#------------------------------------------------------------------------------
#$Date: 2021-04-05 16:48:06 +0200 (lun 05 de abr de 2021) $
#$Revision: 263754 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/65/7706569.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_7706569
loop_
_publ_author_name
'Kim, Mingi'
'Im, Sehee'
'Ryu, Chan Hee'
'Lee, Seok Ho'
'Hong, Ju Hyun'
'Lee, Kang Mun'
_publ_section_title
;
 Impact of deboronation on the electronic characteristics of
 closo-o-carborane: intriguing photophysical changes in triazole-appended
 carboranyl luminophores.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3207
_journal_page_last               3215
_journal_paper_doi               10.1039/d0dt04038j
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C35 H50 B20 N6 O'
_chemical_formula_weight         787.01
_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   mixed
_audit_block_doi                 10.5517/ccdc.csd.cc26n9ry
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-12-28 deposited with the CCDC.	2021-02-03 downloaded from the CCDC.
;
_cell_angle_alpha                93.0616(14)
_cell_angle_beta                 109.8435(13)
_cell_angle_gamma                90.8587(13)
_cell_formula_units_Z            2
_cell_length_a                   10.4481(4)
_cell_length_b                   14.8507(6)
_cell_length_c                   15.1867(6)
_cell_measurement_reflns_used    9547
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.75
_cell_volume                     2211.94(15)
_computing_cell_refinement       'Bruker APEXIII'
_computing_data_collection       'Bruker APEXIII'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    ORTEP
_computing_publication_material  CIFTAB
_computing_structure_refinement  SHELXL
_computing_structure_solution    SHELXS
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker Photon II'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0529
_diffrn_reflns_av_unetI/netI     0.0228
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            127691
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.513
_diffrn_reflns_theta_min         2.483
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.065
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.7279
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.182
_exptl_crystal_description       block
_exptl_crystal_F_000             820
_exptl_crystal_size_max          0.308
_exptl_crystal_size_mid          0.245
_exptl_crystal_size_min          0.152
_refine_diff_density_max         0.298
_refine_diff_density_min         -0.258
_refine_diff_density_rms         0.044
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     571
_refine_ls_number_reflns         10132
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0685
_refine_ls_R_factor_gt           0.0541
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0623P)²+1.2423P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1313
_refine_ls_wR_factor_ref         0.1430
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8297
_reflns_number_total             10132
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt04038j2.cif
_cod_data_source_block           CB1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7706569--7706570.cif.
;
_cod_database_code               7706569
_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_min   0.980
_shelx_estimated_absorpt_t_max   0.990
_shelxl_version_number           2013-4
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
C1 C 0.85289(16) 0.62998(10) 0.13837(11) 0.0269(3) Uani 1 1 d . . . . .
H1 H 0.758(2) 0.6085(14) 0.1206(14) 0.040 Uiso 1 1 d . U . . .
C2 C 0.88803(14) 0.72505(9) 0.20357(10) 0.0221(3) Uani 1 1 d . . . . .
C3 C 0.77397(14) 0.76993(9) 0.22670(10) 0.0224(3) Uani 1 1 d . . . . .
C4 C 0.79931(16) 0.81075(11) 0.31566(11) 0.0305(3) Uani 1 1 d . . . . .
H14 H 0.8877 0.8091 0.3614 0.037 Uiso 1 1 calc R U . . .
C5 C 0.69697(16) 0.85385(12) 0.33843(11) 0.0313(3) Uani 1 1 d . . . . .
H15 H 0.7157 0.8813 0.3996 0.038 Uiso 1 1 calc R U . . .
C6 C 0.56732(14) 0.85721(10) 0.27256(10) 0.0233(3) Uani 1 1 d . . . . .
C7 C 0.54082(15) 0.81519(10) 0.18359(10) 0.0248(3) Uani 1 1 d . . . . .
H17 H 0.4521 0.8163 0.1382 0.030 Uiso 1 1 calc R U . . .
C8 C 0.64350(15) 0.77163(10) 0.16074(10) 0.0248(3) Uani 1 1 d . . . . .
H18 H 0.6245 0.7430 0.1000 0.030 Uiso 1 1 calc R U . . .
C9 C 0.46057(14) 0.90030(10) 0.30147(10) 0.0235(3) Uani 1 1 d . . . . .
C10 C 0.33121(16) 0.93762(11) 0.37756(11) 0.0283(3) Uani 1 1 d . . . . .
C11 C 0.27445(19) 0.94500(13) 0.45534(13) 0.0387(4) Uani 1 1 d . . . . .
H30A H 0.3437 0.9723 0.5120 0.058 Uiso 1 1 calc R U . . .
H30B H 0.2477 0.8847 0.4677 0.058 Uiso 1 1 calc R U . . .
H30C H 0.1946 0.9828 0.4374 0.058 Uiso 1 1 calc R U . . .
C12 C 0.33839(15) 0.98468(9) 0.15873(10) 0.0228(3) Uani 1 1 d . . . . .
C13 C 0.44330(16) 1.03184(11) 0.14346(12) 0.0292(3) Uani 1 1 d . . . . .
H25 H 0.5297 1.0401 0.1915 0.035 Uiso 1 1 calc R U . . .
C14 C 0.42034(18) 1.06692(11) 0.05684(12) 0.0338(4) Uani 1 1 d . . . . .
H26 H 0.4920 1.0984 0.0449 0.041 Uiso 1 1 calc R U . . .
C15 C 0.29405(19) 1.05636(11) -0.01209(12) 0.0353(4) Uani 1 1 d . . . . .
H27 H 0.2788 1.0807 -0.0713 0.042 Uiso 1 1 calc R U . . .
C16 C 0.18974(19) 1.01050(12) 0.00484(12) 0.0375(4) Uani 1 1 d . . . . .
H28 H 0.1025 1.0044 -0.0425 0.045 Uiso 1 1 calc R U . . .
C17 C 0.21098(16) 0.97328(11) 0.09027(12) 0.0306(3) Uani 1 1 d . . . . .
H29 H 0.1397 0.9407 0.1016 0.037 Uiso 1 1 calc R U . . .
N1 N 0.35945(12) 0.94964(8) 0.24822(9) 0.0235(3) Uani 1 1 d . . . . .
N2 N 0.27452(13) 0.97383(9) 0.29692(9) 0.0275(3) Uani 1 1 d . . . . .
N4 N 0.44604(13) 0.89202(9) 0.38412(9) 0.0277(3) Uani 1 1 d . . . . .
B1 B 0.94304(18) 0.62493(12) 0.25547(13) 0.0294(4) Uani 1 1 d . . . . .
H3 H 0.9044 0.5945 0.3079 0.035 Uiso 1 1 calc R U . . .
B2 B 0.98315(19) 0.55816(12) 0.16814(14) 0.0319(4) Uani 1 1 d . . . . .
H11 H 0.9714 0.4828 0.1632 0.038 Uiso 1 1 calc R U . . .
B3 B 0.9453(2) 0.61960(13) 0.06600(14) 0.0330(4) Uani 1 1 d . . . . .
H7 H 0.9087 0.5845 -0.0057 0.040 Uiso 1 1 calc R U . . .
B4 B 0.8818(2) 0.72494(13) 0.08817(13) 0.0304(4) Uani 1 1 d . . . . .
H6 H 0.8031 0.7594 0.0317 0.036 Uiso 1 1 calc R U . . .
B5 B 1.11404(19) 0.61829(14) 0.26018(14) 0.0336(4) Uani 1 1 d . . . . .
H10 H 1.1909 0.5829 0.3169 0.040 Uiso 1 1 calc R U . . .
B6 B 1.1164(2) 0.61500(13) 0.14348(14) 0.0332(4) Uani 1 1 d . . . . .
H12 H 1.1954 0.5774 0.1233 0.040 Uiso 1 1 calc R U . . .
B7 B 1.0525(2) 0.71846(14) 0.09335(16) 0.0371(4) Uani 1 1 d . . . . .
H8 H 1.0889 0.7491 0.0399 0.045 Uiso 1 1 calc R U . . .
B8 B 1.01187(19) 0.78587(12) 0.18007(15) 0.0330(4) Uani 1 1 d . . . . .
H5 H 1.0199 0.8614 0.1844 0.040 Uiso 1 1 calc R U . . .
B9 B 1.05051(18) 0.72403(13) 0.28275(13) 0.0314(4) Uani 1 1 d . . . . .
H4 H 1.0844 0.7590 0.3545 0.038 Uiso 1 1 calc R U . . .
B10 B 1.1572(2) 0.71807(14) 0.21344(16) 0.0370(4) Uani 1 1 d . . . . .
H9 H 1.2630 0.7488 0.2393 0.044 Uiso 1 1 calc R U . . .
C31 C 0.03921(15) 0.23207(10) 0.26982(10) 0.0232(3) Uani 1 1 d . . . . .
C32 C 0.07118(16) 0.14181(11) 0.33058(12) 0.0291(3) Uani 1 1 d . . . . .
H32 H 0.163(2) 0.1242(14) 0.3458(14) 0.044 Uiso 1 1 d . U . . .
C43 C 0.15283(15) 0.27348(10) 0.24331(10) 0.0237(3) Uani 1 1 d . . . . .
C44 C 0.19055(16) 0.36386(10) 0.26631(11) 0.0276(3) Uani 1 1 d . . . . .
H44 H 0.1469 0.3991 0.3011 0.033 Uiso 1 1 calc R U . . .
C45 C 0.29099(16) 0.40370(10) 0.23929(11) 0.0282(3) Uani 1 1 d . . . . .
H45 H 0.3153 0.4658 0.2555 0.034 Uiso 1 1 calc R U . . .
C46 C 0.35642(14) 0.35323(10) 0.18847(10) 0.0221(3) Uani 1 1 d . . . . .
C47 C 0.32025(18) 0.26268(11) 0.16674(13) 0.0354(4) Uani 1 1 d . . . . .
H47 H 0.3647 0.2273 0.1326 0.043 Uiso 1 1 calc R U . . .
C48 C 0.22033(19) 0.22294(11) 0.19408(14) 0.0386(4) Uani 1 1 d . . . . .
H48 H 0.1976 0.1605 0.1791 0.046 Uiso 1 1 calc R U . . .
C49 C 0.46034(15) 0.39124(10) 0.15429(10) 0.0234(3) Uani 1 1 d . . . . .
C52 C 0.58643(16) 0.41534(11) 0.07438(11) 0.0274(3) Uani 1 1 d . . . . .
C54 C 0.57796(17) 0.50433(11) 0.28863(11) 0.0304(3) Uani 1 1 d . . . . .
C55 C 0.6380(2) 0.45736(16) 0.36683(14) 0.0520(5) Uani 1 1 d . . . . .
H55 H 0.6636 0.3968 0.3611 0.062 Uiso 1 1 calc R U . . .
C56 C 0.6603(3) 0.5007(2) 0.45471(15) 0.0714(8) Uani 1 1 d . . . . .
H56 H 0.7012 0.4693 0.5097 0.086 Uiso 1 1 calc R U . . .
C57 C 0.6236(3) 0.58864(18) 0.46237(15) 0.0623(7) Uani 1 1 d . . . . .
H57 H 0.6400 0.6178 0.5226 0.075 Uiso 1 1 calc R U . . .
C58 C 0.5636(3) 0.63408(15) 0.38364(16) 0.0617(7) Uani 1 1 d . . . . .
H58 H 0.5377 0.6946 0.3893 0.074 Uiso 1 1 calc R U . . .
C59 C 0.5405(2) 0.59220(13) 0.29555(14) 0.0479(5) Uani 1 1 d . . . . .
H59 H 0.4994 0.6237 0.2407 0.057 Uiso 1 1 calc R U . . .
C60 C 0.64750(18) 0.40688(13) -0.00114(12) 0.0359(4) Uani 1 1 d . . . . .
H60A H 0.5766 0.4133 -0.0621 0.054 Uiso 1 1 calc R U . . .
H60B H 0.6875 0.3476 -0.0007 0.054 Uiso 1 1 calc R U . . .
H60C H 0.7185 0.4542 0.0098 0.054 Uiso 1 1 calc R U . . .
N50 N 0.55051(13) 0.45914(9) 0.19758(9) 0.0260(3) Uani 1 1 d . . . . .
N51 N 0.63335(14) 0.47541(10) 0.14625(9) 0.0305(3) Uani 1 1 d . . . . .
N53 N 0.47974(13) 0.36222(9) 0.07552(9) 0.0266(3) Uani 1 1 d . . . . .
B33 B 0.0532(2) 0.24084(14) 0.38642(13) 0.0324(4) Uani 1 1 d . . . . .
H33 H 0.1374 0.2796 0.4426 0.039 Uiso 1 1 calc R U . . .
B34 B -0.0767(2) 0.29495(14) 0.30088(17) 0.0397(5) Uani 1 1 d . . . . .
H34 H -0.0797 0.3703 0.3006 0.048 Uiso 1 1 calc R U . . .
B35 B -0.12562(19) 0.2259(2) 0.19493(15) 0.0466(6) Uani 1 1 d . . . . .
H35 H -0.1608 0.2554 0.1247 0.056 Uiso 1 1 calc R U . . .
B36 B -0.0268(2) 0.12871(15) 0.21558(15) 0.0396(5) Uani 1 1 d . . . . .
H36 H 0.0048 0.0936 0.1595 0.048 Uiso 1 1 calc R U . . .
B37 B -0.1945(2) 0.1226(2) 0.21584(16) 0.0500(6) Uani 1 1 d . . . . .
H37 H -0.2770 0.0831 0.1591 0.060 Uiso 1 1 calc R U . . .
B38 B -0.2266(2) 0.22573(17) 0.26851(15) 0.0413(5) Uani 1 1 d . . . . .
H38 H -0.3300 0.2552 0.2469 0.050 Uiso 1 1 calc R U . . .
B39 B -0.1155(2) 0.23420(14) 0.38685(14) 0.0343(4) Uani 1 1 d . . . . .
H39 H -0.1451 0.2689 0.4440 0.041 Uiso 1 1 calc R U . . .
B40 B -0.0161(2) 0.13767(15) 0.40641(15) 0.0372(4) Uani 1 1 d . . . . .
H40 H 0.0220 0.1080 0.4765 0.045 Uiso 1 1 calc R U . . .
B41 B -0.0644(2) 0.06865(14) 0.30145(19) 0.0447(5) Uani 1 1 d . . . . .
H41 H -0.0580 -0.0065 0.3024 0.054 Uiso 1 1 calc R U . . .
B42 B -0.18973(19) 0.12789(14) 0.33353(14) 0.0339(4) Uani 1 1 d . . . . .
H42 H -0.2689 0.0922 0.3548 0.041 Uiso 1 1 calc R U . . .
C2M C 0.5080(3) 0.7802(2) 0.58765(19) 0.0737(8) Uani 1 1 d . . . . .
H2MA H 0.5494 0.7313 0.6276 0.111 Uiso 1 1 calc R U . . .
H2MB H 0.4309 0.7557 0.5339 0.111 Uiso 1 1 calc R U . . .
H2MC H 0.4760 0.8255 0.6239 0.111 Uiso 1 1 calc R U . . .
H1M H 0.551(4) 0.844(2) 0.497(3) 0.111 Uiso 1 1 d . U . . .
O1M O 0.60439(14) 0.82004(11) 0.55574(10) 0.0521(4) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 B3 112.57(12) . . ?
C2 C1 B2 112.68(13) . . ?
B3 C1 B2 63.06(11) . . ?
C2 C1 B4 62.18(10) . . ?
B3 C1 B4 62.62(10) . . ?
B2 C1 B4 115.21(13) . . ?
C2 C1 B1 62.18(10) . . ?
B3 C1 B1 115.55(13) . . ?
B2 C1 B1 62.97(11) . . ?
B4 C1 B1 115.76(13) . . ?
C2 C1 H1 114.0(12) . . ?
B3 C1 H1 123.4(12) . . ?
B2 C1 H1 121.7(12) . . ?
B4 C1 H1 116.4(12) . . ?
B1 C1 H1 113.7(12) . . ?
C3 C2 C1 118.16(12) . . ?
C3 C2 B8 121.96(12) . . ?
C1 C2 B8 109.82(11) . . ?
C3 C2 B9 122.42(12) . . ?
C1 C2 B9 109.62(12) . . ?
B8 C2 B9 62.64(11) . . ?
C3 C2 B4 116.82(12) . . ?
C1 C2 B4 60.79(10) . . ?
B8 C2 B4 62.10(11) . . ?
B9 C2 B4 113.46(12) . . ?
C3 C2 B1 116.88(12) . . ?
C1 C2 B1 60.91(10) . . ?
B8 C2 B1 113.90(12) . . ?
B9 C2 B1 62.11(11) . . ?
B4 C2 B1 113.51(11) . . ?
C4 C3 C8 119.12(13) . . ?
C4 C3 C2 119.39(13) . . ?
C8 C3 C2 121.49(13) . . ?
C5 C4 C3 120.66(14) . . ?
C5 C4 H14 119.7 . . ?
C3 C4 H14 119.7 . . ?
C4 C5 C6 120.56(14) . . ?
C4 C5 H15 119.7 . . ?
C6 C5 H15 119.7 . . ?
C5 C6 C7 119.01(13) . . ?
C5 C6 C9 118.45(13) . . ?
C7 C6 C9 122.43(13) . . ?
C8 C7 C6 120.46(14) . . ?
C8 C7 H17 119.8 . . ?
C6 C7 H17 119.8 . . ?
C3 C8 C7 120.18(13) . . ?
C3 C8 H18 119.9 . . ?
C7 C8 H18 119.9 . . ?
N4 C9 N1 109.33(13) . . ?
N4 C9 C6 124.23(13) . . ?
N1 C9 C6 126.36(13) . . ?
N2 C10 N4 114.42(13) . . ?
N2 C10 C11 122.98(14) . . ?
N4 C10 C11 122.60(14) . . ?
C10 C11 H30A 109.5 . . ?
C10 C11 H30B 109.5 . . ?
H30A C11 H30B 109.5 . . ?
C10 C11 H30C 109.5 . . ?
H30A C11 H30C 109.5 . . ?
H30B C11 H30C 109.5 . . ?
C13 C12 C17 121.52(14) . . ?
C13 C12 N1 119.66(13) . . ?
C17 C12 N1 118.78(13) . . ?
C12 C13 C14 118.92(15) . . ?
C12 C13 H25 120.5 . . ?
C14 C13 H25 120.5 . . ?
C15 C14 C13 120.34(15) . . ?
C15 C14 H26 119.8 . . ?
C13 C14 H26 119.8 . . ?
C14 C15 C16 120.02(16) . . ?
C14 C15 H27 120.0 . . ?
C16 C15 H27 120.0 . . ?
C15 C16 C17 120.69(16) . . ?
C15 C16 H28 119.7 . . ?
C17 C16 H28 119.7 . . ?
C12 C17 C16 118.49(15) . . ?
C12 C17 H29 120.8 . . ?
C16 C17 H29 120.8 . . ?
C9 N1 N2 109.77(12) . . ?
C9 N1 C12 130.57(12) . . ?
N2 N1 C12 119.36(12) . . ?
C10 N2 N1 102.61(12) . . ?
C9 N4 C10 103.86(13) . . ?
C1 B1 C2 56.91(9) . . ?
C1 B1 B5 103.93(12) . . ?
C2 B1 B5 104.91(12) . . ?
C1 B1 B2 58.01(10) . . ?
C2 B1 B2 104.47(12) . . ?
B5 B1 B2 60.08(11) . . ?
C1 B1 B9 103.59(12) . . ?
C2 B1 B9 58.46(10) . . ?
B5 B1 B9 60.05(11) . . ?
B2 B1 B9 107.61(13) . . ?
C1 B1 H3 125.4 . . ?
C2 B1 H3 124.5 . . ?
B5 B1 H3 122.9 . . ?
B2 B1 H3 122.3 . . ?
B9 B1 H3 122.5 . . ?
C1 B2 B3 58.45(10) . . ?
C1 B2 B6 104.41(13) . . ?
B3 B2 B6 60.29(11) . . ?
C1 B2 B5 104.36(12) . . ?
B3 B2 B5 108.42(14) . . ?
B6 B2 B5 60.16(11) . . ?
C1 B2 B1 59.02(10) . . ?
B3 B2 B1 108.48(12) . . ?
B6 B2 B1 108.06(13) . . ?
B5 B2 B1 59.64(10) . . ?
C1 B2 H11 125.1 . . ?
B3 B2 H11 121.1 . . ?
B6 B2 H11 122.3 . . ?
B5 B2 H11 122.4 . . ?
B1 B2 H11 121.3 . . ?
C1 B3 B4 59.10(10) . . ?
C1 B3 B2 58.48(10) . . ?
B4 B3 B2 108.52(13) . . ?
C1 B3 B7 104.48(13) . . ?
B4 B3 B7 59.67(11) . . ?
B2 B3 B7 108.38(14) . . ?
C1 B3 B6 104.11(13) . . ?
B4 B3 B6 108.05(14) . . ?
B2 B3 B6 59.88(11) . . ?
B7 B3 B6 60.35(12) . . ?
C1 B3 H7 125.1 . . ?
B4 B3 H7 121.2 . . ?
B2 B3 H7 121.2 . . ?
B7 B3 H7 122.3 . . ?
B6 B3 H7 122.5 . . ?
C1 B4 C2 57.03(9) . . ?
C1 B4 B7 104.41(13) . . ?
C2 B4 B7 105.19(14) . . ?
C1 B4 B3 58.28(10) . . ?
C2 B4 B3 104.92(12) . . ?
B7 B4 B3 60.38(11) . . ?
C1 B4 B8 103.92(13) . . ?
C2 B4 B8 58.41(10) . . ?
B7 B4 B8 60.39(11) . . ?
B3 B4 B8 108.32(14) . . ?
C1 B4 H6 125.2 . . ?
C2 B4 H6 124.4 . . ?
B7 B4 H6 122.6 . . ?
B3 B4 H6 121.9 . . ?
B8 B4 H6 122.3 . . ?
B1 B5 B9 60.30(10) . . ?
B1 B5 B2 60.29(11) . . ?
B9 B5 B2 107.97(13) . . ?
B1 B5 B6 108.31(14) . . ?
B9 B5 B6 107.59(14) . . ?
B2 B5 B6 59.84(11) . . ?
B1 B5 B10 108.02(13) . . ?
B9 B5 B10 59.65(11) . . ?
B2 B5 B10 107.38(14) . . ?
B6 B5 B10 59.63(11) . . ?
B1 B5 H10 121.3 . . ?
B9 B5 H10 121.8 . . ?
B2 B5 H10 121.9 . . ?
B6 B5 H10 121.9 . . ?
B10 B5 H10 122.2 . . ?
B2 B6 B10 108.25(13) . . ?
B2 B6 B5 60.00(11) . . ?
B10 B6 B5 60.57(12) . . ?
B2 B6 B3 59.83(11) . . ?
B10 B6 B3 107.69(13) . . ?
B5 B6 B3 107.92(13) . . ?
B2 B6 B7 107.83(13) . . ?
B10 B6 B7 59.95(12) . . ?
B5 B6 B7 108.43(13) . . ?
B3 B6 B7 59.70(12) . . ?
B2 B6 H12 121.8 . . ?
B10 B6 H12 121.6 . . ?
B5 B6 H12 121.4 . . ?
B3 B6 H12 122.1 . . ?
B7 B6 H12 121.8 . . ?
B4 B7 B3 59.95(11) . . ?
B4 B7 B8 60.16(10) . . ?
B3 B7 B8 107.79(13) . . ?
B4 B7 B10 108.05(13) . . ?
B3 B7 B10 107.67(14) . . ?
B8 B7 B10 59.85(11) . . ?
B4 B7 B6 107.94(13) . . ?
B3 B7 B6 59.94(11) . . ?
B8 B7 B6 107.54(14) . . ?
B10 B7 B6 59.68(12) . . ?
B4 B7 H8 121.6 . . ?
B3 B7 H8 121.9 . . ?
B8 B7 H8 121.9 . . ?
B10 B7 H8 121.9 . . ?
B6 B7 H8 122.0 . . ?
C2 B8 B4 59.49(10) . . ?
C2 B8 B10 105.09(13) . . ?
B4 B8 B10 107.67(13) . . ?
C2 B8 B7 105.30(13) . . ?
B4 B8 B7 59.45(11) . . ?
B10 B8 B7 60.08(12) . . ?
C2 B8 B9 58.80(10) . . ?
B4 B8 B9 108.23(13) . . ?
B10 B8 B9 59.83(11) . . ?
B7 B8 B9 107.94(13) . . ?
C2 B8 H5 124.1 . . ?
B4 B8 H5 121.5 . . ?
B10 B8 H5 122.5 . . ?
B7 B8 H5 122.4 . . ?
B9 B8 H5 121.5 . . ?
C2 B9 B10 104.98(13) . . ?
C2 B9 B5 105.33(13) . . ?
B10 B9 B5 60.65(11) . . ?
C2 B9 B1 59.43(10) . . ?
B10 B9 B1 108.29(13) . . ?
B5 B9 B1 59.65(11) . . ?
C2 B9 B8 58.56(10) . . ?
B10 B9 B8 59.92(11) . . ?
B5 B9 B8 108.49(13) . . ?
B1 B9 B8 108.36(13) . . ?
C2 B9 H4 124.4 . . ?
B10 B9 H4 122.1 . . ?
B5 B9 H4 122.0 . . ?
B1 B9 H4 121.3 . . ?
B8 B9 H4 121.4 . . ?
B9 B10 B6 107.77(13) . . ?
B9 B10 B8 60.24(11) . . ?
B6 B10 B8 108.26(14) . . ?
B9 B10 B7 108.26(13) . . ?
B6 B10 B7 60.36(12) . . ?
B8 B10 B7 60.07(12) . . ?
B9 B10 B5 59.70(11) . . ?
B6 B10 B5 59.80(11) . . ?
B8 B10 B5 107.99(13) . . ?
B7 B10 B5 108.16(14) . . ?
B9 B10 H9 121.8 . . ?
B6 B10 H9 121.7 . . ?
B8 B10 H9 121.5 . . ?
B7 B10 H9 121.4 . . ?
B5 B10 H9 121.9 . . ?
C43 C31 C32 118.00(12) . . ?
C43 C31 B35 122.01(13) . . ?
C32 C31 B35 109.64(13) . . ?
C43 C31 B34 123.04(13) . . ?
C32 C31 B34 109.43(12) . . ?
B35 C31 B34 62.49(13) . . ?
C43 C31 B36 116.67(12) . . ?
C32 C31 B36 60.58(11) . . ?
B35 C31 B36 62.00(13) . . ?
B34 C31 B36 113.05(13) . . ?
C43 C31 B33 117.75(12) . . ?
C32 C31 B33 60.73(10) . . ?
B35 C31 B33 113.30(12) . . ?
B34 C31 B33 61.87(11) . . ?
B36 C31 B33 112.79(13) . . ?
C31 C32 B41 112.61(14) . . ?
C31 C32 B36 61.97(11) . . ?
B41 C32 B36 62.76(13) . . ?
C31 C32 B40 112.42(13) . . ?
B41 C32 B40 62.72(12) . . ?
B36 C32 B40 114.71(13) . . ?
C31 C32 B33 62.02(10) . . ?
B41 C32 B33 114.96(13) . . ?
B36 C32 B33 115.05(14) . . ?
B40 C32 B33 62.70(11) . . ?
C31 C32 H32 112.9(13) . . ?
B41 C32 H32 124.2(13) . . ?
B36 C32 H32 116.0(13) . . ?
B40 C32 H32 123.1(13) . . ?
B33 C32 H32 114.0(13) . . ?
C44 C43 C48 118.40(14) . . ?
C44 C43 C31 120.32(13) . . ?
C48 C43 C31 121.27(14) . . ?
C45 C44 C43 121.00(14) . . ?
C45 C44 H44 119.5 . . ?
C43 C44 H44 119.5 . . ?
C44 C45 C46 120.36(14) . . ?
C44 C45 H45 119.8 . . ?
C46 C45 H45 119.8 . . ?
C47 C46 C45 118.65(14) . . ?
C47 C46 C49 117.70(13) . . ?
C45 C46 C49 123.64(13) . . ?
C48 C47 C46 120.91(14) . . ?
C48 C47 H47 119.5 . . ?
C46 C47 H47 119.5 . . ?
C47 C48 C43 120.65(15) . . ?
C47 C48 H48 119.7 . . ?
C43 C48 H48 119.7 . . ?
N53 C49 N50 109.89(13) . . ?
N53 C49 C46 124.35(13) . . ?
N50 C49 C46 125.76(13) . . ?
N51 C52 N53 114.82(13) . . ?
N51 C52 C60 121.94(14) . . ?
N53 C52 C60 123.24(14) . . ?
C55 C54 C59 121.59(17) . . ?
C55 C54 N50 118.72(16) . . ?
C59 C54 N50 119.66(16) . . ?
C54 C55 C56 118.4(2) . . ?
C54 C55 H55 120.8 . . ?
C56 C55 H55 120.8 . . ?
C57 C56 C55 120.4(2) . . ?
C57 C56 H56 119.8 . . ?
C55 C56 H56 119.8 . . ?
C58 C57 C56 120.2(2) . . ?
C58 C57 H57 119.9 . . ?
C56 C57 H57 119.9 . . ?
C57 C58 C59 120.2(2) . . ?
C57 C58 H58 119.9 . . ?
C59 C58 H58 119.9 . . ?
C54 C59 C58 119.1(2) . . ?
C54 C59 H59 120.4 . . ?
C58 C59 H59 120.4 . . ?
C52 C60 H60A 109.5 . . ?
C52 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C52 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C49 N50 N51 109.55(12) . . ?
C49 N50 C54 129.66(13) . . ?
N51 N50 C54 120.31(12) . . ?
C52 N51 N50 102.48(12) . . ?
C49 N53 C52 103.26(12) . . ?
C32 B33 C31 57.25(9) . . ?
C32 B33 B39 104.28(13) . . ?
C31 B33 B39 105.49(13) . . ?
C32 B33 B34 104.26(13) . . ?
C31 B33 B34 58.78(10) . . ?
B39 B33 B34 60.37(11) . . ?
C32 B33 B40 58.48(11) . . ?
C31 B33 B40 105.20(13) . . ?
B39 B33 B40 59.76(11) . . ?
B34 B33 B40 107.95(14) . . ?
C32 B33 H33 125.0 . . ?
C31 B33 H33 124.0 . . ?
B39 B33 H33 122.8 . . ?
B34 B33 H33 122.2 . . ?
B40 B33 H33 122.1 . . ?
C31 B34 B33 59.36(10) . . ?
C31 B34 B38 105.45(15) . . ?
B33 B34 B38 108.07(14) . . ?
C31 B34 B35 58.63(10) . . ?
B33 B34 B35 108.11(14) . . ?
B38 B34 B35 60.24(12) . . ?
C31 B34 B39 105.49(13) . . ?
B33 B34 B39 59.80(11) . . ?
B38 B34 B39 60.07(11) . . ?
B35 B34 B39 108.14(15) . . ?
C31 B34 H34 124.1 . . ?
B33 B34 H34 121.4 . . ?
B38 B34 H34 122.1 . . ?
B35 B34 H34 121.5 . . ?
B39 B34 H34 122.2 . . ?
C31 B35 B36 59.29(10) . . ?
C31 B35 B37 105.22(15) . . ?
B36 B35 B37 59.45(13) . . ?
C31 B35 B34 58.88(11) . . ?
B36 B35 B34 107.92(14) . . ?
B37 B35 B34 107.66(14) . . ?
C31 B35 B38 105.18(14) . . ?
B36 B35 B38 107.66(16) . . ?
B37 B35 B38 60.12(13) . . ?
B34 B35 B38 59.66(12) . . ?
C31 B35 H35 124.1 . . ?
B36 B35 H35 121.6 . . ?
B37 B35 H35 122.5 . . ?
B34 B35 H35 121.7 . . ?
B38 B35 H35 122.4 . . ?
C32 B36 C31 57.45(9) . . ?
C32 B36 B37 104.62(14) . . ?
C31 B36 B37 105.58(15) . . ?
C32 B36 B41 58.46(12) . . ?
C31 B36 B41 105.50(13) . . ?
B37 B36 B41 60.28(13) . . ?
C32 B36 B35 104.55(14) . . ?
C31 B36 B35 58.71(12) . . ?
B37 B36 B35 60.48(14) . . ?
B41 B36 B35 108.61(14) . . ?
C32 B36 H36 124.9 . . ?
C31 B36 H36 124.0 . . ?
B37 B36 H36 122.6 . . ?
B41 B36 H36 121.7 . . ?
B35 B36 H36 122.0 . . ?
B36 B37 B41 60.11(13) . . ?
B36 B37 B42 108.52(15) . . ?
B41 B37 B42 60.23(13) . . ?
B36 B37 B35 60.06(13) . . ?
B41 B37 B35 108.14(14) . . ?
B42 B37 B35 108.37(16) . . ?
B36 B37 B38 108.10(15) . . ?
B41 B37 B38 107.98(15) . . ?
B42 B37 B38 60.00(12) . . ?
B35 B37 B38 60.06(14) . . ?
B36 B37 H37 121.5 . . ?
B41 B37 H37 121.7 . . ?
B42 B37 H37 121.4 . . ?
B35 B37 H37 121.6 . . ?
B38 B37 H37 121.8 . . ?
B34 B38 B42 108.25(14) . . ?
B34 B38 B39 60.22(12) . . ?
B42 B38 B39 60.03(11) . . ?
B34 B38 B35 60.10(12) . . ?
B42 B38 B35 107.93(15) . . ?
B39 B38 B35 108.14(13) . . ?
B34 B38 B37 107.77(13) . . ?
B42 B38 B37 59.70(13) . . ?
B39 B38 B37 107.56(15) . . ?
B35 B38 B37 59.82(14) . . ?
B34 B38 H38 121.5 . . ?
B42 B38 H38 121.7 . . ?
B39 B38 H38 121.7 . . ?
B35 B38 H38 121.7 . . ?
B37 B38 H38 122.2 . . ?
B40 B39 B33 60.19(11) . . ?
B40 B39 B38 108.01(14) . . ?
B33 B39 B38 107.81(13) . . ?
B40 B39 B42 60.23(12) . . ?
B33 B39 B42 108.36(13) . . ?
B38 B39 B42 59.97(12) . . ?
B40 B39 B34 107.86(13) . . ?
B33 B39 B34 59.84(11) . . ?
B38 B39 B34 59.71(12) . . ?
B42 B39 B34 107.81(14) . . ?
B40 B39 H39 121.6 . . ?
B33 B39 H39 121.6 . . ?
B38 B39 H39 121.9 . . ?
B42 B39 H39 121.6 . . ?
B34 B39 H39 122.0 . . ?
C32 B40 B39 104.75(13) . . ?
C32 B40 B41 58.47(11) . . ?
B39 B40 B41 108.47(15) . . ?
C32 B40 B33 58.81(10) . . ?
B39 B40 B33 60.04(11) . . ?
B41 B40 B33 108.23(14) . . ?
C32 B40 B42 104.55(14) . . ?
B39 B40 B42 60.25(11) . . ?
B41 B40 B42 60.19(12) . . ?
B33 B40 B42 108.26(14) . . ?
C32 B40 H40 125.0 . . ?
B39 B40 H40 122.1 . . ?
B41 B40 H40 121.3 . . ?
B33 B40 H40 121.3 . . ?
B42 B40 H40 122.2 . . ?
C32 B41 B40 58.80(11) . . ?
C32 B41 B36 58.78(11) . . ?
B40 B41 B36 108.22(14) . . ?
C32 B41 B37 104.34(15) . . ?
B40 B41 B37 107.97(15) . . ?
B36 B41 B37 59.61(13) . . ?
C32 B41 B42 104.82(14) . . ?
B40 B41 B42 60.21(11) . . ?
B36 B41 B42 107.86(16) . . ?
B37 B41 B42 59.91(12) . . ?
C32 B41 H41 124.8 . . ?
B40 B41 H41 121.2 . . ?
B36 B41 H41 121.5 . . ?
B37 B41 H41 122.7 . . ?
B42 B41 H41 122.3 . . ?
B37 B42 B38 60.30(14) . . ?
B37 B42 B41 59.86(14) . . ?
B38 B42 B41 107.93(14) . . ?
B37 B42 B40 107.45(13) . . ?
B38 B42 B40 107.47(14) . . ?
B41 B42 B40 59.60(12) . . ?
B37 B42 B39 108.02(15) . . ?
B38 B42 B39 60.00(12) . . ?
B41 B42 B39 107.41(13) . . ?
B40 B42 B39 59.52(12) . . ?
B37 B42 H42 121.7 . . ?
B38 B42 H42 121.7 . . ?
B41 B42 H42 122.0 . . ?
B40 B42 H42 122.3 . . ?
B39 B42 H42 121.9 . . ?
O1M C2M H2MA 109.5 . . ?
O1M C2M H2MB 109.5 . . ?
H2MA C2M H2MB 109.5 . . ?
O1M C2M H2MC 109.5 . . ?
H2MA C2M H2MC 109.5 . . ?
H2MB C2M H2MC 109.5 . . ?
C2M O1M H1M 105(2) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.642(2) . ?
C1 B3 1.694(2) . ?
C1 B2 1.695(2) . ?
C1 B4 1.709(2) . ?
C1 B1 1.713(2) . ?
C1 H1 0.98(2) . ?
C2 C3 1.5068(19) . ?
C2 B8 1.712(2) . ?
C2 B9 1.716(2) . ?
C2 B4 1.731(2) . ?
C2 B1 1.734(2) . ?
C3 C4 1.389(2) . ?
C3 C8 1.392(2) . ?
C4 C5 1.386(2) . ?
C4 H14 0.9500 . ?
C5 C6 1.388(2) . ?
C5 H15 0.9500 . ?
C6 C7 1.394(2) . ?
C6 C9 1.4731(19) . ?
C7 C8 1.393(2) . ?
C7 H17 0.9500 . ?
C8 H18 0.9500 . ?
C9 N4 1.3262(19) . ?
C9 N1 1.3467(19) . ?
C10 N2 1.314(2) . ?
C10 N4 1.3632(19) . ?
C10 C11 1.491(2) . ?
C11 H30A 0.9800 . ?
C11 H30B 0.9800 . ?
C11 H30C 0.9800 . ?
C12 C13 1.383(2) . ?
C12 C17 1.384(2) . ?
C12 N1 1.4290(19) . ?
C13 C14 1.386(2) . ?
C13 H25 0.9500 . ?
C14 C15 1.378(3) . ?
C14 H26 0.9500 . ?
C15 C16 1.380(3) . ?
C15 H27 0.9500 . ?
C16 C17 1.387(2) . ?
C16 H28 0.9500 . ?
C17 H29 0.9500 . ?
N1 N2 1.3749(17) . ?
B1 B5 1.768(3) . ?
B1 B2 1.780(3) . ?
B1 B9 1.780(3) . ?
B1 H3 1.1200 . ?
B2 B3 1.772(3) . ?
B2 B6 1.773(3) . ?
B2 B5 1.776(3) . ?
B2 H11 1.1200 . ?
B3 B4 1.768(3) . ?
B3 B7 1.776(3) . ?
B3 B6 1.780(3) . ?
B3 H7 1.1200 . ?
B4 B7 1.763(3) . ?
B4 B8 1.776(3) . ?
B4 H6 1.1200 . ?
B5 B9 1.775(3) . ?
B5 B6 1.779(3) . ?
B5 B10 1.792(3) . ?
B5 H10 1.1200 . ?
B6 B10 1.776(3) . ?
B6 B7 1.788(3) . ?
B6 H12 1.1200 . ?
B7 B8 1.780(3) . ?
B7 B10 1.780(3) . ?
B7 H8 1.1200 . ?
B8 B10 1.776(3) . ?
B8 B9 1.782(3) . ?
B8 H5 1.1200 . ?
B9 B10 1.774(3) . ?
B9 H4 1.1200 . ?
B10 H9 1.1200 . ?
C31 C43 1.509(2) . ?
C31 C32 1.642(2) . ?
C31 B35 1.709(2) . ?
C31 B34 1.714(2) . ?
C31 B36 1.720(2) . ?
C31 B33 1.724(2) . ?
C32 B41 1.691(2) . ?
C32 B36 1.697(3) . ?
C32 B40 1.697(2) . ?
C32 B33 1.703(3) . ?
C32 H32 0.95(2) . ?
C43 C44 1.386(2) . ?
C43 C48 1.391(2) . ?
C44 C45 1.385(2) . ?
C44 H44 0.9500 . ?
C45 C46 1.392(2) . ?
C45 H45 0.9500 . ?
C46 C47 1.383(2) . ?
C46 C49 1.471(2) . ?
C47 C48 1.383(2) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 N53 1.3305(19) . ?
C49 N50 1.3479(19) . ?
C52 N51 1.322(2) . ?
C52 N53 1.361(2) . ?
C52 C60 1.491(2) . ?
C54 C55 1.373(3) . ?
C54 C59 1.377(3) . ?
C54 N50 1.4389(19) . ?
C55 C56 1.393(3) . ?
C55 H55 0.9500 . ?
C56 C57 1.377(4) . ?
C56 H56 0.9500 . ?
C57 C58 1.367(4) . ?
C57 H57 0.9500 . ?
C58 C59 1.386(3) . ?
C58 H58 0.9500 . ?
C59 H59 0.9500 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
N50 N51 1.3737(17) . ?
B33 B39 1.767(3) . ?
B33 B34 1.767(3) . ?
B33 B40 1.769(3) . ?
B33 H33 1.1200 . ?
B34 B38 1.768(3) . ?
B34 B35 1.776(3) . ?
B34 B39 1.777(3) . ?
B34 H34 1.1200 . ?
B35 B36 1.766(3) . ?
B35 B37 1.774(4) . ?
B35 B38 1.778(3) . ?
B35 H35 1.1200 . ?
B36 B37 1.755(3) . ?
B36 B41 1.764(3) . ?
B36 H36 1.1200 . ?
B37 B41 1.767(4) . ?
B37 B42 1.768(3) . ?
B37 B38 1.779(4) . ?
B37 H37 1.1200 . ?
B38 B42 1.774(3) . ?
B38 B39 1.774(3) . ?
B38 H38 1.1200 . ?
B39 B40 1.762(3) . ?
B39 B42 1.775(3) . ?
B39 H39 1.1200 . ?
B40 B41 1.763(3) . ?
B40 B42 1.774(3) . ?
B40 H40 1.1200 . ?
B41 B42 1.774(3) . ?
B41 H41 1.1200 . ?
B42 H42 1.1200 . ?
C2M O1M 1.394(3) . ?
C2M H2MA 0.9800 . ?
C2M H2MB 0.9800 . ?
C2M H2MC 0.9800 . ?
O1M H1M 0.97(4) . ?
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
B3 C1 C2 C3 145.21(14) . . . . ?
B2 C1 C2 C3 -145.77(13) . . . . ?
B4 C1 C2 C3 106.68(15) . . . . ?
B1 C1 C2 C3 -106.80(14) . . . . ?
B3 C1 C2 B8 -1.00(18) . . . . ?
B2 C1 C2 B8 68.02(16) . . . . ?
B4 C1 C2 B8 -39.52(13) . . . . ?
B1 C1 C2 B8 106.99(13) . . . . ?
B3 C1 C2 B9 -68.03(16) . . . . ?
B2 C1 C2 B9 0.99(17) . . . . ?
B4 C1 C2 B9 -106.56(13) . . . . ?
B1 C1 C2 B9 39.96(12) . . . . ?
B3 C1 C2 B4 38.53(13) . . . . ?
B2 C1 C2 B4 107.55(14) . . . . ?
B1 C1 C2 B4 146.51(12) . . . . ?
B3 C1 C2 B1 -107.99(14) . . . . ?
B2 C1 C2 B1 -38.97(12) . . . . ?
B4 C1 C2 B1 -146.51(12) . . . . ?
C1 C2 C3 C4 141.07(15) . . . . ?
B8 C2 C3 C4 -77.01(19) . . . . ?
B9 C2 C3 C4 -1.2(2) . . . . ?
B4 C2 C3 C4 -149.40(14) . . . . ?
B1 C2 C3 C4 71.37(18) . . . . ?
C1 C2 C3 C8 -39.09(19) . . . . ?
B8 C2 C3 C8 102.83(17) . . . . ?
B9 C2 C3 C8 178.62(14) . . . . ?
B4 C2 C3 C8 30.44(19) . . . . ?
B1 C2 C3 C8 -108.79(16) . . . . ?
C8 C3 C4 C5 -0.9(2) . . . . ?
C2 C3 C4 C5 178.90(15) . . . . ?
C3 C4 C5 C6 -0.2(3) . . . . ?
C4 C5 C6 C7 1.1(2) . . . . ?
C4 C5 C6 C9 177.32(15) . . . . ?
C5 C6 C7 C8 -0.9(2) . . . . ?
C9 C6 C7 C8 -176.97(14) . . . . ?
C4 C3 C8 C7 1.1(2) . . . . ?
C2 C3 C8 C7 -178.72(13) . . . . ?
C6 C7 C8 C3 -0.2(2) . . . . ?
C5 C6 C9 N4 -39.3(2) . . . . ?
C7 C6 C9 N4 136.80(16) . . . . ?
C5 C6 C9 N1 144.36(16) . . . . ?
C7 C6 C9 N1 -39.6(2) . . . . ?
C17 C12 C13 C14 -1.2(2) . . . . ?
N1 C12 C13 C14 -178.73(14) . . . . ?
C12 C13 C14 C15 1.3(2) . . . . ?
C13 C14 C15 C16 -0.1(3) . . . . ?
C14 C15 C16 C17 -1.1(3) . . . . ?
C13 C12 C17 C16 -0.1(2) . . . . ?
N1 C12 C17 C16 177.52(14) . . . . ?
C15 C16 C17 C12 1.2(3) . . . . ?
N4 C9 N1 N2 -0.72(17) . . . . ?
C6 C9 N1 N2 176.11(14) . . . . ?
N4 C9 N1 C12 172.75(14) . . . . ?
C6 C9 N1 C12 -10.4(2) . . . . ?
C13 C12 N1 C9 -49.4(2) . . . . ?
C17 C12 N1 C9 132.99(17) . . . . ?
C13 C12 N1 N2 123.56(15) . . . . ?
C17 C12 N1 N2 -54.06(19) . . . . ?
N4 C10 N2 N1 -0.02(18) . . . . ?
C11 C10 N2 N1 -179.58(15) . . . . ?
C9 N1 N2 C10 0.44(16) . . . . ?
C12 N1 N2 C10 -173.87(13) . . . . ?
N1 C9 N4 C10 0.66(17) . . . . ?
C6 C9 N4 C10 -176.25(14) . . . . ?
N2 C10 N4 C9 -0.40(19) . . . . ?
C11 C10 N4 C9 179.16(16) . . . . ?
B3 C1 B1 C2 103.22(14) . . . . ?
B2 C1 B1 C2 139.35(12) . . . . ?
B4 C1 B1 C2 32.81(12) . . . . ?
C2 C1 B1 B5 -98.90(13) . . . . ?
B3 C1 B1 B5 4.32(17) . . . . ?
B2 C1 B1 B5 40.45(12) . . . . ?
B4 C1 B1 B5 -66.09(16) . . . . ?
C2 C1 B1 B2 -139.35(12) . . . . ?
B3 C1 B1 B2 -36.13(13) . . . . ?
B4 C1 B1 B2 -106.55(14) . . . . ?
C2 C1 B1 B9 -36.88(10) . . . . ?
B3 C1 B1 B9 66.34(15) . . . . ?
B2 C1 B1 B9 102.47(13) . . . . ?
B4 C1 B1 B9 -4.07(16) . . . . ?
C3 C2 B1 C1 108.87(14) . . . . ?
B8 C2 B1 C1 -100.25(13) . . . . ?
B9 C2 B1 C1 -136.81(12) . . . . ?
B4 C2 B1 C1 -31.68(12) . . . . ?
C3 C2 B1 B5 -154.01(13) . . . . ?
C1 C2 B1 B5 97.12(13) . . . . ?
B8 C2 B1 B5 -3.13(17) . . . . ?
B9 C2 B1 B5 -39.69(12) . . . . ?
B4 C2 B1 B5 65.44(16) . . . . ?
C3 C2 B1 B2 143.66(13) . . . . ?
C1 C2 B1 B2 34.79(11) . . . . ?
B8 C2 B1 B2 -65.46(16) . . . . ?
B9 C2 B1 B2 -102.02(13) . . . . ?
B4 C2 B1 B2 3.11(16) . . . . ?
C3 C2 B1 B9 -114.32(14) . . . . ?
C1 C2 B1 B9 136.81(12) . . . . ?
B8 C2 B1 B9 36.56(13) . . . . ?
B4 C2 B1 B9 105.13(13) . . . . ?
C2 C1 B2 B3 -104.72(14) . . . . ?
B4 C1 B2 B3 -35.96(14) . . . . ?
B1 C1 B2 B3 -143.36(13) . . . . ?
C2 C1 B2 B6 -64.02(16) . . . . ?
B3 C1 B2 B6 40.71(13) . . . . ?
B4 C1 B2 B6 4.75(18) . . . . ?
B1 C1 B2 B6 -102.65(14) . . . . ?
C2 C1 B2 B5 -1.69(17) . . . . ?
B3 C1 B2 B5 103.03(14) . . . . ?
B4 C1 B2 B5 67.07(17) . . . . ?
B1 C1 B2 B5 -40.33(12) . . . . ?
C2 C1 B2 B1 38.64(12) . . . . ?
B3 C1 B2 B1 143.36(13) . . . . ?
B4 C1 B2 B1 107.40(14) . . . . ?
C2 B1 B2 C1 -34.31(11) . . . . ?
B5 B1 B2 C1 -133.40(14) . . . . ?
B9 B1 B2 C1 -95.30(13) . . . . ?
C1 B1 B2 B3 32.43(12) . . . . ?
C2 B1 B2 B3 -1.88(17) . . . . ?
B5 B1 B2 B3 -100.97(15) . . . . ?
B9 B1 B2 B3 -62.87(16) . . . . ?
C1 B1 B2 B6 96.29(14) . . . . ?
C2 B1 B2 B6 61.98(16) . . . . ?
B5 B1 B2 B6 -37.11(13) . . . . ?
B9 B1 B2 B6 0.98(17) . . . . ?
C1 B1 B2 B5 133.40(14) . . . . ?
C2 B1 B2 B5 99.09(13) . . . . ?
B9 B1 B2 B5 38.09(13) . . . . ?
C2 C1 B3 B4 -38.35(13) . . . . ?
B2 C1 B3 B4 -143.25(14) . . . . ?
B1 C1 B3 B4 -107.15(14) . . . . ?
C2 C1 B3 B2 104.91(14) . . . . ?
B4 C1 B3 B2 143.25(14) . . . . ?
B1 C1 B3 B2 36.10(13) . . . . ?
C2 C1 B3 B7 1.98(18) . . . . ?
B2 C1 B3 B7 -102.93(15) . . . . ?
B4 C1 B3 B7 40.32(13) . . . . ?
B1 C1 B3 B7 -66.83(17) . . . . ?
C2 C1 B3 B6 64.47(16) . . . . ?
B2 C1 B3 B6 -40.44(12) . . . . ?
B4 C1 B3 B6 102.82(14) . . . . ?
B1 C1 B3 B6 -4.34(17) . . . . ?
B6 B2 B3 C1 -133.34(13) . . . . ?
B5 B2 B3 C1 -95.88(13) . . . . ?
B1 B2 B3 C1 -32.65(12) . . . . ?
C1 B2 B3 B4 32.78(12) . . . . ?
B6 B2 B3 B4 -100.57(15) . . . . ?
B5 B2 B3 B4 -63.10(16) . . . . ?
B1 B2 B3 B4 0.13(18) . . . . ?
C1 B2 B3 B7 96.04(13) . . . . ?
B6 B2 B3 B7 -37.30(12) . . . . ?
B5 B2 B3 B7 0.16(16) . . . . ?
B1 B2 B3 B7 63.39(16) . . . . ?
C1 B2 B3 B6 133.34(13) . . . . ?
B5 B2 B3 B6 37.46(12) . . . . ?
B1 B2 B3 B6 100.70(14) . . . . ?
B3 C1 B4 C2 -139.63(13) . . . . ?
B2 C1 B4 C2 -103.50(14) . . . . ?
B1 C1 B4 C2 -32.81(12) . . . . ?
C2 C1 B4 B7 98.97(14) . . . . ?
B3 C1 B4 B7 -40.66(13) . . . . ?
B2 C1 B4 B7 -4.53(18) . . . . ?
B1 C1 B4 B7 66.16(16) . . . . ?
C2 C1 B4 B3 139.63(13) . . . . ?
B2 C1 B4 B3 36.12(14) . . . . ?
B1 C1 B4 B3 106.82(14) . . . . ?
C2 C1 B4 B8 36.48(11) . . . . ?
B3 C1 B4 B8 -103.15(14) . . . . ?
B2 C1 B4 B8 -67.03(16) . . . . ?
B1 C1 B4 B8 3.67(16) . . . . ?
C3 C2 B4 C1 -108.85(14) . . . . ?
B8 C2 B4 C1 137.36(13) . . . . ?
B9 C2 B4 C1 100.18(13) . . . . ?
B1 C2 B4 C1 31.72(12) . . . . ?
C3 C2 B4 B7 153.61(13) . . . . ?
C1 C2 B4 B7 -97.53(13) . . . . ?
B8 C2 B4 B7 39.82(12) . . . . ?
B9 C2 B4 B7 2.64(17) . . . . ?
B1 C2 B4 B7 -65.81(16) . . . . ?
C3 C2 B4 B3 -143.62(13) . . . . ?
C1 C2 B4 B3 -34.77(12) . . . . ?
B8 C2 B4 B3 102.59(14) . . . . ?
B9 C2 B4 B3 65.41(16) . . . . ?
B1 C2 B4 B3 -3.05(17) . . . . ?
C3 C2 B4 B8 113.79(14) . . . . ?
C1 C2 B4 B8 -137.36(13) . . . . ?
B9 C2 B4 B8 -37.18(13) . . . . ?
B1 C2 B4 B8 -105.64(13) . . . . ?
B2 B3 B4 C1 -32.54(12) . . . . ?
B7 B3 B4 C1 -133.46(14) . . . . ?
B6 B3 B4 C1 -95.95(14) . . . . ?
C1 B3 B4 C2 34.22(11) . . . . ?
B2 B3 B4 C2 1.68(17) . . . . ?
B7 B3 B4 C2 -99.23(14) . . . . ?
B6 B3 B4 C2 -61.73(16) . . . . ?
C1 B3 B4 B7 133.46(14) . . . . ?
B2 B3 B4 B7 100.91(15) . . . . ?
B6 B3 B4 B7 37.50(13) . . . . ?
C1 B3 B4 B8 95.35(14) . . . . ?
B2 B3 B4 B8 62.81(16) . . . . ?
B7 B3 B4 B8 -38.11(13) . . . . ?
B6 B3 B4 B8 -0.61(17) . . . . ?
C1 B1 B5 B9 97.85(13) . . . . ?
C2 B1 B5 B9 38.92(12) . . . . ?
B2 B1 B5 B9 137.26(14) . . . . ?
C1 B1 B5 B2 -39.42(12) . . . . ?
C2 B1 B5 B2 -98.35(13) . . . . ?
B9 B1 B5 B2 -137.26(14) . . . . ?
C1 B1 B5 B6 -2.39(17) . . . . ?
C2 B1 B5 B6 -61.32(16) . . . . ?
B2 B1 B5 B6 37.03(13) . . . . ?
B9 B1 B5 B6 -100.23(15) . . . . ?
C1 B1 B5 B10 60.72(16) . . . . ?
C2 B1 B5 B10 1.78(17) . . . . ?
B2 B1 B5 B10 100.13(15) . . . . ?
B9 B1 B5 B10 -37.13(13) . . . . ?
C1 B2 B5 B1 40.02(12) . . . . ?
B3 B2 B5 B1 101.08(13) . . . . ?
B6 B2 B5 B1 138.60(14) . . . . ?
C1 B2 B5 B9 1.73(17) . . . . ?
B3 B2 B5 B9 62.78(16) . . . . ?
B6 B2 B5 B9 100.31(15) . . . . ?
B1 B2 B5 B9 -38.29(12) . . . . ?
C1 B2 B5 B6 -98.58(14) . . . . ?
B3 B2 B5 B6 -37.52(12) . . . . ?
B1 B2 B5 B6 -138.60(14) . . . . ?
C1 B2 B5 B10 -61.20(15) . . . . ?
B3 B2 B5 B10 -0.14(16) . . . . ?
B6 B2 B5 B10 37.38(12) . . . . ?
B1 B2 B5 B10 -101.22(14) . . . . ?
C1 B2 B6 B10 60.49(17) . . . . ?
B3 B2 B6 B10 100.28(15) . . . . ?
B5 B2 B6 B10 -38.02(14) . . . . ?
B1 B2 B6 B10 -1.14(19) . . . . ?
C1 B2 B6 B5 98.51(14) . . . . ?
B3 B2 B6 B5 138.29(13) . . . . ?
B1 B2 B6 B5 36.88(13) . . . . ?
C1 B2 B6 B3 -39.78(12) . . . . ?
B5 B2 B6 B3 -138.29(13) . . . . ?
B1 B2 B6 B3 -101.41(14) . . . . ?
C1 B2 B6 B7 -2.91(17) . . . . ?
B3 B2 B6 B7 36.88(13) . . . . ?
B5 B2 B6 B7 -101.41(15) . . . . ?
B1 B2 B6 B7 -64.53(17) . . . . ?
B1 B5 B6 B2 -37.23(13) . . . . ?
B9 B5 B6 B2 -100.96(14) . . . . ?
B10 B5 B6 B2 -137.81(14) . . . . ?
B1 B5 B6 B10 100.58(15) . . . . ?
B9 B5 B6 B10 36.85(13) . . . . ?
B2 B5 B6 B10 137.81(14) . . . . ?
B1 B5 B6 B3 -0.03(18) . . . . ?
B9 B5 B6 B3 -63.76(17) . . . . ?
B2 B5 B6 B3 37.19(12) . . . . ?
B10 B5 B6 B3 -100.62(15) . . . . ?
B1 B5 B6 B7 63.15(17) . . . . ?
B9 B5 B6 B7 -0.58(18) . . . . ?
B2 B5 B6 B7 100.38(15) . . . . ?
B10 B5 B6 B7 -37.43(13) . . . . ?
C1 B3 B6 B2 39.74(12) . . . . ?
B4 B3 B6 B2 101.37(14) . . . . ?
B7 B3 B6 B2 138.57(13) . . . . ?
C1 B3 B6 B10 -61.50(16) . . . . ?
B4 B3 B6 B10 0.14(18) . . . . ?
B2 B3 B6 B10 -101.23(14) . . . . ?
B7 B3 B6 B10 37.34(13) . . . . ?
C1 B3 B6 B5 2.47(17) . . . . ?
B4 B3 B6 B5 64.10(17) . . . . ?
B2 B3 B6 B5 -37.27(13) . . . . ?
B7 B3 B6 B5 101.30(14) . . . . ?
C1 B3 B6 B7 -98.83(13) . . . . ?
B4 B3 B6 B7 -37.20(12) . . . . ?
B2 B3 B6 B7 -138.57(13) . . . . ?
C1 B4 B7 B3 39.61(12) . . . . ?
C2 B4 B7 B3 98.78(13) . . . . ?
B8 B4 B7 B3 137.64(14) . . . . ?
C1 B4 B7 B8 -98.03(14) . . . . ?
C2 B4 B7 B8 -38.86(12) . . . . ?
B3 B4 B7 B8 -137.64(14) . . . . ?
C1 B4 B7 B10 -60.78(16) . . . . ?
C2 B4 B7 B10 -1.61(17) . . . . ?
B3 B4 B7 B10 -100.39(15) . . . . ?
B8 B4 B7 B10 37.25(13) . . . . ?
C1 B4 B7 B6 2.31(18) . . . . ?
C2 B4 B7 B6 61.48(16) . . . . ?
B3 B4 B7 B6 -37.29(13) . . . . ?
B8 B4 B7 B6 100.34(15) . . . . ?
C1 B3 B7 B4 -40.04(12) . . . . ?
B2 B3 B7 B4 -101.15(14) . . . . ?
B6 B3 B7 B4 -138.24(14) . . . . ?
C1 B3 B7 B8 -2.17(18) . . . . ?
B4 B3 B7 B8 37.87(13) . . . . ?
B2 B3 B7 B8 -63.28(17) . . . . ?
B6 B3 B7 B8 -100.37(15) . . . . ?
C1 B3 B7 B10 60.99(16) . . . . ?
B4 B3 B7 B10 101.03(14) . . . . ?
B2 B3 B7 B10 -0.12(17) . . . . ?
B6 B3 B7 B10 -37.21(12) . . . . ?
C1 B3 B7 B6 98.20(14) . . . . ?
B4 B3 B7 B6 138.24(14) . . . . ?
B2 B3 B7 B6 37.09(12) . . . . ?
B2 B6 B7 B4 0.36(19) . . . . ?
B10 B6 B7 B4 -100.83(15) . . . . ?
B5 B6 B7 B4 -63.13(18) . . . . ?
B3 B6 B7 B4 37.30(13) . . . . ?
B2 B6 B7 B3 -36.94(13) . . . . ?
B10 B6 B7 B3 -138.12(13) . . . . ?
B5 B6 B7 B3 -100.42(14) . . . . ?
B2 B6 B7 B8 63.86(17) . . . . ?
B10 B6 B7 B8 -37.33(13) . . . . ?
B5 B6 B7 B8 0.37(18) . . . . ?
B3 B6 B7 B8 100.80(14) . . . . ?
B2 B6 B7 B10 101.19(14) . . . . ?
B5 B6 B7 B10 37.70(13) . . . . ?
B3 B6 B7 B10 138.12(13) . . . . ?
C3 C2 B8 B4 -105.75(15) . . . . ?
C1 C2 B8 B4 38.94(12) . . . . ?
B9 C2 B8 B4 141.38(13) . . . . ?
B1 C2 B8 B4 105.02(13) . . . . ?
C3 C2 B8 B10 152.36(14) . . . . ?
C1 C2 B8 B10 -62.95(16) . . . . ?
B9 C2 B8 B10 39.48(13) . . . . ?
B4 C2 B8 B10 -101.89(14) . . . . ?
B1 C2 B8 B10 3.12(17) . . . . ?
C3 C2 B8 B7 -145.14(14) . . . . ?
C1 C2 B8 B7 -0.45(17) . . . . ?
B9 C2 B8 B7 101.98(15) . . . . ?
B4 C2 B8 B7 -39.39(13) . . . . ?
B1 C2 B8 B7 65.62(17) . . . . ?
C3 C2 B8 B9 112.88(15) . . . . ?
C1 C2 B8 B9 -102.43(13) . . . . ?
B4 C2 B8 B9 -141.38(13) . . . . ?
B1 C2 B8 B9 -36.36(13) . . . . ?
C1 B4 B8 C2 -35.84(10) . . . . ?
B7 B4 B8 C2 -134.70(13) . . . . ?
B3 B4 B8 C2 -96.60(13) . . . . ?
C1 B4 B8 B10 61.60(15) . . . . ?
C2 B4 B8 B10 97.44(14) . . . . ?
B7 B4 B8 B10 -37.26(13) . . . . ?
B3 B4 B8 B10 0.84(17) . . . . ?
C1 B4 B8 B7 98.86(13) . . . . ?
C2 B4 B8 B7 134.70(13) . . . . ?
B3 B4 B8 B7 38.10(13) . . . . ?
C1 B4 B8 B9 -1.64(16) . . . . ?
C2 B4 B8 B9 34.20(11) . . . . ?
B7 B4 B8 B9 -100.49(14) . . . . ?
B3 B4 B8 B9 -62.39(15) . . . . ?
B4 B7 B8 C2 39.41(12) . . . . ?
B3 B7 B8 C2 1.64(19) . . . . ?
B10 B7 B8 C2 -98.86(14) . . . . ?
B6 B7 B8 C2 -61.60(17) . . . . ?
B3 B7 B8 B4 -37.77(13) . . . . ?
B10 B7 B8 B4 -138.27(14) . . . . ?
B6 B7 B8 B4 -101.02(15) . . . . ?
B4 B7 B8 B10 138.27(14) . . . . ?
B3 B7 B8 B10 100.50(15) . . . . ?
B6 B7 B8 B10 37.26(13) . . . . ?
B4 B7 B8 B9 100.99(14) . . . . ?
B3 B7 B8 B9 63.22(17) . . . . ?
B10 B7 B8 B9 -37.28(13) . . . . ?
B6 B7 B8 B9 -0.02(18) . . . . ?
C3 C2 B9 B10 -151.67(13) . . . . ?
C1 C2 B9 B10 63.25(15) . . . . ?
B8 C2 B9 B10 -39.50(12) . . . . ?
B4 C2 B9 B10 -2.54(17) . . . . ?
B1 C2 B9 B10 102.67(14) . . . . ?
C3 C2 B9 B5 145.25(14) . . . . ?
C1 C2 B9 B5 0.17(16) . . . . ?
B8 C2 B9 B5 -102.58(14) . . . . ?
B4 C2 B9 B5 -65.62(16) . . . . ?
B1 C2 B9 B5 39.59(12) . . . . ?
C3 C2 B9 B1 105.66(15) . . . . ?
C1 C2 B9 B1 -39.42(11) . . . . ?
B8 C2 B9 B1 -142.17(12) . . . . ?
B4 C2 B9 B1 -105.21(13) . . . . ?
C3 C2 B9 B8 -112.17(15) . . . . ?
C1 C2 B9 B8 102.76(13) . . . . ?
B4 C2 B9 B8 36.97(12) . . . . ?
B1 C2 B9 B8 142.17(12) . . . . ?
B1 B5 B9 C2 -39.48(12) . . . . ?
B2 B5 B9 C2 -1.20(17) . . . . ?
B6 B5 B9 C2 61.97(16) . . . . ?
B10 B5 B9 C2 98.82(14) . . . . ?
B1 B5 B9 B10 -138.30(14) . . . . ?
B2 B5 B9 B10 -100.01(15) . . . . ?
B6 B5 B9 B10 -36.84(13) . . . . ?
B2 B5 B9 B1 38.29(13) . . . . ?
B6 B5 B9 B1 101.46(15) . . . . ?
B10 B5 B9 B1 138.30(14) . . . . ?
B1 B5 B9 B8 -100.89(14) . . . . ?
B2 B5 B9 B8 -62.60(16) . . . . ?
B6 B5 B9 B8 0.57(17) . . . . ?
B10 B5 B9 B8 37.41(13) . . . . ?
C1 B1 B9 C2 36.15(10) . . . . ?
B5 B1 B9 C2 134.58(13) . . . . ?
B2 B1 B9 C2 96.48(13) . . . . ?
C1 B1 B9 B10 -60.79(16) . . . . ?
C2 B1 B9 B10 -96.94(14) . . . . ?
B5 B1 B9 B10 37.64(14) . . . . ?
B2 B1 B9 B10 -0.46(18) . . . . ?
C1 B1 B9 B5 -98.43(13) . . . . ?
C2 B1 B9 B5 -134.58(13) . . . . ?
B2 B1 B9 B5 -38.10(13) . . . . ?
C1 B1 B9 B8 2.70(15) . . . . ?
C2 B1 B9 B8 -33.46(11) . . . . ?
B5 B1 B9 B8 101.13(14) . . . . ?
B2 B1 B9 B8 63.02(15) . . . . ?
B4 B8 B9 C2 -34.49(11) . . . . ?
B10 B8 B9 C2 -134.76(13) . . . . ?
B7 B8 B9 C2 -97.37(14) . . . . ?
C2 B8 B9 B10 134.76(13) . . . . ?
B4 B8 B9 B10 100.27(14) . . . . ?
B7 B8 B9 B10 37.39(13) . . . . ?
C2 B8 B9 B5 97.03(13) . . . . ?
B4 B8 B9 B5 62.54(16) . . . . ?
B10 B8 B9 B5 -37.73(13) . . . . ?
B7 B8 B9 B5 -0.34(17) . . . . ?
C2 B8 B9 B1 33.80(11) . . . . ?
B4 B8 B9 B1 -0.68(16) . . . . ?
B10 B8 B9 B1 -100.95(14) . . . . ?
B7 B8 B9 B1 -63.56(16) . . . . ?
C2 B9 B10 B6 -62.45(17) . . . . ?
B5 B9 B10 B6 36.97(13) . . . . ?
B1 B9 B10 B6 -0.23(19) . . . . ?
B8 B9 B10 B6 -101.29(16) . . . . ?
C2 B9 B10 B8 38.84(12) . . . . ?
B5 B9 B10 B8 138.26(14) . . . . ?
B1 B9 B10 B8 101.06(14) . . . . ?
C2 B9 B10 B7 1.38(17) . . . . ?
B5 B9 B10 B7 100.79(15) . . . . ?
B1 B9 B10 B7 63.60(17) . . . . ?
B8 B9 B10 B7 -37.47(13) . . . . ?
C2 B9 B10 B5 -99.42(14) . . . . ?
B1 B9 B10 B5 -37.20(13) . . . . ?
B8 B9 B10 B5 -138.26(14) . . . . ?
B2 B6 B10 B9 0.85(19) . . . . ?
B5 B6 B10 B9 -36.92(13) . . . . ?
B3 B6 B10 B9 64.08(18) . . . . ?
B7 B6 B10 B9 101.31(15) . . . . ?
B2 B6 B10 B8 -62.86(18) . . . . ?
B5 B6 B10 B8 -100.62(14) . . . . ?
B3 B6 B10 B8 0.38(18) . . . . ?
B7 B6 B10 B8 37.61(13) . . . . ?
B2 B6 B10 B7 -100.46(15) . . . . ?
B5 B6 B10 B7 -138.23(13) . . . . ?
B3 B6 B10 B7 -37.22(13) . . . . ?
B2 B6 B10 B5 37.77(13) . . . . ?
B3 B6 B10 B5 101.00(14) . . . . ?
B7 B6 B10 B5 138.23(13) . . . . ?
C2 B8 B10 B9 -38.98(12) . . . . ?
B4 B8 B10 B9 -101.22(14) . . . . ?
B7 B8 B10 B9 -138.20(14) . . . . ?
C2 B8 B10 B6 61.48(17) . . . . ?
B4 B8 B10 B6 -0.75(18) . . . . ?
B7 B8 B10 B6 -37.74(13) . . . . ?
B9 B8 B10 B6 100.46(15) . . . . ?
C2 B8 B10 B7 99.21(14) . . . . ?
B4 B8 B10 B7 36.98(13) . . . . ?
B9 B8 B10 B7 138.20(14) . . . . ?
C2 B8 B10 B5 -1.80(18) . . . . ?
B4 B8 B10 B5 -64.03(17) . . . . ?
B7 B8 B10 B5 -101.01(15) . . . . ?
B9 B8 B10 B5 37.18(13) . . . . ?
B4 B7 B10 B9 0.16(18) . . . . ?
B3 B7 B10 B9 -63.17(17) . . . . ?
B8 B7 B10 B9 37.54(13) . . . . ?
B6 B7 B10 B9 -100.49(15) . . . . ?
B4 B7 B10 B6 100.65(14) . . . . ?
B3 B7 B10 B6 37.33(12) . . . . ?
B8 B7 B10 B6 138.03(13) . . . . ?
B4 B7 B10 B8 -37.38(13) . . . . ?
B3 B7 B10 B8 -100.71(14) . . . . ?
B6 B7 B10 B8 -138.03(13) . . . . ?
B4 B7 B10 B5 63.35(16) . . . . ?
B3 B7 B10 B5 0.03(17) . . . . ?
B8 B7 B10 B5 100.74(14) . . . . ?
B6 B7 B10 B5 -37.30(12) . . . . ?
B1 B5 B10 B9 37.42(13) . . . . ?
B2 B5 B10 B9 101.03(13) . . . . ?
B6 B5 B10 B9 138.51(14) . . . . ?
B1 B5 B10 B6 -101.09(15) . . . . ?
B9 B5 B10 B6 -138.51(14) . . . . ?
B2 B5 B10 B6 -37.47(12) . . . . ?
B1 B5 B10 B8 -0.01(19) . . . . ?
B9 B5 B10 B8 -37.42(13) . . . . ?
B2 B5 B10 B8 63.61(16) . . . . ?
B6 B5 B10 B8 101.08(15) . . . . ?
B1 B5 B10 B7 -63.55(16) . . . . ?
B9 B5 B10 B7 -100.97(14) . . . . ?
B2 B5 B10 B7 0.07(17) . . . . ?
B6 B5 B10 B7 37.54(12) . . . . ?
C43 C31 C32 B41 -144.92(14) . . . . ?
B35 C31 C32 B41 0.89(18) . . . . ?
B34 C31 C32 B41 67.68(17) . . . . ?
B36 C31 C32 B41 -38.44(13) . . . . ?
B33 C31 C32 B41 107.24(15) . . . . ?
C43 C31 C32 B36 -106.48(14) . . . . ?
B35 C31 C32 B36 39.33(13) . . . . ?
B34 C31 C32 B36 106.12(14) . . . . ?
B33 C31 C32 B36 145.68(13) . . . . ?
C43 C31 C32 B40 146.50(14) . . . . ?
B35 C31 C32 B40 -67.69(17) . . . . ?
B34 C31 C32 B40 -0.90(18) . . . . ?
B36 C31 C32 B40 -107.02(15) . . . . ?
B33 C31 C32 B40 38.65(13) . . . . ?
C43 C31 C32 B33 107.84(15) . . . . ?
B35 C31 C32 B33 -106.34(14) . . . . ?
B34 C31 C32 B33 -39.56(13) . . . . ?
B36 C31 C32 B33 -145.68(13) . . . . ?
C32 C31 C43 C44 -125.59(15) . . . . ?
B35 C31 C43 C44 93.0(2) . . . . ?
B34 C31 C43 C44 17.1(2) . . . . ?
B36 C31 C43 C44 165.23(15) . . . . ?
B33 C31 C43 C44 -55.83(19) . . . . ?
C32 C31 C43 C48 55.6(2) . . . . ?
B35 C31 C43 C48 -85.8(2) . . . . ?
B34 C31 C43 C48 -161.71(17) . . . . ?
B36 C31 C43 C48 -13.6(2) . . . . ?
B33 C31 C43 C48 125.36(17) . . . . ?
C48 C43 C44 C45 1.4(2) . . . . ?
C31 C43 C44 C45 -177.46(14) . . . . ?
C43 C44 C45 C46 -0.2(2) . . . . ?
C44 C45 C46 C47 -0.8(2) . . . . ?
C44 C45 C46 C49 177.70(14) . . . . ?
C45 C46 C47 C48 0.6(3) . . . . ?
C49 C46 C47 C48 -178.03(17) . . . . ?
C46 C47 C48 C43 0.7(3) . . . . ?
C44 C43 C48 C47 -1.6(3) . . . . ?
C31 C43 C48 C47 177.20(16) . . . . ?
C47 C46 C49 N53 30.6(2) . . . . ?
C45 C46 C49 N53 -147.89(16) . . . . ?
C47 C46 C49 N50 -148.59(16) . . . . ?
C45 C46 C49 N50 32.9(2) . . . . ?
C59 C54 C55 C56 0.2(3) . . . . ?
N50 C54 C55 C56 -178.0(2) . . . . ?
C54 C55 C56 C57 -0.4(4) . . . . ?
C55 C56 C57 C58 0.6(4) . . . . ?
C56 C57 C58 C59 -0.6(4) . . . . ?
C55 C54 C59 C58 -0.2(3) . . . . ?
N50 C54 C59 C58 177.99(18) . . . . ?
C57 C58 C59 C54 0.4(4) . . . . ?
N53 C49 N50 N51 -0.46(17) . . . . ?
C46 C49 N50 N51 178.85(13) . . . . ?
N53 C49 N50 C54 -172.41(15) . . . . ?
C46 C49 N50 C54 6.9(3) . . . . ?
C55 C54 N50 C49 68.5(2) . . . . ?
C59 C54 N50 C49 -109.8(2) . . . . ?
C55 C54 N50 N51 -102.73(19) . . . . ?
C59 C54 N50 N51 79.0(2) . . . . ?
N53 C52 N51 N50 0.28(18) . . . . ?
C60 C52 N51 N50 -179.30(15) . . . . ?
C49 N50 N51 C52 0.11(17) . . . . ?
C54 N50 N51 C52 172.93(14) . . . . ?
N50 C49 N53 C52 0.59(17) . . . . ?
C46 C49 N53 C52 -178.74(14) . . . . ?
N51 C52 N53 C49 -0.55(18) . . . . ?
C60 C52 N53 C49 179.03(15) . . . . ?
B41 C32 B33 C31 -103.47(16) . . . . ?
B36 C32 B33 C31 -33.33(12) . . . . ?
B40 C32 B33 C31 -139.48(13) . . . . ?
C31 C32 B33 B39 99.44(14) . . . . ?
B41 C32 B33 B39 -4.0(2) . . . . ?
B36 C32 B33 B39 66.11(17) . . . . ?
B40 C32 B33 B39 -40.04(13) . . . . ?
C31 C32 B33 B34 36.93(11) . . . . ?
B41 C32 B33 B34 -66.53(18) . . . . ?
B36 C32 B33 B34 3.61(17) . . . . ?
B40 C32 B33 B34 -102.54(14) . . . . ?
C31 C32 B33 B40 139.48(13) . . . . ?
B41 C32 B33 B40 36.01(16) . . . . ?
B36 C32 B33 B40 106.15(15) . . . . ?
C43 C31 B33 C32 -108.26(14) . . . . ?
B35 C31 B33 C32 100.26(16) . . . . ?
B34 C31 B33 C32 137.08(13) . . . . ?
B36 C31 B33 C32 32.19(13) . . . . ?
C43 C31 B33 B39 154.50(13) . . . . ?
C32 C31 B33 B39 -97.24(14) . . . . ?
B35 C31 B33 B39 3.02(19) . . . . ?
B34 C31 B33 B39 39.83(13) . . . . ?
B36 C31 B33 B39 -65.05(17) . . . . ?
C43 C31 B33 B34 114.66(15) . . . . ?
C32 C31 B33 B34 -137.08(13) . . . . ?
B35 C31 B33 B34 -36.81(16) . . . . ?
B36 C31 B33 B34 -104.89(15) . . . . ?
C43 C31 B33 B40 -143.29(13) . . . . ?
C32 C31 B33 B40 -35.03(12) . . . . ?
B35 C31 B33 B40 65.23(18) . . . . ?
B34 C31 B33 B40 102.05(15) . . . . ?
B36 C31 B33 B40 -2.84(17) . . . . ?
C43 C31 B34 B33 -106.38(16) . . . . ?
C32 C31 B34 B33 39.05(13) . . . . ?
B35 C31 B34 B33 141.65(15) . . . . ?
B36 C31 B34 B33 104.47(15) . . . . ?
C43 C31 B34 B38 151.48(14) . . . . ?
C32 C31 B34 B38 -63.10(17) . . . . ?
B35 C31 B34 B38 39.51(14) . . . . ?
B36 C31 B34 B38 2.33(19) . . . . ?
B33 C31 B34 B38 -102.14(15) . . . . ?
C43 C31 B34 B35 111.97(17) . . . . ?
C32 C31 B34 B35 -102.60(15) . . . . ?
B36 C31 B34 B35 -37.18(15) . . . . ?
B33 C31 B34 B35 -141.65(15) . . . . ?
C43 C31 B34 B39 -145.94(14) . . . . ?
C32 C31 B34 B39 -0.51(18) . . . . ?
B35 C31 B34 B39 102.09(17) . . . . ?
B36 C31 B34 B39 64.91(18) . . . . ?
B33 C31 B34 B39 -39.56(13) . . . . ?
C32 B33 B34 C31 -36.23(11) . . . . ?
B39 B33 B34 C31 -134.75(14) . . . . ?
B40 B33 B34 C31 -97.24(14) . . . . ?
C32 B33 B34 B38 61.38(16) . . . . ?
C31 B33 B34 B38 97.61(15) . . . . ?
B39 B33 B34 B38 -37.14(13) . . . . ?
B40 B33 B34 B38 0.37(19) . . . . ?
C32 B33 B34 B35 -2.35(17) . . . . ?
C31 B33 B34 B35 33.88(12) . . . . ?
B39 B33 B34 B35 -100.87(15) . . . . ?
B40 B33 B34 B35 -63.36(17) . . . . ?
C32 B33 B34 B39 98.52(14) . . . . ?
C31 B33 B34 B39 134.75(14) . . . . ?
B40 B33 B34 B39 37.51(13) . . . . ?
C43 C31 B35 B36 105.49(16) . . . . ?
C32 C31 B35 B36 -38.70(13) . . . . ?
B34 C31 B35 B36 -140.97(14) . . . . ?
B33 C31 B35 B36 -104.40(15) . . . . ?
C43 C31 B35 B37 144.75(14) . . . . ?
C32 C31 B35 B37 0.56(18) . . . . ?
B34 C31 B35 B37 -101.71(15) . . . . ?
B36 C31 B35 B37 39.26(14) . . . . ?
B33 C31 B35 B37 -65.14(18) . . . . ?
C43 C31 B35 B34 -113.54(16) . . . . ?
C32 C31 B35 B34 102.27(14) . . . . ?
B36 C31 B35 B34 140.97(14) . . . . ?
B33 C31 B35 B34 36.57(14) . . . . ?
C43 C31 B35 B38 -152.71(15) . . . . ?
C32 C31 B35 B38 63.10(19) . . . . ?
B34 C31 B35 B38 -39.17(15) . . . . ?
B36 C31 B35 B38 101.80(18) . . . . ?
B33 C31 B35 B38 -2.6(2) . . . . ?
B33 B34 B35 C31 -34.17(12) . . . . ?
B38 B34 B35 C31 -135.06(15) . . . . ?
B39 B34 B35 C31 -97.44(15) . . . . ?
C31 B34 B35 B36 34.68(12) . . . . ?
B33 B34 B35 B36 0.51(18) . . . . ?
B38 B34 B35 B36 -100.38(16) . . . . ?
B39 B34 B35 B36 -62.75(17) . . . . ?
C31 B34 B35 B37 97.45(16) . . . . ?
B33 B34 B35 B37 63.28(17) . . . . ?
B38 B34 B35 B37 -37.61(14) . . . . ?
B39 B34 B35 B37 0.01(19) . . . . ?
C31 B34 B35 B38 135.06(15) . . . . ?
B33 B34 B35 B38 100.89(15) . . . . ?
B39 B34 B35 B38 37.63(14) . . . . ?
B41 C32 B36 C31 139.80(14) . . . . ?
B40 C32 B36 C31 103.34(15) . . . . ?
B33 C32 B36 C31 33.34(12) . . . . ?
C31 C32 B36 B37 -99.37(17) . . . . ?
B41 C32 B36 B37 40.43(16) . . . . ?
B40 C32 B36 B37 4.0(2) . . . . ?
B33 C32 B36 B37 -66.02(19) . . . . ?
C31 C32 B36 B41 -139.80(14) . . . . ?
B40 C32 B36 B41 -36.46(15) . . . . ?
B33 C32 B36 B41 -106.45(15) . . . . ?
C31 C32 B36 B35 -36.65(12) . . . . ?
B41 C32 B36 B35 103.15(15) . . . . ?
B40 C32 B36 B35 66.69(18) . . . . ?
B33 C32 B36 B35 -3.30(18) . . . . ?
C43 C31 B36 C32 108.66(14) . . . . ?
B35 C31 B36 C32 -137.47(13) . . . . ?
B34 C31 B36 C32 -100.09(14) . . . . ?
B33 C31 B36 C32 -32.24(12) . . . . ?
C43 C31 B36 B37 -153.70(15) . . . . ?
C32 C31 B36 B37 97.63(16) . . . . ?
B35 C31 B36 B37 -39.83(15) . . . . ?
B34 C31 B36 B37 -2.5(2) . . . . ?
B33 C31 B36 B37 65.39(19) . . . . ?
C43 C31 B36 B41 143.47(14) . . . . ?
C32 C31 B36 B41 34.81(13) . . . . ?
B35 C31 B36 B41 -102.65(15) . . . . ?
B34 C31 B36 B41 -65.28(18) . . . . ?
B33 C31 B36 B41 2.57(18) . . . . ?
C43 C31 B36 B35 -113.87(14) . . . . ?
C32 C31 B36 B35 137.47(13) . . . . ?
B34 C31 B36 B35 37.38(14) . . . . ?
B33 C31 B36 B35 105.22(14) . . . . ?
C31 B35 B36 C32 36.07(11) . . . . ?
B37 B35 B36 C32 -98.78(15) . . . . ?
B34 B35 B36 C32 1.55(18) . . . . ?
B38 B35 B36 C32 -61.43(18) . . . . ?
B37 B35 B36 C31 -134.85(14) . . . . ?
B34 B35 B36 C31 -34.51(13) . . . . ?
B38 B35 B36 C31 -97.50(16) . . . . ?
C31 B35 B36 B37 134.85(14) . . . . ?
B34 B35 B36 B37 100.33(15) . . . . ?
B38 B35 B36 B37 37.35(15) . . . . ?
C31 B35 B36 B41 97.19(15) . . . . ?
B37 B35 B36 B41 -37.65(14) . . . . ?
B34 B35 B36 B41 62.68(18) . . . . ?
B38 B35 B36 B41 -0.3(2) . . . . ?
C32 B36 B37 B41 -39.52(14) . . . . ?
C31 B36 B37 B41 -99.22(16) . . . . ?
B35 B36 B37 B41 -138.19(15) . . . . ?
C32 B36 B37 B42 -2.3(2) . . . . ?
C31 B36 B37 B42 -62.0(2) . . . . ?
B41 B36 B37 B42 37.20(16) . . . . ?
B35 B36 B37 B42 -100.99(18) . . . . ?
C32 B36 B37 B35 98.67(15) . . . . ?
C31 B36 B37 B35 38.98(14) . . . . ?
B41 B36 B37 B35 138.19(15) . . . . ?
C32 B36 B37 B38 61.2(2) . . . . ?
C31 B36 B37 B38 1.5(2) . . . . ?
B41 B36 B37 B38 100.76(17) . . . . ?
B35 B36 B37 B38 -37.43(16) . . . . ?
C31 B35 B37 B36 -39.18(13) . . . . ?
B34 B35 B37 B36 -100.78(15) . . . . ?
B38 B35 B37 B36 -138.19(15) . . . . ?
C31 B35 B37 B41 -1.72(19) . . . . ?
B36 B35 B37 B41 37.46(14) . . . . ?
B34 B35 B37 B41 -63.32(18) . . . . ?
B38 B35 B37 B41 -100.73(16) . . . . ?
C31 B35 B37 B42 62.06(19) . . . . ?
B36 B35 B37 B42 101.24(17) . . . . ?
B34 B35 B37 B42 0.5(2) . . . . ?
B38 B35 B37 B42 -36.95(14) . . . . ?
C31 B35 B37 B38 99.01(15) . . . . ?
B36 B35 B37 B38 138.19(15) . . . . ?
B34 B35 B37 B38 37.41(14) . . . . ?
C31 B34 B38 B42 61.88(18) . . . . ?
B33 B34 B38 B42 -0.34(19) . . . . ?
B35 B34 B38 B42 100.62(17) . . . . ?
B39 B34 B38 B42 -37.36(13) . . . . ?
C31 B34 B38 B39 99.24(15) . . . . ?
B33 B34 B38 B39 37.02(13) . . . . ?
B35 B34 B38 B39 137.98(15) . . . . ?
C31 B34 B38 B35 -38.73(13) . . . . ?
B33 B34 B38 B35 -100.95(15) . . . . ?
B39 B34 B38 B35 -137.98(15) . . . . ?
C31 B34 B38 B37 -1.2(2) . . . . ?
B33 B34 B38 B37 -63.45(19) . . . . ?
B35 B34 B38 B37 37.51(15) . . . . ?
B39 B34 B38 B37 -100.47(16) . . . . ?
C31 B35 B38 B34 38.79(14) . . . . ?
B36 B35 B38 B34 100.82(15) . . . . ?
B37 B35 B38 B34 137.88(16) . . . . ?
C31 B35 B38 B42 -62.4(2) . . . . ?
B36 B35 B38 B42 -0.3(2) . . . . ?
B37 B35 B38 B42 36.71(15) . . . . ?
B34 B35 B38 B42 -101.17(16) . . . . ?
C31 B35 B38 B39 1.1(2) . . . . ?
B36 B35 B38 B39 63.1(2) . . . . ?
B37 B35 B38 B39 100.19(17) . . . . ?
B34 B35 B38 B39 -37.69(15) . . . . ?
C31 B35 B38 B37 -99.08(17) . . . . ?
B36 B35 B38 B37 -37.05(15) . . . . ?
B34 B35 B38 B37 -137.88(16) . . . . ?
B36 B37 B38 B34 -0.2(2) . . . . ?
B41 B37 B38 B34 63.37(19) . . . . ?
B42 B37 B38 B34 101.17(15) . . . . ?
B35 B37 B38 B34 -37.63(14) . . . . ?
B36 B37 B38 B42 -101.37(18) . . . . ?
B41 B37 B38 B42 -37.80(14) . . . . ?
B35 B37 B38 B42 -138.80(14) . . . . ?
B36 B37 B38 B39 -63.7(2) . . . . ?
B41 B37 B38 B39 -0.16(19) . . . . ?
B42 B37 B38 B39 37.63(13) . . . . ?
B35 B37 B38 B39 -101.17(15) . . . . ?
B36 B37 B38 B35 37.43(15) . . . . ?
B41 B37 B38 B35 101.00(15) . . . . ?
B42 B37 B38 B35 138.80(14) . . . . ?
C32 B33 B39 B40 39.40(13) . . . . ?
C31 B33 B39 B40 98.83(14) . . . . ?
B34 B33 B39 B40 137.89(15) . . . . ?
C32 B33 B39 B38 -61.57(18) . . . . ?
C31 B33 B39 B38 -2.15(19) . . . . ?
B34 B33 B39 B38 36.92(15) . . . . ?
B40 B33 B39 B38 -100.97(16) . . . . ?
C32 B33 B39 B42 1.87(18) . . . . ?
C31 B33 B39 B42 61.29(17) . . . . ?
B34 B33 B39 B42 100.36(16) . . . . ?
B40 B33 B39 B42 -37.53(14) . . . . ?
C32 B33 B39 B34 -98.49(14) . . . . ?
C31 B33 B39 B34 -39.07(13) . . . . ?
B40 B33 B39 B34 -137.89(15) . . . . ?
B34 B38 B39 B40 -100.58(14) . . . . ?
B42 B38 B39 B40 37.72(12) . . . . ?
B35 B38 B39 B40 -62.94(19) . . . . ?
B37 B38 B39 B40 0.24(18) . . . . ?
B34 B38 B39 B33 -36.98(14) . . . . ?
B42 B38 B39 B33 101.32(15) . . . . ?
B35 B38 B39 B33 0.7(2) . . . . ?
B37 B38 B39 B33 63.84(18) . . . . ?
B34 B38 B39 B42 -138.30(14) . . . . ?
B35 B38 B39 B42 -100.66(17) . . . . ?
B37 B38 B39 B42 -37.48(13) . . . . ?
B42 B38 B39 B34 138.30(14) . . . . ?
B35 B38 B39 B34 37.64(15) . . . . ?
B37 B38 B39 B34 100.82(15) . . . . ?
C31 B34 B39 B40 1.67(19) . . . . ?
B33 B34 B39 B40 -37.68(14) . . . . ?
B38 B34 B39 B40 100.84(16) . . . . ?
B35 B34 B39 B40 63.14(18) . . . . ?
C31 B34 B39 B33 39.35(13) . . . . ?
B38 B34 B39 B33 138.52(15) . . . . ?
B35 B34 B39 B33 100.82(14) . . . . ?
C31 B34 B39 B38 -99.17(16) . . . . ?
B33 B34 B39 B38 -138.52(15) . . . . ?
B35 B34 B39 B38 -37.70(14) . . . . ?
C31 B34 B39 B42 -61.95(18) . . . . ?
B33 B34 B39 B42 -101.30(15) . . . . ?
B38 B34 B39 B42 37.22(14) . . . . ?
B35 B34 B39 B42 -0.48(18) . . . . ?
C31 C32 B40 B39 1.91(18) . . . . ?
B41 C32 B40 B39 -102.87(16) . . . . ?
B36 C32 B40 B39 -66.40(18) . . . . ?
B33 C32 B40 B39 40.28(13) . . . . ?
C31 C32 B40 B41 104.78(16) . . . . ?
B36 C32 B40 B41 36.48(16) . . . . ?
B33 C32 B40 B41 143.15(15) . . . . ?
C31 C32 B40 B33 -38.37(13) . . . . ?
B41 C32 B40 B33 -143.15(15) . . . . ?
B36 C32 B40 B33 -106.68(16) . . . . ?
C31 C32 B40 B42 64.41(17) . . . . ?
B41 C32 B40 B42 -40.37(14) . . . . ?
B36 C32 B40 B42 -3.89(19) . . . . ?
B33 C32 B40 B42 102.78(15) . . . . ?
B33 B39 B40 C32 -39.67(12) . . . . ?
B38 B39 B40 C32 60.95(17) . . . . ?
B42 B39 B40 C32 98.56(15) . . . . ?
B34 B39 B40 C32 -2.14(19) . . . . ?
B33 B39 B40 B41 -100.84(14) . . . . ?
B38 B39 B40 B41 -0.22(18) . . . . ?
B42 B39 B40 B41 37.39(13) . . . . ?
B34 B39 B40 B41 -63.32(18) . . . . ?
B38 B39 B40 B33 100.62(14) . . . . ?
B42 B39 B40 B33 138.23(14) . . . . ?
B34 B39 B40 B33 37.52(14) . . . . ?
B33 B39 B40 B42 -138.23(14) . . . . ?
B38 B39 B40 B42 -37.61(13) . . . . ?
B34 B39 B40 B42 -100.71(15) . . . . ?
C31 B33 B40 C32 34.49(11) . . . . ?
B39 B33 B40 C32 133.81(14) . . . . ?
B34 B33 B40 C32 96.03(14) . . . . ?
C32 B33 B40 B39 -133.81(14) . . . . ?
C31 B33 B40 B39 -99.32(14) . . . . ?
B34 B33 B40 B39 -37.78(13) . . . . ?
C32 B33 B40 B41 -32.56(13) . . . . ?
C31 B33 B40 B41 1.93(18) . . . . ?
B39 B33 B40 B41 101.25(15) . . . . ?
B34 B33 B40 B41 63.47(17) . . . . ?
C32 B33 B40 B42 -96.29(15) . . . . ?
C31 B33 B40 B42 -61.80(17) . . . . ?
B39 B33 B40 B42 37.52(13) . . . . ?
B34 B33 B40 B42 -0.26(18) . . . . ?
C31 C32 B41 B40 -104.49(15) . . . . ?
B36 C32 B41 B40 -142.60(15) . . . . ?
B33 C32 B41 B40 -36.00(15) . . . . ?
C31 C32 B41 B36 38.11(13) . . . . ?
B40 C32 B41 B36 142.60(15) . . . . ?
B33 C32 B41 B36 106.60(16) . . . . ?
C31 C32 B41 B37 -1.92(18) . . . . ?
B36 C32 B41 B37 -40.04(14) . . . . ?
B40 C32 B41 B37 102.56(15) . . . . ?
B33 C32 B41 B37 66.56(19) . . . . ?
C31 C32 B41 B42 -64.04(19) . . . . ?
B36 C32 B41 B42 -102.16(18) . . . . ?
B40 C32 B41 B42 40.44(14) . . . . ?
B33 C32 B41 B42 4.4(2) . . . . ?
B39 B40 B41 C32 96.31(14) . . . . ?
B33 B40 B41 C32 32.69(13) . . . . ?
B42 B40 B41 C32 133.73(15) . . . . ?
C32 B40 B41 B36 -33.15(13) . . . . ?
B39 B40 B41 B36 63.17(18) . . . . ?
B33 B40 B41 B36 -0.5(2) . . . . ?
B42 B40 B41 B36 100.58(17) . . . . ?
C32 B40 B41 B37 -96.20(15) . . . . ?
B39 B40 B41 B37 0.12(18) . . . . ?
B33 B40 B41 B37 -63.51(17) . . . . ?
B42 B40 B41 B37 37.53(13) . . . . ?
C32 B40 B41 B42 -133.73(15) . . . . ?
B39 B40 B41 B42 -37.42(13) . . . . ?
B33 B40 B41 B42 -101.04(15) . . . . ?
C31 B36 B41 C32 -34.37(12) . . . . ?
B37 B36 B41 C32 -133.74(15) . . . . ?
B35 B36 B41 C32 -95.99(15) . . . . ?
C32 B36 B41 B40 33.16(13) . . . . ?
C31 B36 B41 B40 -1.22(19) . . . . ?
B37 B36 B41 B40 -100.58(17) . . . . ?
B35 B36 B41 B40 -62.83(19) . . . . ?
C32 B36 B41 B37 133.74(15) . . . . ?
C31 B36 B41 B37 99.36(16) . . . . ?
B35 B36 B41 B37 37.74(15) . . . . ?
C32 B36 B41 B42 96.83(15) . . . . ?
C31 B36 B41 B42 62.46(18) . . . . ?
B37 B36 B41 B42 -36.90(15) . . . . ?
B35 B36 B41 B42 0.8(2) . . . . ?
B36 B37 B41 C32 39.63(13) . . . . ?
B42 B37 B41 C32 -99.04(15) . . . . ?
B35 B37 B41 C32 2.19(19) . . . . ?
B38 B37 B41 C32 -61.34(18) . . . . ?
B36 B37 B41 B40 100.99(15) . . . . ?
B42 B37 B41 B40 -37.67(13) . . . . ?
B35 B37 B41 B40 63.56(18) . . . . ?
B38 B37 B41 B40 0.03(19) . . . . ?
B42 B37 B41 B36 -138.66(15) . . . . ?
B35 B37 B41 B36 -37.44(14) . . . . ?
B38 B37 B41 B36 -100.96(16) . . . . ?
B36 B37 B41 B42 138.66(15) . . . . ?
B35 B37 B41 B42 101.23(17) . . . . ?
B38 B37 B41 B42 37.70(13) . . . . ?
B36 B37 B42 B38 100.66(19) . . . . ?
B41 B37 B42 B38 137.81(14) . . . . ?
B35 B37 B42 B38 36.98(15) . . . . ?
B36 B37 B42 B41 -37.15(16) . . . . ?
B35 B37 B42 B41 -100.83(15) . . . . ?
B38 B37 B42 B41 -137.81(14) . . . . ?
B36 B37 B42 B40 0.1(2) . . . . ?
B41 B37 B42 B40 37.27(14) . . . . ?
B35 B37 B42 B40 -63.6(2) . . . . ?
B38 B37 B42 B40 -100.54(16) . . . . ?
B36 B37 B42 B39 62.9(2) . . . . ?
B41 B37 B42 B39 100.08(15) . . . . ?
B35 B37 B42 B39 -0.8(2) . . . . ?
B38 B37 B42 B39 -37.73(14) . . . . ?
B34 B38 B42 B37 -100.34(15) . . . . ?
B39 B38 B42 B37 -137.78(14) . . . . ?
B35 B38 B42 B37 -36.76(14) . . . . ?
B34 B38 B42 B41 -62.72(19) . . . . ?
B39 B38 B42 B41 -100.16(15) . . . . ?
B35 B38 B42 B41 0.9(2) . . . . ?
B37 B38 B42 B41 37.62(14) . . . . ?
B34 B38 B42 B40 0.17(19) . . . . ?
B39 B38 B42 B40 -37.27(13) . . . . ?
B35 B38 B42 B40 63.75(19) . . . . ?
B37 B38 B42 B40 100.51(15) . . . . ?
B34 B38 B42 B39 37.44(13) . . . . ?
B35 B38 B42 B39 101.02(16) . . . . ?
B37 B38 B42 B39 137.78(14) . . . . ?
C32 B41 B42 B37 98.21(17) . . . . ?
B40 B41 B42 B37 137.95(15) . . . . ?
B36 B41 B42 B37 36.77(15) . . . . ?
C32 B41 B42 B38 60.39(19) . . . . ?
B40 B41 B42 B38 100.13(16) . . . . ?
B36 B41 B42 B38 -1.1(2) . . . . ?
B37 B41 B42 B38 -37.82(15) . . . . ?
C32 B41 B42 B40 -39.74(14) . . . . ?
B36 B41 B42 B40 -101.18(15) . . . . ?
B37 B41 B42 B40 -137.95(15) . . . . ?
C32 B41 B42 B39 -2.9(2) . . . . ?
B40 B41 B42 B39 36.83(14) . . . . ?
B36 B41 B42 B39 -64.35(19) . . . . ?
B37 B41 B42 B39 -101.12(16) . . . . ?
C32 B40 B42 B37 2.1(2) . . . . ?
B39 B40 B42 B37 101.03(17) . . . . ?
B41 B40 B42 B37 -37.38(16) . . . . ?
B33 B40 B42 B37 63.60(19) . . . . ?
C32 B40 B42 B38 -61.41(17) . . . . ?
B39 B40 B42 B38 37.48(13) . . . . ?
B41 B40 B42 B38 -100.93(16) . . . . ?
B33 B40 B42 B38 0.06(19) . . . . ?
C32 B40 B42 B41 39.52(14) . . . . ?
B39 B40 B42 B41 138.41(15) . . . . ?
B33 B40 B42 B41 100.98(15) . . . . ?
C32 B40 B42 B39 -98.89(14) . . . . ?
B41 B40 B42 B39 -138.41(15) . . . . ?
B33 B40 B42 B39 -37.43(13) . . . . ?
B40 B39 B42 B37 -100.04(15) . . . . ?
B33 B39 B42 B37 -62.53(18) . . . . ?
B38 B39 B42 B37 37.87(14) . . . . ?
B34 B39 B42 B37 0.76(19) . . . . ?
B40 B39 B42 B38 -137.91(13) . . . . ?
B33 B39 B42 B38 -100.40(15) . . . . ?
B34 B39 B42 B38 -37.11(13) . . . . ?
B40 B39 B42 B41 -36.87(14) . . . . ?
B33 B39 B42 B41 0.6(2) . . . . ?
B38 B39 B42 B41 101.04(16) . . . . ?
B34 B39 B42 B41 63.93(19) . . . . ?
B33 B39 B42 B40 37.52(13) . . . . ?
B38 B39 B42 B40 137.91(13) . . . . ?
B34 B39 B42 B40 100.80(14) . . . . ?
