#------------------------------------------------------------------------------
#$Date: 2019-06-21 12:14:49 +0300 (Fri, 21 Jun 2019) $
#$Revision: 216469 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/18/1551848.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_1551848
loop_
_publ_author_name
'Yoshiaki Shoji'
'Naoki Tanaka'
'Koichiro Mikami'
'Masanobu Uchiyama'
'Takanori Fukushima'
_publ_section_title
;
 A two-coordinate boron cation featuring C-B+-C bonding
;
_journal_name_full               'Nature Chemistry'
_journal_page_first              498
_journal_page_last               503
_journal_paper_doi               10.1038/nchem.1948
_journal_volume                  6
_journal_year                    2014
_chemical_formula_moiety         'C H B11 Cl11, C18 H22 B'
_chemical_formula_sum            'C19 H23 B12 Cl11'
_chemical_formula_weight         771.09
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 101.8220(10)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   16.1901(18)
_cell_length_b                   10.0100(11)
_cell_length_c                   21.240(3)
_cell_measurement_temperature    90
_cell_volume                     3369.2(7)
_computing_cell_refinement       Unknown
_computing_data_collection       Unknown
_computing_data_reduction        Unknown
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      90
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0211
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            15659
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_standards_interval_count .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.921
_exptl_absorpt_correction_T_max  0.922
_exptl_absorpt_correction_T_min  0.897
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.520
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1536.00
_exptl_crystal_size_max          0.121
_exptl_crystal_size_mid          0.044
_exptl_crystal_size_min          0.034
_refine_diff_density_max         0.340
_refine_diff_density_min         -0.300
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     383
_refine_ls_number_reflns         5903
_refine_ls_number_restraints     14
_refine_ls_R_factor_gt           0.0249
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0281P)²+1.8099P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0623
_reflns_number_gt                5009
_reflns_number_total             5903
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            nchem.1948-s2.cif
_cod_data_source_block           Mes2B+_Cl11_1
_cod_original_cell_volume        3369.3(7)
_cod_database_code               1551848
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 1/2-X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 1/2+X,1/2-Y,1/2+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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl1 Cl 0.67162(3) 0.72597(5) 0.70668(2) 0.02153(11) Uani 1.0 4 d . . .
Cl2 Cl 0.64461(3) 0.97497(5) 0.58259(2) 0.02175(11) Uani 1.0 4 d . . .
Cl3 Cl 0.83323(3) 1.17253(5) 0.60740(2) 0.02144(11) Uani 1.0 4 d . . .
Cl4 Cl 0.97749(3) 1.04264(5) 0.74465(2) 0.01914(11) Uani 1.0 4 d . . .
Cl5 Cl 0.87351(3) 0.77104(5) 0.80693(2) 0.02182(11) Uani 1.0 4 d . . .
Cl6 Cl 0.69685(3) 0.62615(5) 0.54475(2) 0.02450(12) Uani 1.0 4 d . . .
Cl7 Cl 0.79875(3) 0.90839(5) 0.47915(2) 0.02400(12) Uani 1.0 4 d . . .
Cl8 Cl 1.00944(3) 0.95404(5) 0.58180(2) 0.02117(11) Uani 1.0 4 d . . .
Cl9 Cl 1.03797(3) 0.70226(5) 0.70854(2) 0.01879(11) Uani 1.0 4 d . . .
Cl10 Cl 0.84189(3) 0.49828(5) 0.68685(2) 0.02259(12) Uani 1.0 4 d . . .
Cl11 Cl 0.92431(3) 0.61396(5) 0.54656(2) 0.02418(12) Uani 1.0 4 d . . .
C1 C 0.71543(12) 0.4690(2) 0.39147(9) 0.0201(4) Uani 1.0 4 d . . .
C2 C 0.73993(13) 0.3469(2) 0.42501(10) 0.0228(5) Uani 1.0 4 d . . .
C3 C 0.68376(12) 0.2872(2) 0.45728(9) 0.0218(5) Uani 1.0 4 d . . .
C4 C 0.60453(12) 0.3428(2) 0.45711(9) 0.0204(5) Uani 1.0 4 d . . .
C5 C 0.58180(12) 0.4621(2) 0.42459(9) 0.0201(5) Uani 1.0 4 d . . .
C6 C 0.63656(12) 0.5295(2) 0.39353(9) 0.0197(5) Uani 1.0 4 d . . .
C7 C 0.82474(14) 0.2859(3) 0.42520(12) 0.0357(6) Uani 1.0 4 d . . .
C8 C 0.54584(13) 0.2758(3) 0.49354(11) 0.0278(5) Uani 1.0 4 d . . .
C9 C 0.61574(13) 0.6661(2) 0.36572(10) 0.0253(5) Uani 1.0 4 d . . .
C10 C 0.81236(12) 0.55931(19) 0.29831(9) 0.0194(4) Uani 1.0 4 d . . .
C11 C 0.89277(12) 0.62305(19) 0.31485(9) 0.0192(5) Uani 1.0 4 d . . .
C12 C 0.93998(12) 0.63599(19) 0.26827(10) 0.0207(5) Uani 1.0 4 d . . .
C13 C 0.91122(12) 0.5885(2) 0.20589(10) 0.0216(5) Uani 1.0 4 d . . .
C14 C 0.83077(12) 0.5322(2) 0.18937(10) 0.0228(5) Uani 1.0 4 d . . .
C15 C 0.78057(12) 0.5160(2) 0.23370(10) 0.0211(5) Uani 1.0 4 d . . .
C16 C 0.92673(14) 0.6688(3) 0.38253(10) 0.0282(5) Uani 1.0 4 d . . .
C17 C 0.96815(14) 0.5910(3) 0.15836(11) 0.0334(6) Uani 1.0 4 d . . .
C18 C 0.69453(13) 0.4535(3) 0.21516(11) 0.0321(6) Uani 1.0 4 d . . .
C19 C 0.80255(12) 0.93188(19) 0.68637(9) 0.0141(4) Uani 1.0 4 d . . .
B1 B 0.76609(14) 0.5220(3) 0.34773(11) 0.0203(4) Uani 1.0 4 d . . .
B2 B 0.75769(14) 0.7768(2) 0.67281(10) 0.0157(5) Uani 1.0 4 d . . .
B3 B 0.74398(13) 0.9000(2) 0.61075(10) 0.0160(5) Uani 1.0 4 d . . .
B4 B 0.83841(14) 0.9989(2) 0.62237(10) 0.0158(5) Uani 1.0 4 d . . .
B5 B 0.90964(13) 0.9348(2) 0.69135(10) 0.0147(5) Uani 1.0 4 d . . .
B6 B 0.85967(13) 0.7981(2) 0.72308(10) 0.0152(5) Uani 1.0 4 d . . .
B7 B 0.77040(14) 0.7325(2) 0.59447(10) 0.0162(5) Uani 1.0 4 d . . .
B8 B 0.82041(14) 0.8702(3) 0.56323(10) 0.0169(5) Uani 1.0 4 d . . .
B9 B 0.92304(13) 0.8924(3) 0.61296(10) 0.0158(5) Uani 1.0 4 d . . .
B10 B 0.93645(13) 0.7683(2) 0.67531(10) 0.0145(5) Uani 1.0 4 d . . .
B11 B 0.84211(14) 0.6690(2) 0.66417(10) 0.0166(5) Uani 1.0 4 d . . .
B12 B 0.88107(14) 0.7272(2) 0.59580(10) 0.0165(5) Uani 1.0 4 d . . .
H1 H 0.7818(12) 0.988(2) 0.7110(10) 0.013(5) Uiso 1.0 4 d . . .
H3 H 0.6994 0.2064 0.4801 0.0262 Uiso 1.0 4 calc R . .
H5 H 0.5273 0.4982 0.4237 0.0241 Uiso 1.0 4 calc R . .
H7A H 0.8292 0.2000 0.4478 0.0428 Uiso 1.0 4 calc R . .
H7B H 0.8692 0.3461 0.4471 0.0428 Uiso 1.0 4 calc R . .
H7C H 0.8312 0.2718 0.3808 0.0428 Uiso 1.0 4 calc R . .
H8A H 0.5614 0.3007 0.5391 0.0334 Uiso 1.0 4 calc R . .
H8B H 0.5500 0.1787 0.4893 0.0334 Uiso 1.0 4 calc R . .
H8C H 0.4878 0.3045 0.4760 0.0334 Uiso 1.0 4 calc R . .
H9A H 0.5547 0.6733 0.3497 0.0304 Uiso 1.0 4 calc R . .
H9B H 0.6450 0.6806 0.3302 0.0304 Uiso 1.0 4 calc R . .
H9C H 0.6340 0.7336 0.3991 0.0304 Uiso 1.0 4 calc R . .
H12 H 0.9935 0.6784 0.2788 0.0249 Uiso 1.0 4 calc R . .
H14 H 0.8102 0.5044 0.1462 0.0274 Uiso 1.0 4 calc R . .
H16A H 0.8801 0.6789 0.4052 0.0338 Uiso 1.0 4 calc R . .
H16B H 0.9554 0.7548 0.3817 0.0338 Uiso 1.0 4 calc R . .
H16C H 0.9668 0.6025 0.4049 0.0338 Uiso 1.0 4 calc R . .
H17A H 0.9360 0.5657 0.1158 0.0401 Uiso 1.0 4 calc R . .
H17B H 1.0146 0.5277 0.1718 0.0401 Uiso 1.0 4 calc R . .
H17C H 0.9910 0.6812 0.1564 0.0401 Uiso 1.0 4 calc R . .
H18A H 0.6512 0.5217 0.2156 0.0386 Uiso 1.0 4 calc R . .
H18B H 0.6889 0.3827 0.2459 0.0386 Uiso 1.0 4 calc R . .
H18C H 0.6874 0.4153 0.1719 0.0386 Uiso 1.0 4 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
B B 0.0013 0.0007
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(1992, 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_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
C2 C1 C6 120.53(19) yes . . .
C2 C1 B1 119.55(19) yes . . .
C6 C1 B1 119.37(18) yes . . .
C1 C2 C3 118.27(19) yes . . .
C1 C2 C7 120.6(2) yes . . .
C3 C2 C7 121.13(19) yes . . .
C2 C3 C4 121.55(19) yes . . .
C3 C4 C5 119.51(19) yes . . .
C3 C4 C8 119.91(18) yes . . .
C5 C4 C8 120.56(18) yes . . .
C4 C5 C6 121.67(19) yes . . .
C1 C6 C5 118.30(18) yes . . .
C1 C6 C9 120.44(19) yes . . .
C5 C6 C9 121.18(19) yes . . .
C11 C10 C15 120.15(19) yes . . .
C11 C10 B1 120.98(17) yes . . .
C15 C10 B1 118.43(18) yes . . .
C10 C11 C12 118.59(17) yes . . .
C10 C11 C16 120.56(19) yes . . .
C12 C11 C16 120.79(18) yes . . .
C11 C12 C13 121.66(18) yes . . .
C12 C13 C14 119.3(2) yes . . .
C12 C13 C17 120.13(18) yes . . .
C14 C13 C17 120.52(19) yes . . .
C13 C14 C15 121.86(19) yes . . .
C10 C15 C14 118.34(18) yes . . .
C10 C15 C18 120.6(2) yes . . .
C14 C15 C18 121.06(19) yes . . .
B2 C19 B3 62.70(12) yes . . .
B2 C19 B4 114.88(15) yes . . .
B2 C19 B5 114.47(15) yes . . .
B2 C19 B6 62.68(12) yes . . .
B3 C19 B4 62.93(12) yes . . .
B3 C19 B5 114.69(16) yes . . .
B3 C19 B6 114.92(15) yes . . .
B4 C19 B5 62.71(13) yes . . .
B4 C19 B6 115.12(16) yes . . .
B5 C19 B6 62.79(12) yes . . .
C1 B1 C10 172.1(2) yes . . .
Cl1 B2 C19 122.30(15) yes . . .
Cl1 B2 B3 120.64(14) yes . . .
Cl1 B2 B6 120.01(14) yes . . .
Cl1 B2 B7 124.19(14) yes . . .
Cl1 B2 B11 123.58(15) yes . . .
C19 B2 B3 58.82(12) yes . . .
C19 B2 B6 58.86(12) yes . . .
C19 B2 B7 104.92(16) yes . . .
C19 B2 B11 104.99(16) yes . . .
B3 B2 B6 108.58(15) yes . . .
B3 B2 B7 60.08(12) yes . . .
B3 B2 B11 108.95(16) yes . . .
B6 B2 B7 108.66(17) yes . . .
B6 B2 B11 59.92(12) yes . . .
B7 B2 B11 60.85(13) yes . . .
Cl2 B3 C19 121.86(15) yes . . .
Cl2 B3 B2 120.71(15) yes . . .
Cl2 B3 B4 120.26(14) yes . . .
Cl2 B3 B7 124.93(14) yes . . .
Cl2 B3 B8 124.90(14) yes . . .
C19 B3 B2 58.48(12) yes . . .
C19 B3 B4 58.55(12) yes . . .
C19 B3 B7 104.32(14) yes . . .
C19 B3 B8 104.30(14) yes . . .
B2 B3 B4 107.80(14) yes . . .
B2 B3 B7 59.64(12) yes . . .
B2 B3 B8 107.92(15) yes . . .
B4 B3 B7 108.29(16) yes . . .
B4 B3 B8 59.85(13) yes . . .
B7 B3 B8 60.55(13) yes . . .
Cl3 B4 C19 120.99(15) yes . . .
Cl3 B4 B3 120.67(14) yes . . .
Cl3 B4 B5 119.97(14) yes . . .
Cl3 B4 B8 126.16(14) yes . . .
Cl3 B4 B9 125.37(16) yes . . .
C19 B4 B3 58.52(12) yes . . .
C19 B4 B5 58.52(12) yes . . .
C19 B4 B8 104.03(15) yes . . .
C19 B4 B9 104.33(15) yes . . .
B3 B4 B5 107.65(15) yes . . .
B3 B4 B8 59.52(13) yes . . .
B3 B4 B9 107.94(15) yes . . .
B5 B4 B8 107.66(15) yes . . .
B5 B4 B9 59.65(12) yes . . .
B8 B4 B9 60.39(12) yes . . .
Cl4 B5 C19 122.40(15) yes . . .
Cl4 B5 B4 121.07(14) yes . . .
Cl4 B5 B6 119.58(14) yes . . .
Cl4 B5 B9 124.48(15) yes . . .
Cl4 B5 B10 123.43(13) yes . . .
C19 B5 B4 58.77(12) yes . . .
C19 B5 B6 58.74(12) yes . . .
C19 B5 B9 104.74(14) yes . . .
C19 B5 B10 104.84(15) yes . . .
B4 B5 B6 108.51(14) yes . . .
B4 B5 B9 59.94(12) yes . . .
B4 B5 B10 108.79(14) yes . . .
B6 B5 B9 108.78(15) yes . . .
B6 B5 B10 60.07(13) yes . . .
B9 B5 B10 60.84(13) yes . . .
Cl5 B6 C19 121.38(15) yes . . .
Cl5 B6 B2 119.62(15) yes . . .
Cl5 B6 B5 121.48(13) yes . . .
Cl5 B6 B10 125.98(13) yes . . .
Cl5 B6 B11 124.40(14) yes . . .
C19 B6 B2 58.46(11) yes . . .
C19 B6 B5 58.46(12) yes . . .
C19 B6 B10 104.19(15) yes . . .
C19 B6 B11 104.65(14) yes . . .
B2 B6 B5 107.46(14) yes . . .
B2 B6 B10 107.85(15) yes . . .
B2 B6 B11 59.88(12) yes . . .
B5 B6 B10 59.49(13) yes . . .
B5 B6 B11 108.04(16) yes . . .
B10 B6 B11 60.55(13) yes . . .
Cl6 B7 B2 121.01(16) yes . . .
Cl6 B7 B3 121.42(14) yes . . .
Cl6 B7 B8 122.65(14) yes . . .
Cl6 B7 B11 121.23(14) yes . . .
Cl6 B7 B12 122.68(15) yes . . .
B2 B7 B3 60.28(12) yes . . .
B2 B7 B8 107.63(15) yes . . .
B2 B7 B11 59.74(12) yes . . .
B2 B7 B12 107.53(14) yes . . .
B3 B7 B8 59.53(13) yes . . .
B3 B7 B11 108.23(14) yes . . .
B3 B7 B12 107.73(15) yes . . .
B8 B7 B11 108.17(15) yes . . .
B8 B7 B12 60.09(13) yes . . .
B11 B7 B12 60.06(13) yes . . .
Cl7 B8 B3 120.97(14) yes . . .
Cl7 B8 B4 121.31(15) yes . . .
Cl7 B8 B7 121.50(14) yes . . .
Cl7 B8 B9 122.05(16) yes . . .
Cl7 B8 B12 122.38(15) yes . . .
B3 B8 B4 60.64(13) yes . . .
B3 B8 B7 59.92(13) yes . . .
B3 B8 B9 108.32(15) yes . . .
B3 B8 B12 107.79(16) yes . . .
B4 B8 B7 108.42(16) yes . . .
B4 B8 B9 59.76(12) yes . . .
B4 B8 B12 107.93(14) yes . . .
B7 B8 B9 108.16(15) yes . . .
B7 B8 B12 59.78(13) yes . . .
B9 B8 B12 60.17(12) yes . . .
Cl8 B9 B4 121.13(15) yes . . .
Cl8 B9 B5 121.57(14) yes . . .
Cl8 B9 B8 121.98(14) yes . . .
Cl8 B9 B10 121.98(14) yes . . .
Cl8 B9 B12 122.57(15) yes . . .
B4 B9 B5 60.40(12) yes . . .
B4 B9 B8 59.85(12) yes . . .
B4 B9 B10 108.13(16) yes . . .
B4 B9 B12 107.84(15) yes . . .
B5 B9 B8 107.83(16) yes . . .
B5 B9 B10 59.55(12) yes . . .
B5 B9 B12 107.27(16) yes . . .
B8 B9 B10 107.85(15) yes . . .
B8 B9 B12 59.97(12) yes . . .
B10 B9 B12 59.78(12) yes . . .
Cl9 B10 B5 121.06(13) yes . . .
Cl9 B10 B6 122.13(14) yes . . .
Cl9 B10 B9 120.80(15) yes . . .
Cl9 B10 B11 122.57(14) yes . . .
Cl9 B10 B12 122.19(15) yes . . .
B5 B10 B6 60.44(13) yes . . .
B5 B10 B9 59.61(12) yes . . .
B5 B10 B11 108.09(15) yes . . .
B5 B10 B12 107.59(14) yes . . .
B6 B10 B9 108.09(15) yes . . .
B6 B10 B11 59.66(12) yes . . .
B6 B10 B12 107.60(15) yes . . .
B9 B10 B11 108.33(14) yes . . .
B9 B10 B12 60.11(12) yes . . .
B11 B10 B12 60.05(12) yes . . .
Cl10 B11 B2 120.74(16) yes . . .
Cl10 B11 B6 121.12(14) yes . . .
Cl10 B11 B7 121.76(14) yes . . .
Cl10 B11 B10 123.06(14) yes . . .
Cl10 B11 B12 123.55(15) yes . . .
B2 B11 B6 60.20(12) yes . . .
B2 B11 B7 59.41(12) yes . . .
B2 B11 B10 107.51(15) yes . . .
B2 B11 B12 106.92(15) yes . . .
B6 B11 B7 107.74(15) yes . . .
B6 B11 B10 59.79(12) yes . . .
B6 B11 B12 107.50(15) yes . . .
B7 B11 B10 107.49(15) yes . . .
B7 B11 B12 59.61(13) yes . . .
B10 B11 B12 59.79(12) yes . . .
Cl11 B12 B7 121.55(14) yes . . .
Cl11 B12 B8 122.14(14) yes . . .
Cl11 B12 B9 121.83(16) yes . . .
Cl11 B12 B10 121.28(14) yes . . .
Cl11 B12 B11 120.94(14) yes . . .
B7 B12 B8 60.13(13) yes . . .
B7 B12 B9 108.20(15) yes . . .
B7 B12 B10 108.36(16) yes . . .
B7 B12 B11 60.33(13) yes . . .
B8 B12 B9 59.86(12) yes . . .
B8 B12 B10 108.04(15) yes . . .
B8 B12 B11 108.42(16) yes . . .
B9 B12 B10 60.11(12) yes . . .
B9 B12 B11 108.41(15) yes . . .
B10 B12 B11 60.16(12) yes . . .
C2 C3 H3 119.226 no . . .
C4 C3 H3 119.224 no . . .
C4 C5 H5 119.162 no . . .
C6 C5 H5 119.166 no . . .
C2 C7 H7A 109.474 no . . .
C2 C7 H7B 109.474 no . . .
C2 C7 H7C 109.470 no . . .
H7A C7 H7B 109.470 no . . .
H7A C7 H7C 109.472 no . . .
H7B C7 H7C 109.467 no . . .
C4 C8 H8A 109.475 no . . .
C4 C8 H8B 109.467 no . . .
C4 C8 H8C 109.462 no . . .
H8A C8 H8B 109.475 no . . .
H8A C8 H8C 109.472 no . . .
H8B C8 H8C 109.477 no . . .
C6 C9 H9A 109.468 no . . .
C6 C9 H9B 109.470 no . . .
C6 C9 H9C 109.473 no . . .
H9A C9 H9B 109.463 no . . .
H9A C9 H9C 109.475 no . . .
H9B C9 H9C 109.478 no . . .
C11 C12 H12 119.179 no . . .
C13 C12 H12 119.162 no . . .
C13 C14 H14 119.068 no . . .
C15 C14 H14 119.071 no . . .
C11 C16 H16A 109.466 no . . .
C11 C16 H16B 109.475 no . . .
C11 C16 H16C 109.475 no . . .
H16A C16 H16B 109.472 no . . .
H16A C16 H16C 109.468 no . . .
H16B C16 H16C 109.471 no . . .
C13 C17 H17A 109.463 no . . .
C13 C17 H17B 109.472 no . . .
C13 C17 H17C 109.465 no . . .
H17A C17 H17B 109.469 no . . .
H17A C17 H17C 109.478 no . . .
H17B C17 H17C 109.480 no . . .
C15 C18 H18A 109.472 no . . .
C15 C18 H18B 109.467 no . . .
C15 C18 H18C 109.464 no . . .
H18A C18 H18B 109.468 no . . .
H18A C18 H18C 109.475 no . . .
H18B C18 H18C 109.481 no . . .
B2 C19 H1 118.7(14) no . . .
B3 C19 H1 118.0(12) no . . .
B4 C19 H1 116.8(14) no . . .
B5 C19 H1 117.1(12) no . . .
B6 C19 H1 117.6(13) no . . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Cl1 B2 1.769(3) yes . .
Cl2 B3 1.765(2) yes . .
Cl3 B4 1.766(3) yes . .
Cl4 B5 1.773(2) yes . .
Cl5 B6 1.770(3) yes . .
Cl6 B7 1.775(2) yes . .
Cl7 B8 1.789(3) yes . .
Cl8 B9 1.776(3) yes . .
Cl9 B10 1.778(2) yes . .
Cl10 B11 1.775(3) yes . .
Cl11 B12 1.780(3) yes . .
C1 C2 1.430(3) yes . .
C1 C6 1.422(3) yes . .
C1 B1 1.459(4) yes . .
C2 C3 1.382(3) yes . .
C2 C7 1.502(4) yes . .
C3 C4 1.398(3) yes . .
C4 C5 1.391(3) yes . .
C4 C8 1.501(4) yes . .
C5 C6 1.384(3) yes . .
C6 C9 1.500(3) yes . .
C10 C11 1.428(3) yes . .
C10 C15 1.431(3) yes . .
C10 B1 1.458(4) yes . .
C11 C12 1.375(3) yes . .
C11 C16 1.501(3) yes . .
C12 C13 1.395(3) yes . .
C13 C14 1.396(3) yes . .
C13 C17 1.500(4) yes . .
C14 C15 1.374(4) yes . .
C15 C18 1.504(3) yes . .
C19 B2 1.713(3) yes . .
C19 B3 1.719(3) yes . .
C19 B4 1.720(3) yes . .
C19 B5 1.716(3) yes . .
C19 B6 1.721(3) yes . .
B2 B3 1.786(3) yes . .
B2 B6 1.786(3) yes . .
B2 B7 1.774(4) yes . .
B2 B11 1.780(4) yes . .
B3 B4 1.795(3) yes . .
B3 B7 1.782(3) yes . .
B3 B8 1.775(4) yes . .
B4 B5 1.788(3) yes . .
B4 B8 1.781(3) yes . .
B4 B9 1.779(4) yes . .
B5 B6 1.790(3) yes . .
B5 B9 1.774(4) yes . .
B5 B10 1.773(3) yes . .
B6 B10 1.783(4) yes . .
B6 B11 1.781(3) yes . .
B7 B8 1.793(4) yes . .
B7 B11 1.800(3) yes . .
B7 B12 1.787(4) yes . .
B8 B9 1.791(3) yes . .
B8 B12 1.793(3) yes . .
B9 B10 1.796(3) yes . .
B9 B12 1.796(3) yes . .
B10 B11 1.797(3) yes . .
B10 B12 1.790(3) yes . .
B11 B12 1.795(4) yes . .
C3 H3 0.950 no . .
C5 H5 0.950 no . .
C7 H7A 0.980 no . .
C7 H7B 0.980 no . .
C7 H7C 0.980 no . .
C8 H8A 0.980 no . .
C8 H8B 0.980 no . .
C8 H8C 0.980 no . .
C9 H9A 0.980 no . .
C9 H9B 0.980 no . .
C9 H9C 0.980 no . .
C12 H12 0.950 no . .
C14 H14 0.950 no . .
C16 H16A 0.980 no . .
C16 H16B 0.980 no . .
C16 H16C 0.980 no . .
C17 H17A 0.980 no . .
C17 H17B 0.980 no . .
C17 H17C 0.980 no . .
C18 H18A 0.980 no . .
C18 H18B 0.980 no . .
C18 H18C 0.980 no . .
C19 H1 0.88(2) no . .
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Cl1 Cl2 3.5887(7) no . .
Cl1 Cl5 3.5454(7) no . .
Cl2 Cl3 3.5853(8) no . .
Cl3 Cl4 3.5853(7) no . .
Cl4 Cl5 3.5900(8) no . .
C1 C4 2.791(3) no . .
C2 C5 2.806(3) no . .
C3 C6 2.807(3) no . .
C7 B1 2.924(4) no . .
C9 B1 2.921(4) no . .
C10 C13 2.791(3) no . .
C11 C14 2.800(3) no . .
C12 C15 2.805(3) no . .
C16 B1 2.947(3) no . .
C18 B1 2.899(4) no . .
C19 B12 3.243(3) no . .
B2 B9 3.394(4) no . .
B3 B10 3.403(3) no . .
B4 B11 3.417(3) no . .
B5 B7 3.394(3) no . .
B6 B8 3.401(3) no . .
Cl1 Cl4 3.3596(8) no . 2_646
Cl1 Cl10 3.5770(8) no . 2_656
Cl4 Cl1 3.3596(8) no . 2_656
Cl4 C12 3.516(2) no . 3_776
Cl6 C4 3.550(2) no . .
Cl6 C5 3.2761(19) no . .
Cl6 C6 3.305(2) no . .
Cl8 Cl8 3.5468(8) no . 3_776
Cl9 C9 3.570(2) no . 4_565
Cl9 C10 3.591(2) no . 3_766
Cl9 C11 3.512(2) no . 3_766
Cl9 C12 3.430(2) no . 3_766
Cl9 C13 3.440(2) no . 3_766
Cl9 C14 3.583(2) no . 3_766
Cl10 Cl1 3.5770(8) no . 2_646
Cl11 C16 3.535(3) no . .
C4 Cl6 3.550(2) no . .
C4 C17 3.545(3) no . 2_645
C5 Cl6 3.2761(19) no . .
C6 Cl6 3.305(2) no . .
C9 Cl9 3.570(2) no . 4_464
C10 Cl9 3.591(2) no . 3_766
C11 Cl9 3.512(2) no . 3_766
C12 Cl4 3.516(2) no . 3_776
C12 Cl9 3.430(2) no . 3_766
C13 Cl9 3.440(2) no . 3_766
C14 Cl9 3.583(2) no . 3_766
C16 Cl11 3.535(3) no . .
C17 C4 3.545(3) no . 2_655
Cl1 H1 3.17(2) no . .
Cl2 H1 3.148(18) no . .
Cl3 H1 3.11(2) no . .
Cl4 H1 3.149(19) no . .
Cl5 H1 3.138(19) no . .
C1 H3 3.2749 no . .
C1 H5 3.2685 no . .
C1 H7A 3.3424 no . .
C1 H7B 2.8113 no . .
C1 H7C 2.7629 no . .
C1 H9A 3.2857 no . .
C1 H9B 2.6215 no . .
C1 H9C 2.9776 no . .
C1 H16A 3.3595 no . .
C1 H18B 3.1538 no . .
C3 H5 3.2633 no . .
C3 H7A 2.5573 no . .
C3 H7B 3.1100 no . .
C3 H7C 3.1540 no . .
C3 H8A 2.8928 no . .
C3 H8B 2.6336 no . .
C3 H8C 3.2822 no . .
C5 H3 3.2628 no . .
C5 H8A 2.9934 no . .
C5 H8B 3.2391 no . .
C5 H8C 2.5849 no . .
C5 H9A 2.6282 no . .
C5 H9B 3.2695 no . .
C5 H9C 2.9288 no . .
C7 H3 2.6617 no . .
C8 H3 2.6520 no . .
C8 H5 2.6581 no . .
C9 H5 2.6664 no . .
C10 H7C 3.3506 no . .
C10 H9B 3.1669 no . .
C10 H12 3.2702 no . .
C10 H14 3.2693 no . .
C10 H16A 2.6011 no . .
C10 H16B 3.2638 no . .
C10 H16C 3.0404 no . .
C10 H18A 2.8556 no . .
C10 H18B 2.7285 no . .
C10 H18C 3.3403 no . .
C12 H14 3.2616 no . .
C12 H16A 3.2763 no . .
C12 H16B 2.6530 no . .
C12 H16C 2.8639 no . .
C12 H17A 3.3023 no . .
C12 H17B 2.8010 no . .
C12 H17C 2.7082 no . .
C14 H12 3.2624 no . .
C14 H17A 2.5590 no . .
C14 H17B 3.0747 no . .
C14 H17C 3.1920 no . .
C14 H18A 3.0715 no . .
C14 H18B 3.1754 no . .
C14 H18C 2.5584 no . .
C16 H12 2.6473 no . .
C17 H12 2.6552 no . .
C17 H14 2.6628 no . .
C18 H9B 3.5476 no . .
C18 H14 2.6513 no . .
B1 H7B 2.9832 no . .
B1 H7C 2.7514 no . .
B1 H9B 2.4913 no . .
B1 H9C 3.3481 no . .
B1 H16A 2.5375 no . .
B1 H16C 3.3270 no . .
B1 H18A 3.0323 no . .
B1 H18B 2.6596 no . .
B7 H1 3.54(2) no . .
B8 H1 3.53(2) no . .
B9 H1 3.53(3) no . .
B10 H1 3.53(2) no . .
B11 H1 3.54(2) no . .
H3 H7A 2.3420 no . .
H3 H7B 3.2856 no . .
H3 H7C 3.3583 no . .
H3 H8A 2.9312 no . .
H3 H8B 2.4814 no . .
H3 H8C 3.5472 no . .
H5 H8A 3.1094 no . .
H5 H8B 3.4783 no . .
H5 H8C 2.3876 no . .
H5 H9A 2.4540 no . .
H5 H9B 3.5288 no . .
H5 H9C 3.0285 no . .
H7B H16A 3.4626 no . .
H7B H16C 3.2365 no . .
H7C H18B 3.4702 no . .
H9B H18A 2.9266 no . .
H12 H16A 3.5490 no . .
H12 H16B 2.5094 no . .
H12 H16C 2.8993 no . .
H12 H17A 3.5794 no . .
H12 H17B 2.8061 no . .
H12 H17C 2.5916 no . .
H14 H17A 2.3422 no . .
H14 H17B 3.2509 no . .
H14 H17C 3.3903 no . .
H14 H18A 3.2208 no . .
H14 H18B 3.3936 no . .
H14 H18C 2.3427 no . .
Cl1 H1 2.96(2) no . 2_646
Cl1 H17B 3.5099 no . 4_465
Cl1 H17C 3.0450 no . 4_465
Cl2 H3 3.4176 no . 1_565
Cl2 H8A 3.5759 no . 1_565
Cl2 H8B 3.0312 no . 1_565
Cl2 H8B 3.5570 no . 3_666
Cl2 H8C 3.5881 no . 3_666
Cl2 H17B 3.1077 no . 4_465
Cl2 H17C 3.5613 no . 4_465
Cl3 H3 3.1179 no . 1_565
Cl3 H7A 3.3886 no . 1_565
Cl3 H16B 3.4592 no . 3_776
Cl4 H9A 3.1730 no . 4_565
Cl4 H12 2.8919 no . 3_776
Cl4 H17C 3.4465 no . 3_776
Cl4 H18A 3.0691 no . 4_565
Cl4 H18B 3.4987 no . 4_565
Cl5 H8A 3.2383 no . 2_656
Cl5 H9A 2.9406 no . 4_565
Cl5 H17B 3.4775 no . 3_766
Cl6 H5 3.5910 no . .
Cl6 H8C 3.0121 no . 3_666
Cl6 H9C 3.2362 no . .
Cl7 H3 3.3912 no . 1_565
Cl7 H7A 3.0564 no . 1_565
Cl7 H9C 3.3486 no . .
Cl7 H14 3.0336 no . 2_655
Cl7 H16A 3.2140 no . .
Cl7 H18C 3.2624 no . 2_655
Cl8 H7A 3.2049 no . 3_766
Cl8 H7C 3.4001 no . 3_766
Cl8 H16B 3.0397 no . 3_776
Cl8 H18A 3.2763 no . 4_565
Cl8 H18C 3.3781 no . 4_565
Cl9 H7C 3.1310 no . 3_766
Cl9 H9A 3.2063 no . 4_565
Cl9 H9B 3.0364 no . 4_565
Cl9 H18A 3.3026 no . 4_565
Cl10 H1 3.24(3) no . 2_646
Cl10 H12 3.1562 no . 3_766
Cl10 H17B 3.4088 no . 3_766
Cl11 H7B 3.4170 no . .
Cl11 H7B 3.3424 no . 3_766
Cl11 H16A 3.0123 no . .
Cl11 H16C 3.2241 no . .
Cl11 H16C 2.8495 no . 3_766
C3 H14 3.5980 no . 2_645
C3 H17A 3.1380 no . 2_645
C3 H17C 3.4883 no . 2_645
C4 H17A 3.1785 no . 2_645
C4 H17C 3.0494 no . 2_645
C5 H8A 3.5137 no . 3_666
C5 H8C 3.4872 no . 3_666
C5 H17C 3.3806 no . 2_645
C8 H5 3.2346 no . 3_666
C8 H17A 3.1909 no . 2_645
C8 H17C 3.2594 no . 2_645
C10 H18B 3.3697 no . 2_655
C11 H18B 3.0777 no . 2_655
C11 H18C 3.2358 no . 2_655
C12 H18B 3.2078 no . 2_655
C14 H9B 3.5753 no . 2_645
C16 H18C 3.1565 no . 2_655
C17 H8B 3.2122 no . 2_655
C18 H16B 3.4702 no . 2_645
H1 Cl1 2.96(2) no . 2_656
H1 Cl10 3.24(3) no . 2_656
H3 Cl2 3.4176 no . 1_545
H3 Cl3 3.1179 no . 1_545
H3 Cl7 3.3912 no . 1_545
H3 H14 3.3385 no . 2_645
H3 H17A 3.0171 no . 2_645
H5 Cl6 3.5910 no . .
H5 C8 3.2346 no . 3_666
H5 H5 3.5316 no . 3_666
H5 H8A 2.6849 no . 3_666
H5 H8C 2.9518 no . 3_666
H5 H17C 3.5846 no . 2_645
H7A Cl3 3.3886 no . 1_545
H7A Cl7 3.0564 no . 1_545
H7A Cl8 3.2049 no . 3_766
H7A H14 3.3267 no . 2_645
H7B Cl11 3.4170 no . .
H7B Cl11 3.3424 no . 3_766
H7C Cl8 3.4001 no . 3_766
H7C Cl9 3.1310 no . 3_766
H7C H14 3.4919 no . 2_645
H7C H18A 3.2834 no . 2_645
H8A Cl2 3.5759 no . 1_545
H8A Cl5 3.2383 no . 2_646
H8A C5 3.5137 no . 3_666
H8A H5 2.6849 no . 3_666
H8A H9A 3.3175 no . 3_666
H8B Cl2 3.0312 no . 1_545
H8B Cl2 3.5570 no . 3_666
H8B C17 3.2122 no . 2_645
H8B H17A 2.5536 no . 2_645
H8B H17C 3.0304 no . 2_645
H8C Cl2 3.5881 no . 3_666
H8C Cl6 3.0121 no . 3_666
H8C C5 3.4872 no . 3_666
H8C H5 2.9518 no . 3_666
H8C H17A 3.4674 no . 2_645
H8C H17C 3.1548 no . 2_645
H9A Cl4 3.1730 no . 4_464
H9A Cl5 2.9406 no . 4_464
H9A Cl9 3.2063 no . 4_464
H9A H8A 3.3175 no . 3_666
H9B Cl9 3.0364 no . 4_464
H9B C14 3.5753 no . 2_655
H9B H14 3.3369 no . 2_655
H9B H18C 3.5973 no . 2_655
H9C Cl6 3.2362 no . .
H9C Cl7 3.3486 no . .
H9C H14 3.0746 no . 2_655
H9C H17A 3.5056 no . 2_655
H12 Cl4 2.8919 no . 3_776
H12 Cl10 3.1562 no . 3_766
H12 H18B 3.5430 no . 2_655
H14 Cl7 3.0336 no . 2_645
H14 C3 3.5980 no . 2_655
H14 H3 3.3385 no . 2_655
H14 H7A 3.3267 no . 2_655
H14 H7C 3.4919 no . 2_655
H14 H9B 3.3369 no . 2_645
H14 H9C 3.0746 no . 2_645
H16A Cl7 3.2140 no . .
H16A Cl11 3.0123 no . .
H16A H18C 2.9562 no . 2_655
H16B Cl3 3.4592 no . 3_776
H16B Cl8 3.0397 no . 3_776
H16B C18 3.4702 no . 2_655
H16B H18A 3.5968 no . 2_655
H16B H18B 3.4438 no . 2_655
H16B H18C 2.8542 no . 2_655
H16C Cl11 3.2241 no . .
H16C Cl11 2.8495 no . 3_766
H17A C3 3.1380 no . 2_655
H17A C4 3.1785 no . 2_655
H17A C8 3.1909 no . 2_655
H17A H3 3.0171 no . 2_655
H17A H8B 2.5536 no . 2_655
H17A H8C 3.4674 no . 2_655
H17A H9C 3.5056 no . 2_645
H17B Cl1 3.5099 no . 4_564
H17B Cl2 3.1077 no . 4_564
H17B Cl5 3.4775 no . 3_766
H17B Cl10 3.4088 no . 3_766
H17C Cl1 3.0450 no . 4_564
H17C Cl2 3.5613 no . 4_564
H17C Cl4 3.4465 no . 3_776
H17C C3 3.4883 no . 2_655
H17C C4 3.0494 no . 2_655
H17C C5 3.3806 no . 2_655
H17C C8 3.2594 no . 2_655
H17C H5 3.5846 no . 2_655
H17C H8B 3.0304 no . 2_655
H17C H8C 3.1548 no . 2_655
H18A Cl4 3.0691 no . 4_464
H18A Cl8 3.2763 no . 4_464
H18A Cl9 3.3026 no . 4_464
H18A H7C 3.2834 no . 2_655
H18A H16B 3.5968 no . 2_645
H18B Cl4 3.4987 no . 4_464
H18B C10 3.3697 no . 2_645
H18B C11 3.0777 no . 2_645
H18B C12 3.2078 no . 2_645
H18B H12 3.5430 no . 2_645
H18B H16B 3.4438 no . 2_645
H18C Cl7 3.2624 no . 2_645
H18C Cl8 3.3781 no . 4_464
H18C C11 3.2358 no . 2_645
H18C C16 3.1565 no . 2_645
H18C H9B 3.5973 no . 2_645
H18C H16A 2.9562 no . 2_645
H18C H16B 2.8542 no . 2_645
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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C2 C1 C6 C5 -4.8(3) no . . . .
C2 C1 C6 C9 171.96(15) no . . . .
C6 C1 C2 C3 2.4(3) no . . . .
C6 C1 C2 C7 -177.40(15) no . . . .
B1 C1 C2 C3 -169.07(16) no . . . .
B1 C1 C2 C7 11.2(3) no . . . .
B1 C1 C6 C5 166.61(16) no . . . .
B1 C1 C6 C9 -16.6(3) no . . . .
C1 C2 C3 C4 0.6(3) no . . . .
C7 C2 C3 C4 -179.67(17) no . . . .
C2 C3 C4 C5 -1.0(3) no . . . .
C2 C3 C4 C8 -179.12(16) no . . . .
C3 C4 C5 C6 -1.6(3) no . . . .
C8 C4 C5 C6 176.49(16) no . . . .
C4 C5 C6 C1 4.5(3) no . . . .
C4 C5 C6 C9 -172.28(15) no . . . .
C11 C10 C15 C14 2.8(3) no . . . .
C11 C10 C15 C18 -177.66(16) no . . . .
C15 C10 C11 C12 -2.9(3) no . . . .
C15 C10 C11 C16 -179.95(15) no . . . .
B1 C10 C11 C12 169.26(17) no . . . .
B1 C10 C11 C16 -7.8(3) no . . . .
B1 C10 C15 C14 -169.63(16) no . . . .
B1 C10 C15 C18 10.0(3) no . . . .
C10 C11 C12 C13 -0.1(3) no . . . .
C16 C11 C12 C13 176.93(16) no . . . .
C11 C12 C13 C14 3.2(3) no . . . .
C11 C12 C13 C17 -173.40(16) no . . . .
C12 C13 C14 C15 -3.4(3) no . . . .
C17 C13 C14 C15 173.21(17) no . . . .
C13 C14 C15 C10 0.4(3) no . . . .
C13 C14 C15 C18 -179.16(16) no . . . .
B2 C19 B3 Cl2 108.91(18) no . . . .
B2 C19 B3 B2 0.00(9) no . . . .
B2 C19 B3 B4 -142.70(14) no . . . .
B2 C19 B3 B7 -39.78(13) no . . . .
B2 C19 B3 B8 -102.48(15) no . . . .
B3 C19 B2 Cl1 -108.80(17) no . . . .
B3 C19 B2 B3 0.00(9) no . . . .
B3 C19 B2 B6 143.18(14) no . . . .
B3 C19 B2 B7 40.12(12) no . . . .
B3 C19 B2 B11 103.34(15) no . . . .
B2 C19 B4 Cl3 145.67(14) no . . . .
B2 C19 B4 B3 36.41(13) no . . . .
B2 C19 B4 B5 -105.93(15) no . . . .
B2 C19 B4 B8 -3.59(19) no . . . .
B2 C19 B4 B9 -66.09(17) no . . . .
B4 C19 B2 Cl1 -145.29(15) no . . . .
B4 C19 B2 B3 -36.49(13) no . . . .
B4 C19 B2 B6 106.69(15) no . . . .
B4 C19 B2 B7 3.63(19) no . . . .
B4 C19 B2 B11 66.85(17) no . . . .
B2 C19 B5 Cl4 -144.15(15) no . . . .
B2 C19 B5 B4 106.58(15) no . . . .
B2 C19 B5 B6 -36.78(13) no . . . .
B2 C19 B5 B9 66.51(17) no . . . .
B2 C19 B5 B10 3.34(19) no . . . .
B5 C19 B2 Cl1 144.84(15) no . . . .
B5 C19 B2 B3 -106.36(15) no . . . .
B5 C19 B2 B6 36.82(13) no . . . .
B5 C19 B2 B7 -66.23(17) no . . . .
B5 C19 B2 B11 -3.01(19) no . . . .
B2 C19 B6 Cl5 -107.76(18) no . . . .
B2 C19 B6 B2 0.00(9) no . . . .
B2 C19 B6 B5 142.16(14) no . . . .
B2 C19 B6 B10 102.47(14) no . . . .
B2 C19 B6 B11 39.74(13) no . . . .
B6 C19 B2 Cl1 108.02(17) no . . . .
B6 C19 B2 B3 -143.18(15) no . . . .
B6 C19 B2 B6 0.00(9) no . . . .
B6 C19 B2 B7 -103.05(15) no . . . .
B6 C19 B2 B11 -39.83(12) no . . . .
B3 C19 B4 Cl3 109.27(17) no . . . .
B3 C19 B4 B3 0.00(8) no . . . .
B3 C19 B4 B5 -142.34(13) no . . . .
B3 C19 B4 B8 -40.00(12) no . . . .
B3 C19 B4 B9 -102.49(14) no . . . .
B4 C19 B3 Cl2 -108.38(18) no . . . .
B4 C19 B3 B2 142.70(14) no . . . .
B4 C19 B3 B4 0.00(9) no . . . .
B4 C19 B3 B7 102.92(15) no . . . .
B4 C19 B3 B8 40.22(12) no . . . .
B3 C19 B5 Cl4 146.06(15) no . . . .
B3 C19 B5 B4 36.79(13) no . . . .
B3 C19 B5 B6 -106.57(15) no . . . .
B3 C19 B5 B9 -3.29(19) no . . . .
B3 C19 B5 B10 -66.45(17) no . . . .
B5 C19 B3 Cl2 -145.09(15) no . . . .
B5 C19 B3 B2 106.00(15) no . . . .
B5 C19 B3 B4 -36.70(13) no . . . .
B5 C19 B3 B7 66.22(18) no . . . .
B5 C19 B3 B8 3.52(19) no . . . .
B3 C19 B6 Cl5 -143.72(15) no . . . .
B3 C19 B6 B2 -35.96(14) no . . . .
B3 C19 B6 B5 106.20(16) no . . . .
B3 C19 B6 B10 66.51(18) no . . . .
B3 C19 B6 B11 3.8(2) no . . . .
B6 C19 B3 Cl2 144.87(16) no . . . .
B6 C19 B3 B2 35.95(14) no . . . .
B6 C19 B3 B4 -106.75(16) no . . . .
B6 C19 B3 B7 -3.8(2) no . . . .
B6 C19 B3 B8 -66.53(18) no . . . .
B4 C19 B5 Cl4 109.27(17) no . . . .
B4 C19 B5 B4 0.00(8) no . . . .
B4 C19 B5 B6 -143.35(13) no . . . .
B4 C19 B5 B9 -40.07(12) no . . . .
B4 C19 B5 B10 -103.23(14) no . . . .
B5 C19 B4 Cl3 -108.40(16) no . . . .
B5 C19 B4 B3 142.34(13) no . . . .
B5 C19 B4 B5 0.00(8) no . . . .
B5 C19 B4 B8 102.34(14) no . . . .
B5 C19 B4 B9 39.84(12) no . . . .
B4 C19 B6 Cl5 145.94(14) no . . . .
B4 C19 B6 B2 -106.30(15) no . . . .
B4 C19 B6 B5 35.86(12) no . . . .
B4 C19 B6 B10 -3.83(18) no . . . .
B4 C19 B6 B11 -66.56(17) no . . . .
B6 C19 B4 Cl3 -144.29(14) no . . . .
B6 C19 B4 B3 106.44(14) no . . . .
B6 C19 B4 B5 -35.89(12) no . . . .
B6 C19 B4 B8 66.45(16) no . . . .
B6 C19 B4 B9 3.95(18) no . . . .
B5 C19 B6 Cl5 110.08(17) no . . . .
B5 C19 B6 B2 -142.16(14) no . . . .
B5 C19 B6 B5 0.00(8) no . . . .
B5 C19 B6 B10 -39.70(12) no . . . .
B5 C19 B6 B11 -102.43(15) no . . . .
B6 C19 B5 Cl4 -107.38(17) no . . . .
B6 C19 B5 B4 143.35(13) no . . . .
B6 C19 B5 B6 0.00(8) no . . . .
B6 C19 B5 B9 103.28(14) no . . . .
B6 C19 B5 B10 40.12(12) no . . . .
Cl1 B2 B3 Cl2 0.7(3) no . . . .
Cl1 B2 B3 C19 111.56(15) no . . . .
Cl1 B2 B3 B4 144.44(13) no . . . .
Cl1 B2 B3 B7 -114.37(15) no . . . .
Cl1 B2 B3 B8 -152.34(12) no . . . .
Cl1 B2 B6 Cl5 -1.1(3) no . . . .
Cl1 B2 B6 C19 -111.84(16) no . . . .
Cl1 B2 B6 B5 -145.08(13) no . . . .
Cl1 B2 B6 B10 152.16(12) no . . . .
Cl1 B2 B6 B11 113.80(15) no . . . .
Cl1 B2 B7 Cl6 -2.3(3) no . . . .
Cl1 B2 B7 B3 108.66(16) no . . . .
Cl1 B2 B7 B8 146.10(13) no . . . .
Cl1 B2 B7 B11 -112.75(16) no . . . .
Cl1 B2 B7 B12 -150.54(13) no . . . .
Cl1 B2 B11 Cl10 2.6(3) no . . . .
Cl1 B2 B11 B6 -108.01(15) no . . . .
Cl1 B2 B11 B7 113.71(15) no . . . .
Cl1 B2 B11 B10 -145.95(13) no . . . .
Cl1 B2 B11 B12 151.16(12) no . . . .
C19 B2 B3 Cl2 -110.85(17) no . . . .
C19 B2 B3 C19 0.00(8) no . . . .
C19 B2 B3 B4 32.88(13) no . . . .
C19 B2 B3 B7 134.07(14) no . . . .
C19 B2 B3 B8 96.10(14) no . . . .
C19 B2 B6 Cl5 110.72(17) no . . . .
C19 B2 B6 C19 0.00(9) no . . . .
C19 B2 B6 B5 -33.23(13) no . . . .
C19 B2 B6 B10 -95.99(15) no . . . .
C19 B2 B6 B11 -134.35(14) no . . . .
C19 B2 B7 Cl6 -150.44(14) no . . . .
C19 B2 B7 B3 -39.51(11) no . . . .
C19 B2 B7 B8 -2.07(17) no . . . .
C19 B2 B7 B11 99.09(13) no . . . .
C19 B2 B7 B12 61.30(16) no . . . .
C19 B2 B11 Cl10 149.95(14) no . . . .
C19 B2 B11 B6 39.32(11) no . . . .
C19 B2 B11 B7 -98.96(14) no . . . .
C19 B2 B11 B10 1.38(17) no . . . .
C19 B2 B11 B12 -61.52(16) no . . . .
B3 B2 B6 Cl5 143.47(15) no . . . .
B3 B2 B6 C19 32.75(12) no . . . .
B3 B2 B6 B5 -0.49(19) no . . . .
B3 B2 B6 B10 -63.25(17) no . . . .
B3 B2 B6 B11 -101.61(15) no . . . .
B6 B2 B3 Cl2 -143.61(15) no . . . .
B6 B2 B3 C19 -32.76(12) no . . . .
B6 B2 B3 B4 0.12(19) no . . . .
B6 B2 B3 B7 101.31(15) no . . . .
B6 B2 B3 B8 63.34(17) no . . . .
B3 B2 B7 Cl6 -110.93(17) no . . . .
B3 B2 B7 B3 0.00(8) no . . . .
B3 B2 B7 B8 37.44(12) no . . . .
B3 B2 B7 B11 138.59(14) no . . . .
B3 B2 B7 B12 100.80(14) no . . . .
B7 B2 B3 Cl2 115.08(17) no . . . .
B7 B2 B3 C19 -134.07(14) no . . . .
B7 B2 B3 B4 -101.18(15) no . . . .
B7 B2 B3 B7 0.00(9) no . . . .
B7 B2 B3 B8 -37.97(12) no . . . .
B3 B2 B11 Cl10 -148.39(14) no . . . .
B3 B2 B11 B6 100.98(14) no . . . .
B3 B2 B11 B7 -37.30(11) no . . . .
B3 B2 B11 B10 63.04(16) no . . . .
B3 B2 B11 B12 0.14(17) no . . . .
B11 B2 B3 Cl2 152.72(14) no . . . .
B11 B2 B3 C19 -96.43(14) no . . . .
B11 B2 B3 B4 -63.55(17) no . . . .
B11 B2 B3 B7 37.64(11) no . . . .
B11 B2 B3 B8 -0.33(17) no . . . .
B6 B2 B7 Cl6 147.90(14) no . . . .
B6 B2 B7 B3 -101.16(14) no . . . .
B6 B2 B7 B8 -63.72(17) no . . . .
B6 B2 B7 B11 37.43(12) no . . . .
B6 B2 B7 B12 -0.36(18) no . . . .
B7 B2 B6 Cl5 -152.76(14) no . . . .
B7 B2 B6 C19 96.52(14) no . . . .
B7 B2 B6 B5 63.28(17) no . . . .
B7 B2 B6 B10 0.52(18) no . . . .
B7 B2 B6 B11 -37.84(12) no . . . .
B6 B2 B11 Cl10 110.63(17) no . . . .
B6 B2 B11 B6 0.00(9) no . . . .
B6 B2 B11 B7 -138.28(14) no . . . .
B6 B2 B11 B10 -37.94(12) no . . . .
B6 B2 B11 B12 -100.83(14) no . . . .
B11 B2 B6 Cl5 -114.92(17) no . . . .
B11 B2 B6 C19 134.35(15) no . . . .
B11 B2 B6 B5 101.12(15) no . . . .
B11 B2 B6 B10 38.36(13) no . . . .
B11 B2 B6 B11 -0.00(9) no . . . .
B7 B2 B11 Cl10 -111.09(16) no . . . .
B7 B2 B11 B6 138.28(14) no . . . .
B7 B2 B11 B7 0.00(8) no . . . .
B7 B2 B11 B10 100.34(15) no . . . .
B7 B2 B11 B12 37.45(12) no . . . .
B11 B2 B7 Cl6 110.47(17) no . . . .
B11 B2 B7 B3 -138.59(14) no . . . .
B11 B2 B7 B8 -101.15(15) no . . . .
B11 B2 B7 B11 0.00(8) no . . . .
B11 B2 B7 B12 -37.79(12) no . . . .
Cl2 B3 B4 Cl3 1.3(3) no . . . .
Cl2 B3 B4 C19 111.07(16) no . . . .
Cl2 B3 B4 B5 144.22(13) no . . . .
Cl2 B3 B4 B8 -115.28(15) no . . . .
Cl2 B3 B4 B9 -152.80(13) no . . . .
Cl2 B3 B7 Cl6 2.1(3) no . . . .
Cl2 B3 B7 B2 -108.22(17) no . . . .
Cl2 B3 B7 B8 114.02(17) no . . . .
Cl2 B3 B7 B11 -145.20(14) no . . . .
Cl2 B3 B7 B12 151.32(14) no . . . .
Cl2 B3 B8 Cl7 -3.2(3) no . . . .
Cl2 B3 B8 B4 107.78(16) no . . . .
Cl2 B3 B8 B7 -114.07(16) no . . . .
Cl2 B3 B8 B9 145.11(13) no . . . .
Cl2 B3 B8 B12 -151.25(13) no . . . .
C19 B3 B4 Cl3 -109.81(18) no . . . .
C19 B3 B4 C19 0.00(8) no . . . .
C19 B3 B4 B5 33.15(12) no . . . .
C19 B3 B4 B8 133.65(13) no . . . .
C19 B3 B4 B9 96.13(14) no . . . .
C19 B3 B7 Cl6 149.48(15) no . . . .
C19 B3 B7 B2 39.21(12) no . . . .
C19 B3 B7 B8 -98.55(14) no . . . .
C19 B3 B7 B11 2.23(19) no . . . .
C19 B3 B7 B12 -61.25(17) no . . . .
C19 B3 B8 Cl7 -150.53(14) no . . . .
C19 B3 B8 B4 -39.57(11) no . . . .
C19 B3 B8 B7 98.58(13) no . . . .
C19 B3 B8 B9 -2.24(18) no . . . .
C19 B3 B8 B12 61.40(16) no . . . .
B2 B3 B4 Cl3 -142.66(15) no . . . .
B2 B3 B4 C19 -32.86(12) no . . . .
B2 B3 B4 B5 0.29(19) no . . . .
B2 B3 B4 B8 100.79(14) no . . . .
B2 B3 B4 B9 63.28(18) no . . . .
B2 B3 B7 Cl6 110.27(19) no . . . .
B2 B3 B7 B2 0.00(9) no . . . .
B2 B3 B7 B8 -137.76(13) no . . . .
B2 B3 B7 B11 -36.98(13) no . . . .
B2 B3 B7 B12 -100.46(14) no . . . .
B2 B3 B8 Cl7 148.45(14) no . . . .
B2 B3 B8 B4 -100.59(13) no . . . .
B2 B3 B8 B7 37.56(11) no . . . .
B2 B3 B8 B9 -63.25(17) no . . . .
B2 B3 B8 B12 0.38(17) no . . . .
B4 B3 B7 Cl6 -149.38(15) no . . . .
B4 B3 B7 B2 100.34(13) no . . . .
B4 B3 B7 B8 -37.42(12) no . . . .
B4 B3 B7 B11 63.37(18) no . . . .
B4 B3 B7 B12 -0.12(18) no . . . .
B7 B3 B4 Cl3 154.27(14) no . . . .
B7 B3 B4 C19 -95.92(14) no . . . .
B7 B3 B4 B5 -62.77(17) no . . . .
B7 B3 B4 B8 37.73(12) no . . . .
B7 B3 B4 B9 0.21(18) no . . . .
B4 B3 B8 Cl7 -110.96(17) no . . . .
B4 B3 B8 B4 0.00(8) no . . . .
B4 B3 B8 B7 138.15(12) no . . . .
B4 B3 B8 B9 37.33(12) no . . . .
B4 B3 B8 B12 100.97(14) no . . . .
B8 B3 B4 Cl3 116.55(17) no . . . .
B8 B3 B4 C19 -133.65(13) no . . . .
B8 B3 B4 B5 -100.50(15) no . . . .
B8 B3 B4 B8 0.00(8) no . . . .
B8 B3 B4 B9 -37.52(12) no . . . .
B7 B3 B8 Cl7 110.89(17) no . . . .
B7 B3 B8 B4 -138.15(12) no . . . .
B7 B3 B8 B7 0.00(8) no . . . .
B7 B3 B8 B9 -100.82(14) no . . . .
B7 B3 B8 B12 -37.18(12) no . . . .
B8 B3 B7 Cl6 -111.97(17) no . . . .
B8 B3 B7 B2 137.76(12) no . . . .
B8 B3 B7 B8 0.00(8) no . . . .
B8 B3 B7 B11 100.78(15) no . . . .
B8 B3 B7 B12 37.30(12) no . . . .
Cl3 B4 B5 Cl4 -1.4(3) no . . . .
Cl3 B4 B5 C19 110.11(17) no . . . .
Cl3 B4 B5 B6 142.66(14) no . . . .
Cl3 B4 B5 B9 -115.89(17) no . . . .
Cl3 B4 B5 B10 -153.56(13) no . . . .
Cl3 B4 B8 Cl7 2.8(3) no . . . .
Cl3 B4 B8 B3 -107.63(18) no . . . .
Cl3 B4 B8 B7 -145.11(15) no . . . .
Cl3 B4 B8 B9 114.16(19) no . . . .
Cl3 B4 B8 B12 151.62(14) no . . . .
Cl3 B4 B9 Cl8 -4.0(3) no . . . .
Cl3 B4 B9 B5 107.12(15) no . . . .
Cl3 B4 B9 B8 -115.40(16) no . . . .
Cl3 B4 B9 B10 144.07(13) no . . . .
Cl3 B4 B9 B12 -152.75(13) no . . . .
C19 B4 B5 Cl4 -111.49(18) no . . . .
C19 B4 B5 C19 0.00(8) no . . . .
C19 B4 B5 B6 32.55(12) no . . . .
C19 B4 B5 B9 134.00(13) no . . . .
C19 B4 B5 B10 96.33(15) no . . . .
C19 B4 B8 Cl7 149.92(15) no . . . .
C19 B4 B8 B3 39.50(11) no . . . .
C19 B4 B8 B7 2.02(17) no . . . .
C19 B4 B8 B9 -98.71(13) no . . . .
C19 B4 B8 B12 -61.25(17) no . . . .
C19 B4 B9 Cl8 -150.41(13) no . . . .
C19 B4 B9 B5 -39.28(11) no . . . .
C19 B4 B9 B8 98.20(13) no . . . .
C19 B4 B9 B10 -2.34(17) no . . . .
C19 B4 B9 B12 60.85(16) no . . . .
B3 B4 B5 Cl4 -144.64(15) no . . . .
B3 B4 B5 C19 -33.15(12) no . . . .
B3 B4 B5 B6 -0.60(19) no . . . .
B3 B4 B5 B9 100.85(14) no . . . .
B3 B4 B5 B10 63.17(18) no . . . .
B3 B4 B8 Cl7 110.42(18) no . . . .
B3 B4 B8 B3 0.00(8) no . . . .
B3 B4 B8 B7 -37.48(12) no . . . .
B3 B4 B8 B9 -138.21(13) no . . . .
B3 B4 B8 B12 -100.75(15) no . . . .
B3 B4 B9 Cl8 148.53(14) no . . . .
B3 B4 B9 B5 -100.35(14) no . . . .
B3 B4 B9 B8 37.13(12) no . . . .
B3 B4 B9 B10 -63.41(16) no . . . .
B3 B4 B9 B12 -0.22(18) no . . . .
B5 B4 B8 Cl7 -149.11(15) no . . . .
B5 B4 B8 B3 100.47(15) no . . . .
B5 B4 B8 B7 62.99(18) no . . . .
B5 B4 B8 B9 -37.74(13) no . . . .
B5 B4 B8 B12 -0.3(2) no . . . .
B8 B4 B5 Cl4 152.58(16) no . . . .
B8 B4 B5 C19 -95.93(15) no . . . .
B8 B4 B5 B6 -63.38(19) no . . . .
B8 B4 B5 B9 38.07(13) no . . . .
B8 B4 B5 B10 0.4(2) no . . . .
B5 B4 B9 Cl8 -111.12(16) no . . . .
B5 B4 B9 B5 0.00(8) no . . . .
B5 B4 B9 B8 137.48(14) no . . . .
B5 B4 B9 B10 36.94(12) no . . . .
B5 B4 B9 B12 100.13(15) no . . . .
B9 B4 B5 Cl4 114.51(18) no . . . .
B9 B4 B5 C19 -134.00(14) no . . . .
B9 B4 B5 B6 -101.45(15) no . . . .
B9 B4 B5 B9 0.00(9) no . . . .
B9 B4 B5 B10 -37.68(13) no . . . .
B8 B4 B9 Cl8 111.40(17) no . . . .
B8 B4 B9 B5 -137.48(14) no . . . .
B8 B4 B9 B8 -0.00(9) no . . . .
B8 B4 B9 B10 -100.54(15) no . . . .
B8 B4 B9 B12 -37.35(12) no . . . .
B9 B4 B8 Cl7 -111.37(19) no . . . .
B9 B4 B8 B3 138.21(14) no . . . .
B9 B4 B8 B7 100.73(15) no . . . .
B9 B4 B8 B9 0.00(9) no . . . .
B9 B4 B8 B12 37.46(13) no . . . .
Cl4 B5 B6 Cl5 2.2(3) no . . . .
Cl4 B5 B6 C19 112.11(16) no . . . .
Cl4 B5 B6 B2 145.34(13) no . . . .
Cl4 B5 B6 B10 -113.84(15) no . . . .
Cl4 B5 B6 B11 -151.46(12) no . . . .
Cl4 B5 B9 Cl8 1.4(3) no . . . .
Cl4 B5 B9 B4 -109.03(16) no . . . .
Cl4 B5 B9 B8 -146.90(13) no . . . .
Cl4 B5 B9 B10 112.47(16) no . . . .
Cl4 B5 B9 B12 149.89(13) no . . . .
Cl4 B5 B10 Cl9 -4.2(3) no . . . .
Cl4 B5 B10 B6 107.60(16) no . . . .
Cl4 B5 B10 B9 -114.10(17) no . . . .
Cl4 B5 B10 B11 144.83(14) no . . . .
Cl4 B5 B10 B12 -151.74(13) no . . . .
C19 B5 B6 Cl5 -109.92(17) no . . . .
C19 B5 B6 C19 0.00(8) no . . . .
C19 B5 B6 B2 33.23(12) no . . . .
C19 B5 B6 B10 134.05(13) no . . . .
C19 B5 B6 B11 96.44(13) no . . . .
C19 B5 B9 Cl8 149.91(14) no . . . .
C19 B5 B9 B4 39.49(11) no . . . .
C19 B5 B9 B8 1.62(18) no . . . .
C19 B5 B9 B10 -99.01(13) no . . . .
C19 B5 B9 B12 -61.60(16) no . . . .
C19 B5 B10 Cl9 -151.31(15) no . . . .
C19 B5 B10 B6 -39.47(11) no . . . .
C19 B5 B10 B9 98.83(13) no . . . .
C19 B5 B10 B11 -2.23(17) no . . . .
C19 B5 B10 B12 61.19(17) no . . . .
B4 B5 B6 Cl5 -142.48(15) no . . . .
B4 B5 B6 C19 -32.56(12) no . . . .
B4 B5 B6 B2 0.67(19) no . . . .
B4 B5 B6 B10 101.49(15) no . . . .
B4 B5 B6 B11 63.88(17) no . . . .
B4 B5 B9 Cl8 110.41(17) no . . . .
B4 B5 B9 B4 0.00(8) no . . . .
B4 B5 B9 B8 -37.87(12) no . . . .
B4 B5 B9 B10 -138.50(13) no . . . .
B4 B5 B9 B12 -101.09(14) no . . . .
B4 B5 B10 Cl9 147.14(15) no . . . .
B4 B5 B10 B6 -101.01(15) no . . . .
B4 B5 B10 B9 37.28(13) no . . . .
B4 B5 B10 B11 -63.78(18) no . . . .
B4 B5 B10 B12 -0.4(2) no . . . .
B6 B5 B9 Cl8 -148.60(14) no . . . .
B6 B5 B9 B4 100.99(13) no . . . .
B6 B5 B9 B8 63.12(17) no . . . .
B6 B5 B9 B10 -37.51(11) no . . . .
B6 B5 B9 B12 -0.10(17) no . . . .
B9 B5 B6 Cl5 153.89(14) no . . . .
B9 B5 B6 C19 -96.20(13) no . . . .
B9 B5 B6 B2 -62.96(17) no . . . .
B9 B5 B6 B10 37.85(11) no . . . .
B9 B5 B6 B11 0.24(17) no . . . .
B6 B5 B10 Cl9 -111.84(17) no . . . .
B6 B5 B10 B6 0.00(7) no . . . .
B6 B5 B10 B9 138.30(12) no . . . .
B6 B5 B10 B11 37.23(12) no . . . .
B6 B5 B10 B12 100.66(14) no . . . .
B10 B5 B6 Cl5 116.03(17) no . . . .
B10 B5 B6 C19 -134.05(12) no . . . .
B10 B5 B6 B2 -100.82(14) no . . . .
B10 B5 B6 B10 0.00(7) no . . . .
B10 B5 B6 B11 -37.61(11) no . . . .
B9 B5 B10 Cl9 109.86(18) no . . . .
B9 B5 B10 B6 -138.30(12) no . . . .
B9 B5 B10 B9 -0.00(8) no . . . .
B9 B5 B10 B11 -101.06(14) no . . . .
B9 B5 B10 B12 -37.64(12) no . . . .
B10 B5 B9 Cl8 -111.09(17) no . . . .
B10 B5 B9 B4 138.50(13) no . . . .
B10 B5 B9 B8 100.63(14) no . . . .
B10 B5 B9 B10 -0.00(8) no . . . .
B10 B5 B9 B12 37.41(12) no . . . .
Cl5 B6 B10 Cl9 1.4(3) no . . . .
Cl5 B6 B10 B5 -108.73(16) no . . . .
Cl5 B6 B10 B9 -145.87(13) no . . . .
Cl5 B6 B10 B11 113.06(16) no . . . .
Cl5 B6 B10 B12 150.64(13) no . . . .
Cl5 B6 B11 Cl10 -2.8(3) no . . . .
Cl5 B6 B11 B2 107.18(16) no . . . .
Cl5 B6 B11 B7 144.15(13) no . . . .
Cl5 B6 B11 B10 -115.54(16) no . . . .
Cl5 B6 B11 B12 -152.97(13) no . . . .
C19 B6 B10 Cl9 149.32(14) no . . . .
C19 B6 B10 B5 39.19(10) no . . . .
C19 B6 B10 B9 2.05(16) no . . . .
C19 B6 B10 B11 -99.02(12) no . . . .
C19 B6 B10 B12 -61.44(16) no . . . .
C19 B6 B11 Cl10 -149.06(15) no . . . .
C19 B6 B11 B2 -39.04(12) no . . . .
C19 B6 B11 B7 -2.06(19) no . . . .
C19 B6 B11 B10 98.24(14) no . . . .
C19 B6 B11 B12 60.81(17) no . . . .
B2 B6 B10 Cl9 -149.72(14) no . . . .
B2 B6 B10 B5 100.15(14) no . . . .
B2 B6 B10 B9 63.01(16) no . . . .
B2 B6 B10 B11 -38.06(12) no . . . .
B2 B6 B10 B12 -0.48(18) no . . . .
B2 B6 B11 Cl10 -110.02(19) no . . . .
B2 B6 B11 B2 -0.00(9) no . . . .
B2 B6 B11 B7 36.98(13) no . . . .
B2 B6 B11 B10 137.28(14) no . . . .
B2 B6 B11 B12 99.85(14) no . . . .
B5 B6 B10 Cl9 110.14(16) no . . . .
B5 B6 B10 B5 0.00(7) no . . . .
B5 B6 B10 B9 -37.14(11) no . . . .
B5 B6 B10 B11 -138.21(12) no . . . .
B5 B6 B10 B12 -100.63(14) no . . . .
B5 B6 B11 Cl10 149.85(15) no . . . .
B5 B6 B11 B2 -100.13(13) no . . . .
B5 B6 B11 B7 -63.16(17) no . . . .
B5 B6 B11 B10 37.15(11) no . . . .
B5 B6 B11 B12 -0.28(17) no . . . .
B10 B6 B11 Cl10 112.70(17) no . . . .
B10 B6 B11 B2 -137.28(13) no . . . .
B10 B6 B11 B7 -100.30(15) no . . . .
B10 B6 B11 B10 0.00(8) no . . . .
B10 B6 B11 B12 -37.43(12) no . . . .
B11 B6 B10 Cl9 -111.66(17) no . . . .
B11 B6 B10 B5 138.21(12) no . . . .
B11 B6 B10 B9 101.07(13) no . . . .
B11 B6 B10 B11 0.00(8) no . . . .
B11 B6 B10 B12 37.58(12) no . . . .
Cl6 B7 B8 Cl7 -0.1(3) no . . . .
Cl6 B7 B8 B3 109.96(16) no . . . .
Cl6 B7 B8 B4 147.76(13) no . . . .
Cl6 B7 B8 B9 -148.94(13) no . . . .
Cl6 B7 B8 B12 -111.79(17) no . . . .
Cl6 B7 B11 Cl10 -0.7(3) no . . . .
Cl6 B7 B11 B2 -110.11(17) no . . . .
Cl6 B7 B11 B6 -147.43(14) no . . . .
Cl6 B7 B11 B10 149.51(14) no . . . .
Cl6 B7 B11 B12 112.29(17) no . . . .
Cl6 B7 B12 Cl11 0.2(3) no . . . .
Cl6 B7 B12 B8 111.74(15) no . . . .
Cl6 B7 B12 B9 148.77(13) no . . . .
Cl6 B7 B12 B10 -147.56(13) no . . . .
Cl6 B7 B12 B11 -109.97(15) no . . . .
B2 B7 B8 Cl7 -147.81(15) no . . . .
B2 B7 B8 B3 -37.78(12) no . . . .
B2 B7 B8 B4 0.02(18) no . . . .
B2 B7 B8 B9 63.31(18) no . . . .
B2 B7 B8 B12 100.47(14) no . . . .
B2 B7 B11 Cl10 109.42(19) no . . . .
B2 B7 B11 B2 0.00(9) no . . . .
B2 B7 B11 B6 -37.32(13) no . . . .
B2 B7 B11 B10 -100.38(15) no . . . .
B2 B7 B11 B12 -137.60(14) no . . . .
B2 B7 B12 Cl11 147.80(14) no . . . .
B2 B7 B12 B8 -100.64(14) no . . . .
B2 B7 B12 B9 -63.61(17) no . . . .
B2 B7 B12 B10 0.05(18) no . . . .
B2 B7 B12 B11 37.65(12) no . . . .
B3 B7 B8 Cl7 -110.04(17) no . . . .
B3 B7 B8 B3 0.00(7) no . . . .
B3 B7 B8 B4 37.80(12) no . . . .
B3 B7 B8 B9 101.09(14) no . . . .
B3 B7 B8 B12 138.25(12) no . . . .
B3 B7 B11 Cl10 146.63(16) no . . . .
B3 B7 B11 B2 37.21(13) no . . . .
B3 B7 B11 B6 -0.1(2) no . . . .
B3 B7 B11 B10 -63.17(19) no . . . .
B3 B7 B11 B12 -100.38(15) no . . . .
B3 B7 B12 Cl11 -148.60(14) no . . . .
B3 B7 B12 B8 -37.05(12) no . . . .
B3 B7 B12 B9 -0.02(18) no . . . .
B3 B7 B12 B10 63.65(17) no . . . .
B3 B7 B12 B11 101.24(14) no . . . .
B8 B7 B11 Cl10 -150.36(16) no . . . .
B8 B7 B11 B2 100.23(15) no . . . .
B8 B7 B11 B6 62.91(19) no . . . .
B8 B7 B11 B10 -0.16(19) no . . . .
B8 B7 B11 B12 -37.37(13) no . . . .
B11 B7 B8 Cl7 149.07(15) no . . . .
B11 B7 B8 B3 -100.89(14) no . . . .
B11 B7 B8 B4 -63.10(18) no . . . .
B11 B7 B8 B9 0.2(2) no . . . .
B11 B7 B8 B12 37.36(12) no . . . .
B8 B7 B12 Cl11 -111.55(17) no . . . .
B8 B7 B12 B8 -0.00(8) no . . . .
B8 B7 B12 B9 37.03(12) no . . . .
B8 B7 B12 B10 100.70(14) no . . . .
B8 B7 B12 B11 138.29(13) no . . . .
B12 B7 B8 Cl7 111.72(18) no . . . .
B12 B7 B8 B3 -138.25(13) no . . . .
B12 B7 B8 B4 -100.45(14) no . . . .
B12 B7 B8 B9 -37.16(13) no . . . .
B12 B7 B8 B12 0.00(8) no . . . .
B11 B7 B12 Cl11 110.16(17) no . . . .
B11 B7 B12 B8 -138.29(13) no . . . .
B11 B7 B12 B9 -101.26(14) no . . . .
B11 B7 B12 B10 -37.59(12) no . . . .
B11 B7 B12 B11 0.00(8) no . . . .
B12 B7 B11 Cl10 -112.99(19) no . . . .
B12 B7 B11 B2 137.60(13) no . . . .
B12 B7 B11 B6 100.28(15) no . . . .
B12 B7 B11 B10 37.21(13) no . . . .
B12 B7 B11 B12 0.00(8) no . . . .
Cl7 B8 B9 Cl8 0.2(3) no . . . .
Cl7 B8 B9 B4 110.16(16) no . . . .
Cl7 B8 B9 B5 148.28(13) no . . . .
Cl7 B8 B9 B10 -148.83(13) no . . . .
Cl7 B8 B9 B12 -111.68(16) no . . . .
Cl7 B8 B12 Cl11 0.3(3) no . . . .
Cl7 B8 B12 B7 -110.28(16) no . . . .
Cl7 B8 B12 B9 111.14(17) no . . . .
Cl7 B8 B12 B10 148.48(13) no . . . .
Cl7 B8 B12 B11 -147.82(13) no . . . .
B3 B8 B9 Cl8 -147.73(15) no . . . .
B3 B8 B9 B4 -37.72(12) no . . . .
B3 B8 B9 B5 0.40(19) no . . . .
B3 B8 B9 B10 63.29(18) no . . . .
B3 B8 B9 B12 100.43(15) no . . . .
B3 B8 B12 Cl11 147.84(15) no . . . .
B3 B8 B12 B7 37.24(11) no . . . .
B3 B8 B12 B9 -101.34(14) no . . . .
B3 B8 B12 B10 -64.00(17) no . . . .
B3 B8 B12 B11 -0.30(17) no . . . .
B4 B8 B9 Cl8 -110.01(18) no . . . .
B4 B8 B9 B4 0.00(9) no . . . .
B4 B8 B9 B5 38.12(13) no . . . .
B4 B8 B9 B10 101.01(15) no . . . .
B4 B8 B9 B12 138.16(14) no . . . .
B4 B8 B12 Cl11 -148.10(15) no . . . .
B4 B8 B12 B7 101.30(16) no . . . .
B4 B8 B12 B9 -37.28(13) no . . . .
B4 B8 B12 B10 0.1(2) no . . . .
B4 B8 B12 B11 63.76(18) no . . . .
B7 B8 B9 Cl8 148.82(15) no . . . .
B7 B8 B9 B4 -101.17(15) no . . . .
B7 B8 B9 B5 -63.05(18) no . . . .
B7 B8 B9 B10 -0.2(2) no . . . .
B7 B8 B9 B12 36.99(13) no . . . .
B7 B8 B12 Cl11 110.60(17) no . . . .
B7 B8 B12 B7 0.00(8) no . . . .
B7 B8 B12 B9 -138.58(14) no . . . .
B7 B8 B12 B10 -101.24(15) no . . . .
B7 B8 B12 B11 -37.54(12) no . . . .
B9 B8 B12 Cl11 -110.82(19) no . . . .
B9 B8 B12 B7 138.58(14) no . . . .
B9 B8 B12 B9 0.00(9) no . . . .
B9 B8 B12 B10 37.34(13) no . . . .
B9 B8 B12 B11 101.04(15) no . . . .
B12 B8 B9 Cl8 111.84(18) no . . . .
B12 B8 B9 B4 -138.16(15) no . . . .
B12 B8 B9 B5 -100.04(15) no . . . .
B12 B8 B9 B10 -37.15(13) no . . . .
B12 B8 B9 B12 -0.00(9) no . . . .
Cl8 B9 B10 Cl9 0.1(3) no . . . .
Cl8 B9 B10 B5 110.42(15) no . . . .
Cl8 B9 B10 B6 147.92(13) no . . . .
Cl8 B9 B10 B11 -148.92(13) no . . . .
Cl8 B9 B10 B12 -111.76(16) no . . . .
Cl8 B9 B12 Cl11 0.4(3) no . . . .
Cl8 B9 B12 B7 -148.05(12) no . . . .
Cl8 B9 B12 B8 -110.90(15) no . . . .
Cl8 B9 B12 B10 110.80(14) no . . . .
Cl8 B9 B12 B11 148.04(12) no . . . .
B4 B9 B10 Cl9 -147.61(14) no . . . .
B4 B9 B10 B5 -37.32(11) no . . . .
B4 B9 B10 B6 0.18(17) no . . . .
B4 B9 B10 B11 63.34(17) no . . . .
B4 B9 B10 B12 100.50(13) no . . . .
B4 B9 B12 Cl11 148.63(14) no . . . .
B4 B9 B12 B7 0.15(18) no . . . .
B4 B9 B12 B8 37.30(12) no . . . .
B4 B9 B12 B10 -101.00(14) no . . . .
B4 B9 B12 B11 -63.76(16) no . . . .
B5 B9 B10 Cl9 -110.29(16) no . . . .
B5 B9 B10 B5 0.00(8) no . . . .
B5 B9 B10 B6 37.50(12) no . . . .
B5 B9 B10 B11 100.66(15) no . . . .
B5 B9 B10 B12 137.82(13) no . . . .
B5 B9 B12 Cl11 -147.68(14) no . . . .
B5 B9 B12 B7 63.84(16) no . . . .
B5 B9 B12 B8 100.99(14) no . . . .
B5 B9 B12 B10 -37.31(11) no . . . .
B5 B9 B12 B11 -0.07(18) no . . . .
B8 B9 B10 Cl9 149.12(15) no . . . .
B8 B9 B10 B5 -100.59(15) no . . . .
B8 B9 B10 B6 -63.09(17) no . . . .
B8 B9 B10 B11 0.07(19) no . . . .
B8 B9 B10 B12 37.23(12) no . . . .
B8 B9 B12 Cl11 111.33(17) no . . . .
B8 B9 B12 B7 -37.15(13) no . . . .
B8 B9 B12 B8 0.00(9) no . . . .
B8 B9 B12 B10 -138.30(15) no . . . .
B8 B9 B12 B11 -101.06(15) no . . . .
B10 B9 B12 Cl11 -110.37(17) no . . . .
B10 B9 B12 B7 101.15(15) no . . . .
B10 B9 B12 B8 138.30(15) no . . . .
B10 B9 B12 B10 0.00(9) no . . . .
B10 B9 B12 B11 37.24(12) no . . . .
B12 B9 B10 Cl9 111.89(18) no . . . .
B12 B9 B10 B5 -137.82(14) no . . . .
B12 B9 B10 B6 -100.32(14) no . . . .
B12 B9 B10 B11 -37.17(13) no . . . .
B12 B9 B10 B12 0.00(9) no . . . .
Cl9 B10 B11 Cl10 1.4(3) no . . . .
Cl9 B10 B11 B2 149.05(13) no . . . .
Cl9 B10 B11 B6 110.93(16) no . . . .
Cl9 B10 B11 B7 -148.33(13) no . . . .
Cl9 B10 B11 B12 -111.20(16) no . . . .
Cl9 B10 B12 Cl11 1.6(3) no . . . .
Cl9 B10 B12 B7 149.47(13) no . . . .
Cl9 B10 B12 B8 -146.87(13) no . . . .
Cl9 B10 B12 B9 -109.64(16) no . . . .
Cl9 B10 B12 B11 111.81(16) no . . . .
B5 B10 B11 Cl10 -147.12(15) no . . . .
B5 B10 B11 B2 0.54(18) no . . . .
B5 B10 B11 B6 -37.58(12) no . . . .
B5 B10 B11 B7 63.16(17) no . . . .
B5 B10 B11 B12 100.29(14) no . . . .
B5 B10 B12 Cl11 148.67(15) no . . . .
B5 B10 B12 B7 -63.47(18) no . . . .
B5 B10 B12 B8 0.2(2) no . . . .
B5 B10 B12 B9 37.41(13) no . . . .
B5 B10 B12 B11 -101.14(15) no . . . .
B6 B10 B11 Cl10 -109.55(18) no . . . .
B6 B10 B11 B2 38.12(12) no . . . .
B6 B10 B11 B6 0.00(8) no . . . .
B6 B10 B11 B7 100.73(14) no . . . .
B6 B10 B11 B12 137.87(13) no . . . .
B6 B10 B12 Cl11 -147.59(15) no . . . .
B6 B10 B12 B7 0.27(18) no . . . .
B6 B10 B12 B8 63.92(18) no . . . .
B6 B10 B12 B9 101.16(14) no . . . .
B6 B10 B12 B11 -37.40(12) no . . . .
B9 B10 B11 Cl10 149.78(15) no . . . .
B9 B10 B11 B2 -62.56(18) no . . . .
B9 B10 B11 B6 -100.67(14) no . . . .
B9 B10 B11 B7 0.06(19) no . . . .
B9 B10 B11 B12 37.19(12) no . . . .
B9 B10 B12 Cl11 111.26(18) no . . . .
B9 B10 B12 B7 -100.89(15) no . . . .
B9 B10 B12 B8 -37.23(13) no . . . .
B9 B10 B12 B9 0.00(9) no . . . .
B9 B10 B12 B11 -138.56(14) no . . . .
B11 B10 B12 Cl11 -110.19(17) no . . . .
B11 B10 B12 B7 37.67(12) no . . . .
B11 B10 B12 B8 101.32(16) no . . . .
B11 B10 B12 B9 138.56(14) no . . . .
B11 B10 B12 B11 0.00(8) no . . . .
B12 B10 B11 Cl10 112.58(18) no . . . .
B12 B10 B11 B2 -99.75(14) no . . . .
B12 B10 B11 B6 -137.87(13) no . . . .
B12 B10 B11 B7 -37.14(13) no . . . .
B12 B10 B11 B12 0.00(8) no . . . .
Cl10 B11 B12 Cl11 -1.1(3) no . . . .
Cl10 B11 B12 B7 110.08(15) no . . . .
Cl10 B11 B12 B8 147.53(13) no . . . .
Cl10 B11 B12 B9 -149.01(13) no . . . .
Cl10 B11 B12 B10 -111.80(15) no . . . .
B2 B11 B12 Cl11 -148.50(14) no . . . .
B2 B11 B12 B7 -37.36(11) no . . . .
B2 B11 B12 B8 0.10(17) no . . . .
B2 B11 B12 B9 63.55(16) no . . . .
B2 B11 B12 B10 100.77(13) no . . . .
B6 B11 B12 Cl11 148.17(14) no . . . .
B6 B11 B12 B7 -100.69(14) no . . . .
B6 B11 B12 B8 -63.23(16) no . . . .
B6 B11 B12 B9 0.22(18) no . . . .
B6 B11 B12 B10 37.44(11) no . . . .
B7 B11 B12 Cl11 -111.14(16) no . . . .
B7 B11 B12 B7 0.00(8) no . . . .
B7 B11 B12 B8 37.45(12) no . . . .
B7 B11 B12 B9 100.91(14) no . . . .
B7 B11 B12 B10 138.12(13) no . . . .
B10 B11 B12 Cl11 110.74(17) no . . . .
B10 B11 B12 B7 -138.12(13) no . . . .
B10 B11 B12 B8 -100.67(14) no . . . .
B10 B11 B12 B9 -37.21(12) no . . . .
B10 B11 B12 B10 0.00(8) no . . . .
