B6A C1A B4A B10A 3.6(2) . . . . ?
B6A C1A B5A B4A 142.95(16) . . . . ?
B6A C1A B5A B10A 102.68(17) . . . . ?
B6A C1A B5A B11A 40.05(14) . . . . ?
B6A B2A B3A C1A -32.70(15) . . . . ?
B6A B2A B3A B4A 0.0(2) . . . . ?
B6A B2A B3A B8A 101.30(17) . . . . ?
B6A B2A B3A B9A 63.4(2) . . . . ?
B6A B2A B7A B8A -137.95(16) . . . . ?
B6A B2A B7A B11A -37.29(14) . . . . ?
B6A B2A B7A B12A -100.63(16) . . . . ?
B6A B2A B8A B3A -100.65(17) . . . . ?
B6A B2A B8A B7A 37.71(15) . . . . ?
B6A B2A B8A B9A -63.4(2) . . . . ?
B6A B2A B8A B12A 0.1(2) . . . . ?
B6A B5A B10A B4A 100.56(18) . . . . ?
B6A B5A B10A B9A 63.5(2) . . . . ?
B6A B5A B10A B11A -37.64(15) . . . . ?
B6A B5A B10A B12A 0.4(2) . . . . ?
B6A B5A B11A B7A 36.93(15) . . . . ?
B6A B5A B11A B10A 137.96(17) . . . . ?
B6A B5A B11A B12A 100.05(17) . . . . ?
B6A B7A B8A B2A -37.53(15) . . . . ?
B6A B7A B8A B3A -0.1(2) . . . . ?
B6A B7A B8A B9A 63.04(19) . . . . ?
B6A B7A B8A B12A 100.43(16) . . . . ?
B6A B7A B11A B5A -37.15(15) . . . . ?
B6A B7A B11A B10A -99.95(17) . . . . ?
B6A B7A B11A B12A -137.46(17) . . . . ?
B6A B7A B12A C2A 150.15(18) . . . . ?
B6A B7A B12A B8A -100.58(17) . . . . ?
B6A B7A B12A B9A -63.09(19) . . . . ?
B6A B7A B12A B10A 0.6(2) . . . . ?
B6A B7A B12A B11A 37.85(15) . . . . ?
B6A B11A B12A C2A -147.20(19) . . . . ?
B6A B11A B12A B7A -37.48(15) . . . . ?
B6A B11A B12A B8A -0.3(2) . . . . ?
B6A B11A B12A B9A 63.50(19) . . . . ?
B6A B11A B12A B10A 100.61(17) . . . . ?
B7A B2A B3A C1A -96.29(17) . . . . ?
B7A B2A B3A B4A -63.6(2) . . . . ?
B7A B2A B3A B8A 37.70(15) . . . . ?
B7A B2A B3A B9A -0.1(2) . . . . ?
B7A B2A B6A C1A 134.14(16) . . . . ?
B7A B2A B6A B5A 101.47(17) . . . . ?
B7A B2A B6A B11A 37.76(15) . . . . ?
B7A B2A B8A B3A -138.36(17) . . . . ?
B7A B2A B8A B9A -101.06(17) . . . . ?
B7A B2A B8A B12A -37.64(15) . . . . ?
B7A B6A B11A B5A 138.21(17) . . . . ?
B7A B6A B11A B10A 100.99(17) . . . . ?
B7A B6A B11A B12A 37.74(15) . . . . ?
B7A B8A B9A B3A -100.73(17) . . . . ?
B7A B8A B9A B4A -63.2(2) . . . . ?
B7A B8A B9A B10A -0.1(2) . . . . ?
B7A B8A B9A B12A 37.50(15) . . . . ?
B7A B8A B12A C2A 110.6(2) . . . . ?
B7A B8A B12A B9A -138.26(16) . . . . ?
B7A B8A B12A B10A -100.45(16) . . . . ?
B7A B8A B12A B11A -37.22(15) . . . . ?
B7A B11A B12A C2A -109.7(2) . . . . ?
B7A B11A B12A B8A 37.19(15) . . . . ?
B7A B11A B12A B9A 100.98(17) . . . . ?
B7A B11A B12A B10A 138.09(16) . . . . ?
B8A B2A B3A C1A -134.00(17) . . . . ?
B8A B2A B3A B4A -101.32(17) . . . . ?
B8A B2A B3A B9A -37.85(15) . . . . ?
B8A B2A B6A C1A 96.13(17) . . . . ?
B8A B2A B6A B5A 63.4(2) . . . . ?
B8A B2A B6A B7A -38.02(15) . . . . ?
B8A B2A B6A B11A -0.3(2) . . . . ?
B8A B2A B7A B6A 137.95(16) . . . . ?
B8A B2A B7A B11A 100.66(17) . . . . ?
B8A B2A B7A B12A 37.32(15) . . . . ?
B8A B3A B4A C1A -95.79(17) . . . . ?
B8A B3A B4A B5A -63.0(2) . . . . ?
B8A B3A B4A B9A 38.05(16) . . . . ?
B8A B3A B4A B10A 0.0(2) . . . . ?
B8A B3A B9A B4A -137.92(17) . . . . ?
B8A B3A B9A B10A -100.37(17) . . . . ?
B8A B3A B9A B12A -37.08(15) . . . . ?
B8A B7A B11A B5A 63.26(19) . . . . ?
B8A B7A B11A B6A 100.41(17) . . . . ?
B8A B7A B11A B10A 0.5(2) . . . . ?
B8A B7A B11A B12A -37.06(15) . . . . ?
B8A B7A B12A C2A -109.3(2) . . . . ?
B8A B7A B12A B9A 37.49(15) . . . . ?
B8A B7A B12A B10A 101.14(17) . . . . ?
B8A B7A B12A B11A 138.43(16) . . . . ?
B8A B9A B10A B4A -100.52(17) . . . . ?
B8A B9A B10A B5A -63.17(19) . . . . ?
B8A B9A B10A B11A 0.4(2) . . . . ?
B8A B9A B10A B12A 37.44(14) . . . . ?
B8A B9A B12A C2A 109.3(2) . . . . ?
B8A B9A B12A B7A -37.36(15) . . . . ?
B8A B9A B12A B10A -137.84(16) . . . . ?
B8A B9A B12A B11A -100.93(17) . . . . ?
B9A B3A B4A C1A -133.85(17) . . . . ?
B9A B3A B4A B5A -101.10(18) . . . . ?
B9A B3A B4A B10A -38.04(15) . . . . ?
B9A B3A B8A B2A 138.10(17) . . . . ?
B9A B3A B8A B7A 100.99(17) . . . . ?
B9A B3A B8A B12A 37.29(15) . . . . ?
B9A B4A B5A C1A -96.20(17) . . . . ?
B9A B4A B5A B6A -63.5(2) . . . . ?
B9A B4A B5A B10A 37.66(15) . . . . ?
B9A B4A B5A B11A 0.0(2) . . . . ?
B9A B4A B10A B5A -138.27(17) . . . . ?
B9A B4A B10A B11A -100.81(17) . . . . ?
B9A B4A B10A B12A -37.31(15) . . . . ?
B9A B8A B12A C2A -111.1(2) . . . . ?
B9A B8A B12A B7A 138.26(16) . . . . ?
B9A B8A B12A B10A 37.81(15) . . . . ?
B9A B8A B12A B11A 101.04(17) . . . . ?
B9A B10A B11A B5A -100.49(17) . . . . ?
B9A B10A B11A B6A -63.13(19) . . . . ?
B9A B10A B11A B7A -0.5(2) . . . . ?
B9A B10A B11A B12A 36.93(15) . . . . ?
B9A B10A B12A C2A 110.0(2) . . . . ?
B9A B10A B12A B7A -101.24(17) . . . . ?
B9A B10A B12A B8A -37.85(15) . . . . ?
B9A B10A B12A B11A -138.67(16) . . . . ?
B10A B4A B5A C1A -133.86(16) . . . . ?
B10A B4A B5A B6A -101.18(17) . . . . ?
B10A B4A B5A B11A -37.65(15) . . . . ?
B10A B4A B9A B3A 137.84(17) . . . . ?
B10A B4A B9A B8A 100.51(17) . . . . ?
B10A B4A B9A B12A 37.52(15) . . . . ?
B10A B5A B6A C1A -96.27(18) . . . . ?
B10A B5A B6A B2A -63.6(2) . . . . ?
B10A B5A B6A B7A -0.1(2) . . . . ?
B10A B5A B6A B11A 37.80(15) . . . . ?
B10A B5A B11A B6A -137.96(17) . . . . ?
B10A B5A B11A B7A -101.02(17) . . . . ?
B10A B5A B11A B12A -37.91(15) . . . . ?
B10A B9A B12A C2A -112.9(2) . . . . ?
B10A B9A B12A B7A 100.48(16) . . . . ?
B10A B9A B12A B8A 137.84(16) . . . . ?
B10A B9A B12A B11A 36.91(14) . . . . ?
B10A B11A B12A C2A 112.2(2) . . . . ?
B10A B11A B12A B7A -138.09(16) . . . . ?
B10A B11A B12A B8A -100.90(17) . . . . ?
B10A B11A B12A B9A -37.10(15) . . . . ?
B11A B5A B6A C1A -134.06(16) . . . . ?
B11A B5A B6A B2A -101.35(17) . . . . ?
B11A B5A B6A B7A -37.85(15) . . . . ?
B11A B5A B10A B4A 138.20(16) . . . . ?
B11A B5A B10A B9A 101.17(17) . . . . ?
B11A B5A B10A B12A 38.04(15) . . . . ?
B11A B6A B7A B2A -138.26(16) . . . . ?
B11A B6A B7A B8A -100.92(17) . . . . ?
B11A B6A B7A B12A -37.90(15) . . . . ?
B11A B7A B8A B2A -100.80(17) . . . . ?
B11A B7A B8A B3A -63.4(2) . . . . ?
B11A B7A B8A B9A -0.2(2) . . . . ?
B11A B7A B8A B12A 37.17(15) . . . . ?
B11A B7A B12A C2A 112.3(2) . . . . ?
B11A B7A B12A B8A -138.43(16) . . . . ?
B11A B7A B12A B9A -100.94(17) . . . . ?
B11A B7A B12A B10A -37.30(15) . . . . ?
B11A B10A B12A C2A -111.4(2) . . . . ?
B11A B10A B12A B7A 37.43(15) . . . . ?
B11A B10A B12A B8A 100.82(17) . . . . ?
B11A B10A B12A B9A 138.67(16) . . . . ?
B12A B7A B8A B2A -137.97(16) . . . . ?
B12A B7A B8A B3A -100.54(17) . . . . ?
B12A B7A B8A B9A -37.40(15) . . . . ?
B12A B7A B11A B5A 100.32(17) . . . . ?
B12A B7A B11A B6A 137.46(17) . . . . ?
B12A B7A B11A B10A 37.51(15) . . . . ?
B12A B8A B9A B3A -138.23(16) . . . . ?
B12A B8A B9A B4A -100.69(17) . . . . ?
B12A B8A B9A B10A -37.58(14) . . . . ?
B12A B9A B10A B4A -137.96(16) . . . . ?
B12A B9A B10A B5A -100.62(17) . . . . ?
B12A B9A B10A B11A -37.08(15) . . . . ?
B12A B10A B11A B5A -137.42(17) . . . . ?
B12A B10A B11A B6A -100.06(16) . . . . ?
B12A B10A B11A B7A -37.43(15) . . . . ?
C9 N2 C11 C12 55.8(2) . . . . ?
C9 N2 C13 C14 -179.93(18) . . . . ?
C9 N2 C15 C16 -56.7(2) . . . . ?
C11 N2 C9 C10 59.7(2) . . . . ?
C11 N2 C13 C14 -59.1(2) . . . . ?
C11 N2 C15 C16 -177.91(17) . . . . ?
C13 N2 C9 C10 -179.61(19) . . . . ?
C13 N2 C11 C12 -62.5(2) . . . . ?
C13 N2 C15 C16 61.3(2) . . . . ?
C15 N2 C9 C10 -59.3(2) . . . . ?
C15 N2 C11 C12 176.87(18) . . . . ?
C15 N2 C13 C14 59.6(2) . . . . ?
C9A N2A C11A C12A 59.8(3) . . . . ?
C9A N2A C13A C14A 174.79(19) . . . . ?
C9A N2A C15A C16A -60.8(2) . . . . ?
C11A N2A C9A C10A 59.8(2) . . . . ?
C11A N2A C13A C14A -63.4(2) . . . . ?
C11A N2A C15A C16A 177.8(2) . . . . ?
C13A N2A C9A C10A -178.51(19) . . . . ?
C13A N2A C11A C12A -58.9(3) . . . . ?
C13A N2A C15A C16A 56.5(2) . . . . ?
C15A N2A C9A C10A -58.7(2) . . . . ?
C15A N2A C11A C12A -179.5(2) . . . . ?
C15A N2A C13A C14A 55.0(2) . . . . ?
