#------------------------------------------------------------------------------
#$Date: 2016-08-07 11:58:44 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185392 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/94/7039416.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_7039416
loop_
_publ_author_name
'Fontanet, Mònica'
'Rodríguez, Montserrat'
'Fontrodona, Xavier'
'Romero, Isabel'
'Teixidor, Francesc'
'Viñas, Clara'
'Aliaga-Alcalde, Núria'
_publ_section_title
;
 Carving a 1D Co(II)-carboranylcarboxylate system by using organic
 solvents to create stable trinuclear molecular analogues: complete
 structural and magnetic studies.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10916
_journal_page_last               10927
_journal_paper_doi               10.1039/c6dt01744d
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C32 H86 B40 Co2 O13'
_chemical_formula_sum            'C32 H86 B40 Co2 O13'
_chemical_formula_weight         1229.26
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           56
_space_group_name_Hall           '-P 2ab 2ac'
_space_group_name_H-M_alt        'P c c n'
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-04-01 deposited with the CCDC.
2016-06-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.392(5)
_cell_length_b                   22.830(10)
_cell_length_c                   23.802(10)
_cell_measurement_reflns_used    8405
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.38
_cell_measurement_theta_min      1.93
_cell_volume                     6734(5)
_computing_cell_refinement       'BRUKER SMART'
_computing_data_collection       'BRUKER SMART'
_computing_data_reduction        'BRUKER SAINT+'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    SHELXTL
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  ccd
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0485
_diffrn_reflns_av_unetI/netI     0.0272
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            101699
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.383
_diffrn_reflns_theta_min         1.930
_exptl_absorpt_coefficient_mu    0.542
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.983725
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS v2.1 BRUKER 2001'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.212
_exptl_crystal_description       block
_exptl_crystal_F_000             2544
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.534
_refine_diff_density_min         -0.306
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     399
_refine_ls_number_reflns         8405
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0983
_refine_ls_R_factor_gt           0.0636
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1234P)²+2.8518P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1888
_refine_ls_wR_factor_ref         0.2183
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5340
_reflns_number_total             8405
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt01744d2.cif
_cod_data_source_block           mfcco2
_cod_depositor_comments
'Adding full bibliography for 7039416--7039417.cif.'
_cod_database_code               7039416
_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.
;
_shelxl_version_number           2013-3
_solvent_exptl_crystal_recrystallization_method 'THF, pentane, Diethylether'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-x, y+1/2, -z+1/2'
'x+1/2, -y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'x, -y-1/2, z-1/2'
'-x-1/2, y, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Co1 Co 0.88563(3) 0.22381(2) 0.11681(2) 0.04855(16) Uani 1 1 d . . .
O1 O 0.98236(17) 0.27231(9) 0.05988(9) 0.0583(5) Uani 1 1 d . . .
C1 C 0.9505(3) 0.30977(16) 0.02643(16) 0.0709(9) Uani 1 1 d . . .
B1 B 1.1411(6) 0.3067(3) -0.0313(4) 0.155(4) Uani 1 1 d . . .
H1 H 1.1534 0.2597 -0.0233 0.186 Uiso 1 1 calc R U .
C2 C 1.0363(3) 0.34291(14) -0.00696(14) 0.0658(8) Uani 1 1 d . . .
O2 O 0.8574(2) 0.32429(19) 0.01719(18) 0.1487(19) Uani 1 1 d . . .
B2 B 1.1585(6) 0.3554(4) 0.0204(4) 0.159(4) Uani 1 1 d . . .
H2 H 1.1804 0.3421 0.0634 0.191 Uiso 1 1 calc R U .
O3 O 0.87497(17) 0.29484(11) 0.16845(11) 0.0665(6) Uani 1 1 d . . .
C3 C 1.0377(5) 0.3367(3) -0.0755(2) 0.123(2) Uani 1 1 d . . .
B3 B 1.0780(7) 0.4094(3) 0.0120(3) 0.133(3) Uani 1 1 d . . .
H3 H 1.0473 0.4323 0.0494 0.159 Uiso 1 1 calc R U .
O4 O 0.79531(17) 0.17441(10) 0.17400(9) 0.0621(5) Uani 1 1 d . . .
B4 B 0.9977(5) 0.4008(3) -0.0463(3) 0.114(2) Uani 1 1 d . . .
H4 H 0.9145 0.4175 -0.0477 0.137 Uiso 1 1 calc R U .
C4 C 0.9531(12) 0.2986(6) -0.1023(3) 0.295(9) Uani 1 1 d . . .
H4A H 0.8830 0.3099 -0.0888 0.442 Uiso 1 1 calc R U .
H4B H 0.9664 0.2584 -0.0928 0.442 Uiso 1 1 calc R U .
H4C H 0.9558 0.3032 -0.1424 0.442 Uiso 1 1 calc R U .
O5 O 0.89714(19) 0.14931(9) 0.06599(10) 0.0659(6) Uani 1 1 d . . .
C5 C 0.8010(3) 0.32542(13) 0.18717(12) 0.0537(7) Uani 1 1 d . . .
B5 B 1.2455(6) 0.3542(5) -0.0381(6) 0.188(5) Uani 1 1 d . . .
H5 H 1.3297 0.3391 -0.0357 0.225 Uiso 1 1 calc R U .
O6 O 1.02572(17) 0.19657(11) 0.15748(9) 0.0671(6) Uani 1 1 d . . .
C6 C 0.8340(3) 0.36835(15) 0.23377(14) 0.0648(8) Uani 1 1 d . . .
B6 B 1.2112(8) 0.4156(5) -0.0103(4) 0.167(4) Uani 1 1 d . . .
H6 H 1.2725 0.4420 0.0115 0.201 Uiso 1 1 calc R U .
B7 B 1.1088(6) 0.4461(3) -0.0509(4) 0.146(4) Uani 1 1 d . . .
H7 H 1.0998 0.4937 -0.0556 0.175 Uiso 1 1 calc R U .
C7 C 0.9375(4) 0.4129(2) 0.22396(18) 0.0974(14) Uani 1 1 d . . .
B8 B 1.0790(8) 0.4003(4) -0.1056(3) 0.138(3) Uani 1 1 d . . .
H8 H 1.0496 0.4152 -0.1468 0.166 Uiso 1 1 calc R U .
C8 C 0.9899(7) 0.4116(4) 0.1669(3) 0.203(4) Uani 1 1 d . . .
H8A H 1.0183 0.3732 0.1598 0.304 Uiso 1 1 calc R U .
H8B H 1.0475 0.4397 0.1657 0.304 Uiso 1 1 calc R U .
H8C H 0.9373 0.4211 0.1387 0.304 Uiso 1 1 calc R U .
C9 C 0.8737(6) 0.09067(19) 0.0844(2) 0.133(2) Uani 1 1 d . . .
H9A H 0.9086 0.0830 0.1202 0.159 Uiso 1 1 calc R U .
H9B H 0.7966 0.0856 0.0890 0.159 Uiso 1 1 calc R U .
B9 B 1.1748(10) 0.3388(3) -0.0948(5) 0.171(5) Uani 1 1 d . . .
H9 H 1.2095 0.3125 -0.1290 0.205 Uiso 1 1 calc R U .
O10 O 0.7500 0.2500 0.07162(12) 0.0550(7) Uani 1 2 d S T P
H10C H 0.719(4) 0.2202(16) 0.0512(18) 0.098(14) Uiso 1 1 d . . .
C10 C 0.9135(8) 0.0517(2) 0.0427(3) 0.161(3) Uani 1 1 d . . .
H10A H 0.9844 0.0373 0.0531 0.193 Uiso 1 1 calc R U .
H10B H 0.8653 0.0185 0.0384 0.193 Uiso 1 1 calc R U .
B10 B 1.2125(6) 0.4114(3) -0.0821(4) 0.133(3) Uani 1 1 d . . .
H10 H 1.2701 0.4351 -0.1090 0.160 Uiso 1 1 calc R U .
B11 B 0.9558(5) 0.3572(3) 0.2659(3) 0.1070(19) Uani 1 1 d . . .
H11 H 1.0089 0.3202 0.2554 0.128 Uiso 1 1 calc R U .
C11 C 0.9188(8) 0.0833(2) -0.0063(2) 0.170(4) Uani 1 1 d . . .
H11A H 0.8583 0.0732 -0.0302 0.204 Uiso 1 1 calc R U .
H11B H 0.9849 0.0737 -0.0262 0.204 Uiso 1 1 calc R U .
C12 C 0.9164(4) 0.14629(18) 0.00649(16) 0.0912(13) Uani 1 1 d . . .
H12A H 0.9846 0.1646 -0.0031 0.109 Uiso 1 1 calc R U .
H12B H 0.8591 0.1656 -0.0141 0.109 Uiso 1 1 calc R U .
B12 B 0.8433(7) 0.3452(3) 0.3008(2) 0.123(2) Uani 1 1 d . . .
H12 H 0.8218 0.3006 0.3144 0.148 Uiso 1 1 calc R U .
C13 C 1.1253(3) 0.1878(3) 0.1305(2) 0.121(2) Uani 1 1 d . . .
H13A H 1.1559 0.2249 0.1187 0.145 Uiso 1 1 calc R U .
H13B H 1.1165 0.1630 0.0978 0.145 Uiso 1 1 calc R U .
B13 B 0.7440(5) 0.3991(4) 0.2759(4) 0.174(5) Uani 1 1 d . . .
H13 H 0.6565 0.3912 0.2741 0.209 Uiso 1 1 calc R U .
B14 B 0.8139(8) 0.4399(2) 0.2237(3) 0.139(3) Uani 1 1 d . . .
H14 H 0.7752 0.4583 0.1860 0.167 Uiso 1 1 calc R U .
C14 C 1.1954(5) 0.1592(4) 0.1724(3) 0.174(4) Uani 1 1 d . . .
H14A H 1.2053 0.1183 0.1629 0.208 Uiso 1 1 calc R U .
H14C H 1.2656 0.1780 0.1730 0.208 Uiso 1 1 calc R U .
B15 B 0.9466(7) 0.3854(3) 0.3326(3) 0.123(2) Uani 1 1 d . . .
H15 H 0.9952 0.3684 0.3676 0.148 Uiso 1 1 calc R U .
C15 C 1.1471(6) 0.1642(4) 0.2238(3) 0.180(4) Uani 1 1 d . . .
H15A H 1.1828 0.1941 0.2458 0.216 Uiso 1 1 calc R U .
H15B H 1.1520 0.1273 0.2439 0.216 Uiso 1 1 calc R U .
C16 C 1.0350(4) 0.1797(3) 0.21502(19) 0.1195(19) Uani 1 1 d . . .
H16A H 0.9885 0.1465 0.2229 0.143 Uiso 1 1 calc R U .
H16B H 1.0145 0.2119 0.2394 0.143 Uiso 1 1 calc R U .
B16 B 0.8165(7) 0.4078(5) 0.3410(3) 0.167(4) Uani 1 1 d . . .
H16 H 0.7767 0.4036 0.3821 0.201 Uiso 1 1 calc R U .
B17 B 0.7932(8) 0.4680(5) 0.2922(5) 0.205(6) Uani 1 1 d . . .
H17 H 0.7375 0.5046 0.2999 0.246 Uiso 1 1 calc R U .
B18 B 0.9202(8) 0.4753(3) 0.2583(3) 0.140(3) Uani 1 1 d . . .
H18 H 0.9521 0.5176 0.2437 0.168 Uiso 1 1 calc R U .
B19 B 1.0039(6) 0.4262(3) 0.2833(3) 0.131(2) Uani 1 1 d . . .
H19 H 1.0907 0.4362 0.2854 0.157 Uiso 1 1 calc R U .
B20 B 0.9106(6) 0.4596(3) 0.3292(3) 0.126(2) Uani 1 1 d . . .
H20 H 0.9294 0.4918 0.3622 0.151 Uiso 1 1 calc R U .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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
O3 Co1 O6 90.64(10) . .
O3 Co1 O10 91.76(8) . .
O6 Co1 O10 176.61(9) . .
O3 Co1 O5 178.25(10) . .
O6 Co1 O5 88.23(10) . .
O10 Co1 O5 89.42(8) . .
O3 Co1 O4 90.10(10) . .
O6 Co1 O4 89.01(9) . .
O10 Co1 O4 93.39(8) . .
O5 Co1 O4 88.54(9) . .
O3 Co1 O1 90.37(10) . .
O6 Co1 O1 88.95(9) . .
O10 Co1 O1 88.63(8) . .
O5 Co1 O1 90.95(9) . .
O4 Co1 O1 177.91(8) . .
C1 O1 Co1 126.4(2) . .
O2 C1 O1 127.4(3) . .
O2 C1 C2 115.4(3) . .
O1 C1 C2 117.1(3) . .
C2 B1 B2 60.5(4) . .
C2 B1 B5 108.3(6) . .
B2 B1 B5 63.1(7) . .
C2 B1 B9 106.6(5) . .
B2 B1 B9 109.3(5) . .
B5 B1 B9 57.4(5) . .
C2 B1 C3 56.6(3) . .
B2 B1 C3 105.6(4) . .
B5 B1 C3 104.2(5) . .
B9 B1 C3 59.9(6) . .
C1 C2 C3 118.9(3) . .
C1 C2 B1 118.9(3) . .
C3 C2 B1 66.2(5) . .
C1 C2 B3 121.7(4) . .
C3 C2 B3 110.2(4) . .
B1 C2 B3 108.0(5) . .
C1 C2 B2 120.8(4) . .
C3 C2 B2 113.1(5) . .
B1 C2 B2 60.6(5) . .
B3 C2 B2 57.2(5) . .
C1 C2 B4 118.6(3) . .
C3 C2 B4 61.2(4) . .
B1 C2 B4 114.9(4) . .
B3 C2 B4 61.7(4) . .
B2 C2 B4 109.8(4) . .
B3 B2 C2 61.2(4) . .
B3 B2 B1 109.9(6) . .
C2 B2 B1 58.9(4) . .
B3 B2 B6 63.9(6) . .
C2 B2 B6 108.7(5) . .
B1 B2 B6 105.7(7) . .
B3 B2 B5 107.1(5) . .
C2 B2 B5 104.0(7) . .
B1 B2 B5 59.1(7) . .
B6 B2 B5 55.5(5) . .
C5 O3 Co1 135.6(2) . .
C4 C3 C2 117.7(5) . .
C4 C3 B4 118.0(9) . .
C2 C3 B4 60.9(3) . .
C4 C3 B8 121.7(7) . .
C2 C3 B8 110.5(5) . .
B4 C3 B8 61.5(4) . .
C4 C3 B9 125.3(8) . .
C2 C3 B9 105.6(6) . .
B4 C3 B9 111.5(5) . .
B8 C3 B9 64.9(5) . .
C4 C3 B1 121.7(8) . .
C2 C3 B1 57.1(3) . .
B4 C3 B1 107.5(5) . .
B8 C3 B1 111.0(5) . .
B9 C3 B1 58.3(5) . .
B2 B3 C2 61.6(4) . .
B2 B3 B4 112.0(6) . .
C2 B3 B4 59.8(3) . .
B2 B3 B6 60.6(5) . .
C2 B3 B6 106.6(6) . .
B4 B3 B6 108.2(5) . .
B2 B3 B7 109.8(6) . .
C2 B3 B7 105.7(5) . .
B4 B3 B7 59.5(4) . .
B6 B3 B7 59.7(4) . .
C5 O4 Co1 132.9(2) 2_655 .
C2 B4 C3 57.9(3) . .
C2 B4 B3 58.5(3) . .
C3 B4 B3 105.1(4) . .
C2 B4 B7 106.1(4) . .
C3 B4 B7 105.0(4) . .
B3 B4 B7 61.3(5) . .
C2 B4 B8 106.4(4) . .
C3 B4 B8 59.4(4) . .
B3 B4 B8 108.8(5) . .
B7 B4 B8 59.3(4) . .
C12 O5 C9 106.8(3) . .
C12 O5 Co1 128.3(2) . .
C9 O5 Co1 124.5(2) . .
O4 C5 O3 128.9(3) 2_655 .
O4 C5 C6 116.0(3) 2_655 .
O3 C5 C6 115.1(3) . .
B6 B5 B9 112.5(7) . .
B6 B5 B1 108.5(6) . .
B9 B5 B1 62.4(6) . .
B6 B5 B10 61.8(5) . .
B9 B5 B10 62.4(6) . .
B1 B5 B10 111.2(7) . .
B6 B5 B2 59.9(6) . .
B9 B5 B2 109.1(5) . .
B1 B5 B2 57.9(4) . .
B10 B5 B2 108.9(7) . .
C13 O6 C16 109.2(3) . .
C13 O6 Co1 124.2(2) . .
C16 O6 Co1 126.4(2) . .
C5 C6 C7 119.8(3) . .
C5 C6 B13 121.9(3) . .
C7 C6 B13 110.4(4) . .
C5 C6 B14 118.7(3) . .
C7 C6 B14 59.6(4) . .
B13 C6 B14 64.6(5) . .
C5 C6 B12 120.1(3) . .
C7 C6 B12 105.9(3) . .
B13 C6 B12 66.8(5) . .
B14 C6 B12 117.0(4) . .
C5 C6 B11 117.6(3) . .
C7 C6 B11 58.0(3) . .
B13 C6 B11 112.8(4) . .
B14 C6 B11 110.0(4) . .
B12 C6 B11 58.0(4) . .
B5 B6 B2 64.6(6) . .
B5 B6 B10 62.5(6) . .
B2 B6 B10 113.0(8) . .
B5 B6 B7 108.3(8) . .
B2 B6 B7 106.5(5) . .
B10 B6 B7 58.4(4) . .
B5 B6 B3 107.8(6) . .
B2 B6 B3 55.6(5) . .
B10 B6 B3 108.0(6) . .
B7 B6 B3 60.6(5) . .
B10 B7 B8 62.6(5) . .
B10 B7 B4 110.8(5) . .
B8 B7 B4 60.6(5) . .
B10 B7 B6 60.0(5) . .
B8 B7 B6 109.6(6) . .
B4 B7 B6 107.9(4) . .
B10 B7 B3 108.6(5) . .
B8 B7 B3 108.1(5) . .
B4 B7 B3 59.2(4) . .
B6 B7 B3 59.7(5) . .
C8 C7 B11 118.5(6) . .
C8 C7 B14 113.8(6) . .
B11 C7 B14 115.0(5) . .
C8 C7 C6 116.8(4) . .
B11 C7 C6 62.8(3) . .
B14 C7 C6 60.7(3) . .
C8 C7 B18 121.2(5) . .
B11 C7 B18 112.7(4) . .
B14 C7 B18 63.9(4) . .
C6 C7 B18 111.0(5) . .
C8 C7 B19 123.8(5) . .
B11 C7 B19 63.5(4) . .
B14 C7 B19 113.2(5) . .
C6 C7 B19 112.2(4) . .
B18 C7 B19 59.2(4) . .
C3 B8 B7 105.4(4) . .
C3 B8 B4 59.1(3) . .
B7 B8 B4 60.1(4) . .
C3 B8 B10 105.7(5) . .
B7 B8 B10 57.9(4) . .
B4 B8 B10 106.7(6) . .
C3 B8 B9 59.2(4) . .
B7 B8 B9 102.6(7) . .
B4 B8 B9 105.3(4) . .
B10 B8 B9 57.6(5) . .
C10 C9 O5 107.5(4) . .
B5 B9 B1 60.2(6) . .
B5 B9 B10 61.0(6) . .
B1 B9 B10 108.4(7) . .
B5 B9 C3 107.7(5) . .
B1 B9 C3 61.8(4) . .
B10 B9 C3 103.8(5) . .
B5 B9 B8 107.0(6) . .
B1 B9 B8 106.7(4) . .
B10 B9 B8 58.5(5) . .
C3 B9 B8 55.9(5) . .
Co1 O10 Co1 117.82(14) . 2_655
C11 C10 C9 106.3(5) . .
B7 B10 B6 61.6(6) . .
B7 B10 B5 105.6(6) . .
B6 B10 B5 55.8(6) . .
B7 B10 B9 108.6(5) . .
B6 B10 B9 102.9(5) . .
B5 B10 B9 56.6(5) . .
B7 B10 B8 59.4(5) . .
B6 B10 B8 108.4(5) . .
B5 B10 B8 107.9(5) . .
B9 B10 B8 63.9(6) . .
C7 B11 B12 108.7(5) . .
C7 B11 C6 59.2(3) . .
B12 B11 C6 60.2(3) . .
C7 B11 B15 105.3(5) . .
B12 B11 B15 62.6(4) . .
C6 B11 B15 107.4(5) . .
C7 B11 B19 59.1(4) . .
B12 B11 B19 108.9(5) . .
C6 B11 B19 105.9(5) . .
B15 B11 B19 57.5(4) . .
C10 C11 C12 109.7(4) . .
O5 C12 C11 104.7(4) . .
B11 B12 C6 61.8(3) . .
B11 B12 B15 60.6(4) . .
C6 B12 B15 107.1(4) . .
B11 B12 B16 107.4(5) . .
C6 B12 B16 104.3(6) . .
B15 B12 B16 58.2(4) . .
B11 B12 B13 107.0(5) . .
C6 B12 B13 55.8(3) . .
B15 B12 B13 106.1(5) . .
B16 B12 B13 60.2(5) . .
O6 C13 C14 105.8(4) . .
C6 B13 B17 106.5(6) . .
C6 B13 B14 58.0(3) . .
B17 B13 B14 60.6(6) . .
C6 B13 B16 103.4(5) . .
B17 B13 B16 62.0(5) . .
B14 B13 B16 107.5(5) . .
C6 B13 B12 57.3(3) . .
B17 B13 B12 107.5(5) . .
B14 B13 B12 104.5(4) . .
B16 B13 B12 57.5(5) . .
C7 B14 C6 59.7(3) . .
C7 B14 B18 58.2(4) . .
C6 B14 B18 105.8(5) . .
C7 B14 B17 105.4(4) . .
C6 B14 B17 104.1(6) . .
B18 B14 B17 60.5(5) . .
C7 B14 B13 104.7(5) . .
C6 B14 B13 57.3(4) . .
B18 B14 B13 106.2(5) . .
B17 B14 B13 58.4(6) . .
C15 C14 C13 108.1(5) . .
B19 B15 B16 108.7(6) . .
B19 B15 B11 61.8(4) . .
B16 B15 B11 106.6(4) . .
B19 B15 B12 107.6(4) . .
B16 B15 B12 61.0(5) . .
B11 B15 B12 56.7(4) . .
B19 B15 B20 62.2(5) . .
B16 B15 B20 58.3(5) . .
B11 B15 B20 109.7(5) . .
B12 B15 B20 107.6(6) . .
C14 C15 C16 108.2(5) . .
O6 C16 C15 106.3(4) . .
B20 B16 B15 62.3(4) . .
B20 B16 B12 110.5(5) . .
B15 B16 B12 60.8(5) . .
B20 B16 B13 106.2(7) . .
B15 B16 B13 109.7(4) . .
B12 B16 B13 62.3(4) . .
B20 B16 B17 58.3(5) . .
B15 B16 B17 107.5(6) . .
B12 B16 B17 107.3(5) . .
B13 B16 B17 57.0(5) . .
B20 B17 B13 108.2(7) . .
B20 B17 B14 108.1(6) . .
B13 B17 B14 61.0(4) . .
B20 B17 B18 59.4(5) . .
B13 B17 B18 107.2(4) . .
B14 B17 B18 59.2(5) . .
B20 B17 B16 56.8(5) . .
B13 B17 B16 60.9(6) . .
B14 B17 B16 106.9(5) . .
B18 B17 B16 102.7(5) . .
B19 B18 C7 60.6(4) . .
B19 B18 B20 63.1(5) . .
C7 B18 B20 108.1(5) . .
B19 B18 B14 109.3(5) . .
C7 B18 B14 57.9(3) . .
B20 B18 B14 108.1(6) . .
B19 B18 B17 109.4(6) . .
C7 B18 B17 104.9(5) . .
B20 B18 B17 58.4(5) . .
B14 B18 B17 60.3(5) . .
B18 B19 B15 111.7(7) . .
B18 B19 C7 60.3(4) . .
B15 B19 C7 106.6(4) . .
B18 B19 B11 108.5(5) . .
B15 B19 B11 60.7(4) . .
C7 B19 B11 57.4(3) . .
B18 B19 B20 61.0(5) . .
B15 B19 B20 61.5(5) . .
C7 B19 B20 106.3(5) . .
B11 B19 B20 108.3(5) . .
B16 B20 B17 64.9(6) . .
B16 B20 B18 110.9(5) . .
B17 B20 B18 62.1(6) . .
B16 B20 B15 59.4(5) . .
B17 B20 B15 110.4(5) . .
B18 B20 B15 103.2(5) . .
B16 B20 B19 104.8(5) . .
B17 B20 B19 106.7(5) . .
B18 B20 B19 55.9(4) . .
B15 B20 B19 56.3(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O3 2.039(2) .
Co1 O6 2.083(2) .
Co1 O10 2.0832(17) .
Co1 O5 2.092(2) .
Co1 O4 2.092(2) .
Co1 O1 2.121(2) .
O1 C1 1.233(4) .
C1 O2 1.221(4) .
C1 C2 1.528(5) .
B1 C2 1.646(6) .
B1 B2 1.674(13) .
B1 B5 1.695(12) .
B1 B9 1.731(11) .
B1 C3 1.793(11) .
C2 C3 1.637(6) .
C2 B3 1.666(8) .
C2 B2 1.673(8) .
C2 B4 1.689(5) .
B2 B3 1.598(13) .
B2 B6 1.688(10) .
B2 B5 1.762(15) .
O3 C5 1.235(4) .
C3 C4 1.505(10) .
C3 B4 1.693(9) .
C3 B8 1.699(9) .
C3 B9 1.761(12) .
B3 B4 1.720(11) .
B3 B6 1.740(12) .
B3 B7 1.757(9) .
O4 C5 1.234(4) 2_655
B4 B7 1.725(10) .
B4 B8 1.733(9) .
O5 C12 1.438(4) .
O5 C9 1.438(5) .
C5 O4 1.234(4) 2_655
C5 C6 1.536(4) .
B5 B6 1.607(14) .
B5 B9 1.646(15) .
B5 B10 1.724(11) .
O6 C13 1.405(5) .
O6 C16 1.427(5) .
C6 C7 1.653(6) .
C6 B13 1.656(6) .
C6 B14 1.669(7) .
C6 B12 1.685(7) .
C6 B11 1.712(6) .
B6 B10 1.713(12) .
B6 B7 1.740(12) .
B7 B10 1.684(9) .
B7 B8 1.710(12) .
C7 C8 1.506(7) .
C7 B11 1.632(8) .
C7 B14 1.652(10) .
C7 B18 1.657(8) .
C7 B19 1.662(7) .
B8 B10 1.764(12) .
B8 B9 1.857(14) .
C9 C10 1.420(7) .
B9 B10 1.747(11) .
O10 Co1 2.0832(17) 2_655
C10 C11 1.373(8) .
B11 B12 1.646(10) .
B11 B15 1.716(8) .
B11 B19 1.735(9) .
C11 C12 1.471(6) .
B12 B15 1.748(9) .
B12 B16 1.753(11) .
B12 B13 1.839(12) .
C13 C14 1.474(7) .
B13 B17 1.731(12) .
B13 B14 1.778(12) .
B13 B16 1.803(11) .
B14 B18 1.752(10) .
B14 B17 1.771(11) .
C14 C15 1.365(8) .
B15 B19 1.659(11) .
B15 B16 1.703(13) .
B15 B20 1.752(11) .
C15 C16 1.449(8) .
B16 B20 1.683(11) .
B16 B17 1.823(14) .
B17 B20 1.712(11) .
B17 B18 1.776(14) .
B18 B19 1.639(11) .
B18 B20 1.729(10) .
B19 B20 1.764(11) .
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_4
Co1 O1 C1 O2 -4.1(7) . .
Co1 O1 C1 C2 174.8(2) . .
O2 C1 C2 C3 -63.5(6) . .
O1 C1 C2 C3 117.4(5) . .
O2 C1 C2 B1 -140.7(6) . .
O1 C1 C2 B1 40.2(7) . .
O2 C1 C2 B3 80.1(6) . .
O1 C1 C2 B3 -98.9(5) . .
O2 C1 C2 B2 148.2(6) . .
O1 C1 C2 B2 -30.8(7) . .
O2 C1 C2 B4 7.5(6) . .
O1 C1 C2 B4 -171.6(4) . .
B2 B1 C2 C1 -111.0(4) . .
B5 B1 C2 C1 -153.7(6) . .
B9 B1 C2 C1 145.8(6) . .
C3 B1 C2 C1 111.1(4) . .
B2 B1 C2 C3 137.9(4) . .
B5 B1 C2 C3 95.2(7) . .
B9 B1 C2 C3 34.8(6) . .
B2 B1 C2 B3 33.2(5) . .
B5 B1 C2 B3 -9.5(9) . .
B9 B1 C2 B3 -70.0(8) . .
C3 B1 C2 B3 -104.7(4) . .
B5 B1 C2 B2 -42.7(7) . .
B9 B1 C2 B2 -103.1(7) . .
C3 B1 C2 B2 -137.9(4) . .
B2 B1 C2 B4 99.6(5) . .
B5 B1 C2 B4 57.0(9) . .
B9 B1 C2 B4 -3.5(9) . .
C3 B1 C2 B4 -38.2(5) . .
C1 C2 B2 B3 -110.2(4) . .
C3 C2 B2 B3 99.9(5) . .
B1 C2 B2 B3 141.7(5) . .
B4 C2 B2 B3 33.7(5) . .
C1 C2 B2 B1 108.1(5) . .
C3 C2 B2 B1 -41.9(5) . .
B3 C2 B2 B1 -141.7(5) . .
B4 C2 B2 B1 -108.1(5) . .
C1 C2 B2 B6 -154.4(6) . .
C3 C2 B2 B6 55.6(9) . .
B1 C2 B2 B6 97.5(8) . .
B3 C2 B2 B6 -44.2(7) . .
B4 C2 B2 B6 -10.6(9) . .
C1 C2 B2 B5 147.7(5) . .
C3 C2 B2 B5 -2.2(7) . .
B1 C2 B2 B5 39.7(6) . .
B3 C2 B2 B5 -102.1(6) . .
B4 C2 B2 B5 -68.4(7) . .
C2 B1 B2 B3 -35.2(4) . .
B5 B1 B2 B3 98.6(6) . .
B9 B1 B2 B3 63.4(8) . .
C3 B1 B2 B3 0.3(6) . .
B5 B1 B2 C2 133.8(5) . .
B9 B1 B2 C2 98.6(6) . .
C3 B1 B2 C2 35.5(3) . .
C2 B1 B2 B6 -102.6(6) . .
B5 B1 B2 B6 31.2(6) . .
B9 B1 B2 B6 -4.0(9) . .
C3 B1 B2 B6 -67.1(7) . .
C2 B1 B2 B5 -133.8(5) . .
B9 B1 B2 B5 -35.2(6) . .
C3 B1 B2 B5 -98.2(5) . .
C1 C2 C3 C4 0.4(10) . .
B1 C2 C3 C4 111.6(10) . .
B3 C2 C3 C4 -147.1(9) . .
B2 C2 C3 C4 151.0(10) . .
B4 C2 C3 C4 -108.3(10) . .
C1 C2 C3 B4 108.7(4) . .
B1 C2 C3 B4 -140.1(5) . .
B3 C2 C3 B4 -38.8(5) . .
B2 C2 C3 B4 -100.7(5) . .
C1 C2 C3 B8 146.4(5) . .
B1 C2 C3 B8 -102.4(6) . .
B3 C2 C3 B8 -1.1(7) . .
B2 C2 C3 B8 -63.0(7) . .
B4 C2 C3 B8 37.7(5) . .
C1 C2 C3 B9 -145.0(4) . .
B1 C2 C3 B9 -33.9(5) . .
B3 C2 C3 B9 67.5(6) . .
B2 C2 C3 B9 5.6(6) . .
B4 C2 C3 B9 106.3(5) . .
C1 C2 C3 B1 -111.1(4) . .
B3 C2 C3 B1 101.4(5) . .
B2 C2 C3 B1 39.4(5) . .
B4 C2 C3 B1 140.1(5) . .
C2 B1 C3 C4 -104.6(7) . .
B2 B1 C3 C4 -141.9(7) . .
B5 B1 C3 C4 152.6(9) . .
B9 B1 C3 C4 114.6(8) . .
B2 B1 C3 C2 -37.3(4) . .
B5 B1 C3 C2 -102.8(8) . .
B9 B1 C3 C2 -140.9(5) . .
C2 B1 C3 B4 36.0(3) . .
B2 B1 C3 B4 -1.3(5) . .
B5 B1 C3 B4 -66.8(7) . .
B9 B1 C3 B4 -104.9(5) . .
C2 B1 C3 B8 101.4(5) . .
B2 B1 C3 B8 64.1(6) . .
B5 B1 C3 B8 -1.4(9) . .
B9 B1 C3 B8 -39.4(6) . .
C2 B1 C3 B9 140.9(5) . .
B2 B1 C3 B9 103.5(6) . .
B5 B1 C3 B9 38.1(6) . .
B1 B2 B3 C2 34.3(4) . .
B6 B2 B3 C2 132.6(6) . .
B5 B2 B3 C2 96.9(7) . .
C2 B2 B3 B4 -33.5(4) . .
B1 B2 B3 B4 0.8(7) . .
B6 B2 B3 B4 99.1(6) . .
B5 B2 B3 B4 63.4(8) . .
C2 B2 B3 B6 -132.6(6) . .
B1 B2 B3 B6 -98.3(7) . .
B5 B2 B3 B6 -35.7(7) . .
C2 B2 B3 B7 -97.6(6) . .
B1 B2 B3 B7 -63.3(7) . .
B6 B2 B3 B7 35.0(7) . .
B5 B2 B3 B7 -0.7(9) . .
C1 C2 B3 B2 108.5(5) . .
C3 C2 B3 B2 -105.1(5) . .
B1 C2 B3 B2 -34.5(5) . .
B4 C2 B3 B2 -143.7(5) . .
C1 C2 B3 B4 -107.9(4) . .
C3 C2 B3 B4 38.6(4) . .
B1 C2 B3 B4 109.2(5) . .
B2 C2 B3 B4 143.7(5) . .
C1 C2 B3 B6 150.4(4) . .
C3 C2 B3 B6 -63.2(7) . .
B1 C2 B3 B6 7.4(7) . .
B2 C2 B3 B6 42.0(6) . .
B4 C2 B3 B6 -101.7(5) . .
C1 C2 B3 B7 -147.2(4) . .
C3 C2 B3 B7 -0.8(7) . .
B1 C2 B3 B7 69.8(7) . .
B2 C2 B3 B7 104.4(6) . .
B4 C2 B3 B7 -39.3(5) . .
C1 C2 B4 C3 -109.1(4) . .
B1 C2 B4 C3 40.3(6) . .
B3 C2 B4 C3 138.1(5) . .
B2 C2 B4 C3 106.2(6) . .
C1 C2 B4 B3 112.8(5) . .
C3 C2 B4 B3 -138.1(5) . .
B1 C2 B4 B3 -97.8(6) . .
B2 C2 B4 B3 -31.9(6) . .
C1 C2 B4 B7 153.0(4) . .
C3 C2 B4 B7 -97.8(5) . .
B1 C2 B4 B7 -57.5(7) . .
B3 C2 B4 B7 40.3(5) . .
B2 C2 B4 B7 8.3(7) . .
C1 C2 B4 B8 -145.0(5) . .
C3 C2 B4 B8 -35.8(5) . .
B1 C2 B4 B8 4.4(8) . .
B3 C2 B4 B8 102.3(6) . .
B2 C2 B4 B8 70.3(7) . .
C4 C3 B4 C2 107.9(5) . .
B8 C3 B4 C2 -139.3(5) . .
B9 C3 B4 C2 -96.4(6) . .
B1 C3 B4 C2 -34.4(3) . .
C4 C3 B4 B3 144.0(5) . .
C2 C3 B4 B3 36.1(3) . .
B8 C3 B4 B3 -103.2(5) . .
B9 C3 B4 B3 -60.3(6) . .
B1 C3 B4 B3 1.8(5) . .
C4 C3 B4 B7 -152.2(6) . .
C2 C3 B4 B7 99.9(5) . .
B8 C3 B4 B7 -39.4(5) . .
B9 C3 B4 B7 3.4(8) . .
B1 C3 B4 B7 65.5(5) . .
C4 C3 B4 B8 -112.8(7) . .
C2 C3 B4 B8 139.3(5) . .
B9 C3 B4 B8 42.9(6) . .
B1 C3 B4 B8 104.9(5) . .
B2 B3 B4 C2 34.2(4) . .
B6 B3 B4 C2 99.0(6) . .
B7 B3 B4 C2 134.9(5) . .
B2 B3 B4 C3 -1.6(6) . .
C2 B3 B4 C3 -35.8(3) . .
B6 B3 B4 C3 63.2(6) . .
B7 B3 B4 C3 99.1(4) . .
B2 B3 B4 B7 -100.7(6) . .
C2 B3 B4 B7 -134.9(5) . .
B6 B3 B4 B7 -35.9(5) . .
B2 B3 B4 B8 -64.0(6) . .
C2 B3 B4 B8 -98.2(5) . .
B6 B3 B4 B8 0.9(7) . .
B7 B3 B4 B8 36.8(5) . .
Co1 O3 C5 O4 -9.5(6) . 2_655
Co1 O3 C5 C6 169.5(2) . .
C2 B1 B5 B6 7.9(11) . .
B2 B1 B5 B6 -33.5(8) . .
B9 B1 B5 B6 106.3(8) . .
C3 B1 B5 B6 67.0(10) . .
C2 B1 B5 B9 -98.3(7) . .
B2 B1 B5 B9 -139.8(7) . .
C3 B1 B5 B9 -39.3(7) . .
C2 B1 B5 B10 -58.1(12) . .
B2 B1 B5 B10 -99.6(9) . .
B9 B1 B5 B10 40.2(7) . .
C3 B1 B5 B10 0.9(11) . .
C2 B1 B5 B2 41.5(6) . .
B9 B1 B5 B2 139.8(7) . .
C3 B1 B5 B2 100.5(5) . .
B3 B2 B5 B6 39.5(7) . .
C2 B2 B5 B6 103.2(7) . .
B1 B2 B5 B6 142.8(7) . .
B3 B2 B5 B9 -66.0(9) . .
C2 B2 B5 B9 -2.4(9) . .
B1 B2 B5 B9 37.2(7) . .
B6 B2 B5 B9 -105.5(8) . .
B3 B2 B5 B1 -103.3(6) . .
C2 B2 B5 B1 -39.6(5) . .
B6 B2 B5 B1 -142.8(7) . .
B3 B2 B5 B10 0.4(11) . .
C2 B2 B5 B10 64.1(10) . .
B1 B2 B5 B10 103.7(9) . .
B6 B2 B5 B10 -39.1(7) . .
O4 C5 C6 C7 -129.4(4) 2_655 .
O3 C5 C6 C7 51.4(5) . .
O4 C5 C6 B13 16.5(7) 2_655 .
O3 C5 C6 B13 -162.6(6) . .
O4 C5 C6 B14 -59.9(6) 2_655 .
O3 C5 C6 B14 120.9(5) . .
O4 C5 C6 B12 96.5(5) 2_655 .
O3 C5 C6 B12 -82.7(5) . .
O4 C5 C6 B11 163.6(4) 2_655 .
O3 C5 C6 B11 -15.6(5) . .
B9 B5 B6 B2 99.7(6) . .
B1 B5 B6 B2 32.7(7) . .
B10 B5 B6 B2 137.4(6) . .
B9 B5 B6 B10 -37.7(6) . .
B1 B5 B6 B10 -104.7(9) . .
B2 B5 B6 B10 -137.4(6) . .
B9 B5 B6 B7 -0.3(7) . .
B1 B5 B6 B7 -67.3(9) . .
B10 B5 B6 B7 37.4(5) . .
B2 B5 B6 B7 -100.0(6) . .
B9 B5 B6 B3 63.8(8) . .
B1 B5 B6 B3 -3.2(11) . .
B10 B5 B6 B3 101.5(6) . .
B2 B5 B6 B3 -35.9(6) . .
B3 B2 B6 B5 -137.4(8) . .
C2 B2 B6 B5 -94.5(9) . .
B1 B2 B6 B5 -32.6(8) . .
B3 B2 B6 B10 -96.7(8) . .
C2 B2 B6 B10 -53.8(10) . .
B1 B2 B6 B10 8.1(10) . .
B5 B2 B6 B10 40.7(7) . .
B3 B2 B6 B7 -34.6(7) . .
C2 B2 B6 B7 8.3(11) . .
B1 B2 B6 B7 70.2(9) . .
B5 B2 B6 B7 102.8(8) . .
C2 B2 B6 B3 42.9(6) . .
B1 B2 B6 B3 104.8(6) . .
B5 B2 B6 B3 137.4(8) . .
B2 B3 B6 B5 40.0(8) . .
C2 B3 B6 B5 -2.6(9) . .
B4 B3 B6 B5 -65.6(8) . .
B7 B3 B6 B5 -101.4(8) . .
C2 B3 B6 B2 -42.5(6) . .
B4 B3 B6 B2 -105.5(6) . .
B7 B3 B6 B2 -141.3(7) . .
B2 B3 B6 B10 106.0(9) . .
C2 B3 B6 B10 63.5(7) . .
B4 B3 B6 B10 0.5(8) . .
B7 B3 B6 B10 -35.3(5) . .
B2 B3 B6 B7 141.3(7) . .
C2 B3 B6 B7 98.8(6) . .
B4 B3 B6 B7 35.8(6) . .
C2 B4 B7 B10 60.9(7) . .
C3 B4 B7 B10 0.6(7) . .
B3 B4 B7 B10 99.8(7) . .
B8 B4 B7 B10 -38.9(6) . .
C2 B4 B7 B8 99.8(5) . .
C3 B4 B7 B8 39.5(5) . .
B3 B4 B7 B8 138.7(6) . .
C2 B4 B7 B6 -3.1(8) . .
C3 B4 B7 B6 -63.4(7) . .
B3 B4 B7 B6 35.9(7) . .
B8 B4 B7 B6 -102.9(7) . .
C2 B4 B7 B3 -38.9(5) . .
C3 B4 B7 B3 -99.2(5) . .
B8 B4 B7 B3 -138.7(6) . .
B5 B6 B7 B10 -39.2(5) . .
B2 B6 B7 B10 -107.3(9) . .
B3 B6 B7 B10 -139.8(6) . .
B5 B6 B7 B8 0.5(7) . .
B2 B6 B7 B8 -67.5(9) . .
B10 B6 B7 B8 39.7(5) . .
B3 B6 B7 B8 -100.0(6) . .
B5 B6 B7 B4 64.9(7) . .
B2 B6 B7 B4 -3.1(10) . .
B10 B6 B7 B4 104.1(6) . .
B3 B6 B7 B4 -35.6(6) . .
B5 B6 B7 B3 100.6(6) . .
B2 B6 B7 B3 32.5(7) . .
B10 B6 B7 B3 139.8(6) . .
B2 B3 B7 B10 0.8(9) . .
C2 B3 B7 B10 -64.1(8) . .
B4 B3 B7 B10 -103.6(7) . .
B6 B3 B7 B10 36.2(7) . .
B2 B3 B7 B8 67.3(8) . .
C2 B3 B7 B8 2.3(8) . .
B4 B3 B7 B8 -37.2(6) . .
B6 B3 B7 B8 102.6(7) . .
B2 B3 B7 B4 104.5(6) . .
C2 B3 B7 B4 39.5(4) . .
B6 B3 B7 B4 139.8(7) . .
B2 B3 B7 B6 -35.3(7) . .
C2 B3 B7 B6 -100.3(7) . .
B4 B3 B7 B6 -139.8(7) . .
C5 C6 C7 C8 4.3(8) . .
B13 C6 C7 C8 -145.2(7) . .
B14 C6 C7 C8 -103.6(7) . .
B12 C6 C7 C8 144.1(7) . .
B11 C6 C7 C8 110.0(7) . .
C5 C6 C7 B11 -105.7(4) . .
B13 C6 C7 B11 104.8(5) . .
B14 C6 C7 B11 146.4(4) . .
B12 C6 C7 B11 34.1(4) . .
C5 C6 C7 B14 107.8(4) . .
B13 C6 C7 B14 -41.7(5) . .
B12 C6 C7 B14 -112.4(5) . .
B11 C6 C7 B14 -146.4(4) . .
C5 C6 C7 B18 148.8(4) . .
B13 C6 C7 B18 -0.8(6) . .
B14 C6 C7 B18 40.9(5) . .
B12 C6 C7 B18 -71.4(5) . .
B11 C6 C7 B18 -105.5(5) . .
C5 C6 C7 B19 -147.1(4) . .
B13 C6 C7 B19 63.4(7) . .
B14 C6 C7 B19 105.0(5) . .
B12 C6 C7 B19 -7.3(6) . .
B11 C6 C7 B19 -41.4(5) . .
C4 C3 B8 B7 146.9(9) . .
C2 C3 B8 B7 2.4(8) . .
B4 C3 B8 B7 39.9(5) . .
B9 C3 B8 B7 -95.7(7) . .
B1 C3 B8 B7 -59.1(7) . .
C4 C3 B8 B4 107.0(10) . .
C2 C3 B8 B4 -37.5(5) . .
B9 C3 B8 B4 -135.6(6) . .
B1 C3 B8 B4 -99.0(5) . .
C4 C3 B8 B10 -152.7(9) . .
C2 C3 B8 B10 62.8(7) . .
B4 C3 B8 B10 100.3(6) . .
B9 C3 B8 B10 -35.3(6) . .
B1 C3 B8 B10 1.3(7) . .
C4 C3 B8 B9 -117.4(10) . .
C2 C3 B8 B9 98.1(7) . .
B4 C3 B8 B9 135.6(6) . .
B1 C3 B8 B9 36.6(6) . .
B10 B7 B8 C3 99.2(6) . .
B4 B7 B8 C3 -39.4(5) . .
B6 B7 B8 C3 60.6(7) . .
B3 B7 B8 C3 -2.8(8) . .
B10 B7 B8 B4 138.6(4) . .
B6 B7 B8 B4 100.0(5) . .
B3 B7 B8 B4 36.6(5) . .
B4 B7 B8 B10 -138.6(4) . .
B6 B7 B8 B10 -38.5(4) . .
B3 B7 B8 B10 -102.0(6) . .
B10 B7 B8 B9 38.0(4) . .
B4 B7 B8 B9 -100.5(4) . .
B6 B7 B8 B9 -0.5(6) . .
B3 B7 B8 B9 -64.0(6) . .
C2 B4 B8 C3 35.2(5) . .
B3 B4 B8 C3 96.8(5) . .
B7 B4 B8 C3 134.4(6) . .
C2 B4 B8 B7 -99.3(5) . .
C3 B4 B8 B7 -134.4(6) . .
B3 B4 B8 B7 -37.7(5) . .
C2 B4 B8 B10 -63.5(6) . .
C3 B4 B8 B10 -98.6(6) . .
B3 B4 B8 B10 -1.8(7) . .
B7 B4 B8 B10 35.8(4) . .
C2 B4 B8 B9 -3.3(8) . .
C3 B4 B8 B9 -38.5(6) . .
B3 B4 B8 B9 58.3(7) . .
B7 B4 B8 B9 96.0(7) . .
C12 O5 C9 C10 19.2(7) . .
Co1 O5 C9 C10 -167.2(5) . .
B6 B5 B9 B1 -99.8(6) . .
B10 B5 B9 B1 -137.3(5) . .
B2 B5 B9 B1 -35.4(6) . .
B6 B5 B9 B10 37.4(5) . .
B1 B5 B9 B10 137.3(5) . .
B2 B5 B9 B10 101.9(7) . .
B6 B5 B9 C3 -58.8(7) . .
B1 B5 B9 C3 41.0(5) . .
B10 B5 B9 C3 -96.3(6) . .
B2 B5 B9 C3 5.6(9) . .
B6 B5 B9 B8 0.0(7) . .
B1 B5 B9 B8 99.8(5) . .
B10 B5 B9 B8 -37.4(5) . .
B2 B5 B9 B8 64.5(8) . .
C2 B1 B9 B5 101.5(8) . .
B2 B1 B9 B5 37.6(8) . .
C3 B1 B9 B5 134.8(6) . .
C2 B1 B9 B10 62.8(9) . .
B2 B1 B9 B10 -1.2(9) . .
B5 B1 B9 B10 -38.7(6) . .
C3 B1 B9 B10 96.1(7) . .
C2 B1 B9 C3 -33.4(5) . .
B2 B1 B9 C3 -97.3(6) . .
B5 B1 B9 C3 -134.8(6) . .
C2 B1 B9 B8 1.1(10) . .
B2 B1 B9 B8 -62.8(9) . .
B5 B1 B9 B8 -100.4(7) . .
C3 B1 B9 B8 34.5(6) . .
C4 C3 B9 B5 -148.9(9) . .
C2 C3 B9 B5 -6.8(7) . .
B4 C3 B9 B5 57.6(8) . .
B8 C3 B9 B5 98.9(7) . .
B1 C3 B9 B5 -40.2(7) . .
C4 C3 B9 B1 -108.6(9) . .
C2 C3 B9 B1 33.4(5) . .
B4 C3 B9 B1 97.8(6) . .
B8 C3 B9 B1 139.1(6) . .
C4 C3 B9 B10 147.6(9) . .
C2 C3 B9 B10 -70.3(7) . .
B4 C3 B9 B10 -5.9(9) . .
B8 C3 B9 B10 35.4(6) . .
B1 C3 B9 B10 -103.7(8) . .
C4 C3 B9 B8 112.2(9) . .
C2 C3 B9 B8 -105.7(5) . .
B4 C3 B9 B8 -41.3(6) . .
B1 C3 B9 B8 -139.1(6) . .
C3 B8 B9 B5 -100.2(5) . .
B7 B8 B9 B5 0.3(6) . .
B4 B8 B9 B5 -61.8(7) . .
B10 B8 B9 B5 38.5(6) . .
C3 B8 B9 B1 -37.0(6) . .
B7 B8 B9 B1 63.5(8) . .
B4 B8 B9 B1 1.4(10) . .
B10 B8 B9 B1 101.7(8) . .
C3 B8 B9 B10 -138.8(6) . .
B7 B8 B9 B10 -38.2(4) . .
B4 B8 B9 B10 -100.3(6) . .
B7 B8 B9 C3 100.5(5) . .
B4 B8 B9 C3 38.4(5) . .
B10 B8 B9 C3 138.8(6) . .
O5 C9 C10 C11 -23.1(9) . .
B8 B7 B10 B6 -137.3(5) . .
B4 B7 B10 B6 -99.3(6) . .
B3 B7 B10 B6 -36.0(6) . .
B8 B7 B10 B5 -101.8(7) . .
B4 B7 B10 B5 -63.8(9) . .
B6 B7 B10 B5 35.5(6) . .
B3 B7 B10 B5 -0.5(9) . .
B8 B7 B10 B9 -42.4(7) . .
B4 B7 B10 B9 -4.4(9) . .
B6 B7 B10 B9 94.9(7) . .
B3 B7 B10 B9 58.9(9) . .
B4 B7 B10 B8 38.1(5) . .
B6 B7 B10 B8 137.3(5) . .
B3 B7 B10 B8 101.3(6) . .
B5 B6 B10 B7 137.4(6) . .
B2 B6 B10 B7 95.8(7) . .
B3 B6 B10 B7 36.3(6) . .
B2 B6 B10 B5 -41.7(7) . .
B7 B6 B10 B5 -137.4(6) . .
B3 B6 B10 B5 -101.1(7) . .
B5 B6 B10 B9 33.1(6) . .
B2 B6 B10 B9 -8.6(9) . .
B7 B6 B10 B9 -104.3(6) . .
B3 B6 B10 B9 -68.0(8) . .
B5 B6 B10 B8 99.5(6) . .
B2 B6 B10 B8 57.8(9) . .
B7 B6 B10 B8 -37.9(5) . .
B3 B6 B10 B8 -1.6(8) . .
B6 B5 B10 B7 -38.2(7) . .
B9 B5 B10 B7 102.3(7) . .
B1 B5 B10 B7 62.1(11) . .
B2 B5 B10 B7 0.1(11) . .
B9 B5 B10 B6 140.4(6) . .
B1 B5 B10 B6 100.3(9) . .
B2 B5 B10 B6 38.3(7) . .
B6 B5 B10 B9 -140.4(6) . .
B1 B5 B10 B9 -40.2(7) . .
B2 B5 B10 B9 -102.1(7) . .
B6 B5 B10 B8 -100.4(7) . .
B9 B5 B10 B8 40.0(7) . .
B1 B5 B10 B8 -0.2(12) . .
B2 B5 B10 B8 -62.2(10) . .
B5 B9 B10 B7 -96.8(8) . .
B1 B9 B10 B7 -58.4(10) . .
C3 B9 B10 B7 6.1(9) . .
B8 B9 B10 B7 40.3(5) . .
B5 B9 B10 B6 -32.7(6) . .
B1 B9 B10 B6 5.7(9) . .
C3 B9 B10 B6 70.1(8) . .
B8 B9 B10 B6 104.4(6) . .
B1 B9 B10 B5 38.4(6) . .
C3 B9 B10 B5 102.8(6) . .
B8 B9 B10 B5 137.1(6) . .
B5 B9 B10 B8 -137.1(6) . .
B1 B9 B10 B8 -98.7(7) . .
C3 B9 B10 B8 -34.2(6) . .
C3 B8 B10 B7 -98.6(5) . .
B4 B8 B10 B7 -36.8(4) . .
B9 B8 B10 B7 -134.6(5) . .
C3 B8 B10 B6 -59.6(7) . .
B7 B8 B10 B6 38.9(6) . .
B4 B8 B10 B6 2.1(7) . .
B9 B8 B10 B6 -95.7(6) . .
C3 B8 B10 B5 -0.7(9) . .
B7 B8 B10 B5 97.9(7) . .
B4 B8 B10 B5 61.1(8) . .
B9 B8 B10 B5 -36.7(6) . .
C3 B8 B10 B9 36.0(5) . .
B7 B8 B10 B9 134.6(5) . .
B4 B8 B10 B9 97.8(5) . .
C8 C7 B11 B12 -142.9(5) . .
B14 C7 B11 B12 -3.5(5) . .
C6 C7 B11 B12 -35.6(3) . .
B18 C7 B11 B12 67.2(6) . .
B19 C7 B11 B12 101.2(5) . .
C8 C7 B11 C6 -107.3(5) . .
B14 C7 B11 C6 32.1(3) . .
B18 C7 B11 C6 102.8(5) . .
B19 C7 B11 C6 136.8(5) . .
C8 C7 B11 B15 151.4(5) . .
B14 C7 B11 B15 -69.2(5) . .
C6 C7 B11 B15 -101.4(5) . .
B18 C7 B11 B15 1.5(7) . .
B19 C7 B11 B15 35.5(5) . .
C8 C7 B11 B19 115.9(6) . .
B14 C7 B11 B19 -104.7(5) . .
C6 C7 B11 B19 -136.8(5) . .
B18 C7 B11 B19 -34.0(6) . .
C5 C6 B11 C7 109.5(4) . .
B13 C6 B11 C7 -100.5(5) . .
B14 C6 B11 C7 -30.5(5) . .
B12 C6 B11 C7 -140.5(4) . .
C5 C6 B11 B12 -109.9(4) . .
C7 C6 B11 B12 140.5(4) . .
B13 C6 B11 B12 40.0(5) . .
B14 C6 B11 B12 110.0(5) . .
C5 C6 B11 B15 -152.6(4) . .
C7 C6 B11 B15 97.8(5) . .
B13 C6 B11 B15 -2.7(7) . .
B14 C6 B11 B15 67.3(6) . .
B12 C6 B11 B15 -42.7(5) . .
C5 C6 B11 B19 147.2(4) . .
C7 C6 B11 B19 37.6(4) . .
B13 C6 B11 B19 -62.9(6) . .
B14 C6 B11 B19 7.1(6) . .
B12 C6 B11 B19 -102.9(5) . .
C9 C10 C11 C12 18.1(10) . .
C9 O5 C12 C11 -8.1(6) . .
Co1 O5 C12 C11 178.7(4) . .
C10 C11 C12 O5 -6.2(9) . .
C7 B11 B12 C6 35.2(3) . .
B15 B11 B12 C6 133.2(5) . .
B19 B11 B12 C6 98.0(5) . .
C7 B11 B12 B15 -98.0(5) . .
C6 B11 B12 B15 -133.2(5) . .
B19 B11 B12 B15 -35.2(5) . .
C7 B11 B12 B16 -62.1(6) . .
C6 B11 B12 B16 -97.3(6) . .
B15 B11 B12 B16 35.9(6) . .
B19 B11 B12 B16 0.7(7) . .
C7 B11 B12 B13 1.3(5) . .
C6 B11 B12 B13 -33.9(3) . .
B15 B11 B12 B13 99.2(5) . .
B19 B11 B12 B13 64.0(5) . .
C5 C6 B12 B11 105.6(4) . .
C7 C6 B12 B11 -34.1(4) . .
B13 C6 B12 B11 -139.8(4) . .
B14 C6 B12 B11 -97.7(5) . .
C5 C6 B12 B15 147.3(5) . .
C7 C6 B12 B15 7.6(7) . .
B13 C6 B12 B15 -98.1(6) . .
B14 C6 B12 B15 -56.0(8) . .
B11 C6 B12 B15 41.7(5) . .
C5 C6 B12 B16 -152.1(4) . .
C7 C6 B12 B16 68.2(6) . .
B13 C6 B12 B16 -37.5(5) . .
B14 C6 B12 B16 4.7(7) . .
B11 C6 B12 B16 102.3(5) . .
C5 C6 B12 B13 -114.6(4) . .
C7 C6 B12 B13 105.7(4) . .
B14 C6 B12 B13 42.2(5) . .
B11 C6 B12 B13 139.8(4) . .
C16 O6 C13 C14 5.2(7) . .
Co1 O6 C13 C14 -170.4(5) . .
C5 C6 B13 B17 -147.4(5) . .
C7 C6 B13 B17 1.4(8) . .
B14 C6 B13 B17 -38.0(6) . .
B12 C6 B13 B17 100.5(6) . .
B11 C6 B13 B17 64.1(8) . .
C5 C6 B13 B14 -109.4(4) . .
C7 C6 B13 B14 39.4(4) . .
B12 C6 B13 B14 138.6(4) . .
B11 C6 B13 B14 102.2(5) . .
C5 C6 B13 B16 148.2(5) . .
C7 C6 B13 B16 -63.0(7) . .
B14 C6 B13 B16 -102.4(6) . .
B12 C6 B13 B16 36.1(6) . .
B11 C6 B13 B16 -0.3(8) . .
C5 C6 B13 B12 112.1(4) . .
C7 C6 B13 B12 -99.1(4) . .
B14 C6 B13 B12 -138.6(4) . .
B11 C6 B13 B12 -36.4(4) . .
B11 B12 B13 C6 36.5(3) . .
B15 B12 B13 C6 100.0(5) . .
B16 B12 B13 C6 137.2(5) . .
B11 B12 B13 B17 -62.2(7) . .
C6 B12 B13 B17 -98.7(7) . .
B15 B12 B13 B17 1.3(8) . .
B16 B12 B13 B17 38.5(6) . .
B11 B12 B13 B14 1.0(5) . .
C6 B12 B13 B14 -35.4(3) . .
B15 B12 B13 B14 64.6(5) . .
B16 B12 B13 B14 101.7(5) . .
B11 B12 B13 B16 -100.7(5) . .
C6 B12 B13 B16 -137.2(5) . .
B15 B12 B13 B16 -37.1(5) . .
C8 C7 B14 C6 108.5(5) . .
B11 C7 B14 C6 -32.9(4) . .
B18 C7 B14 C6 -137.1(5) . .
B19 C7 B14 C6 -103.3(4) . .
C8 C7 B14 B18 -114.4(5) . .
B11 C7 B14 B18 104.2(5) . .
C6 C7 B14 B18 137.1(5) . .
B19 C7 B14 B18 33.8(5) . .
C8 C7 B14 B17 -154.0(7) . .
B11 C7 B14 B17 64.7(7) . .
C6 C7 B14 B17 97.6(7) . .
B18 C7 B14 B17 -39.5(6) . .
B19 C7 B14 B17 -5.7(8) . .
C8 C7 B14 B13 145.4(5) . .
B11 C7 B14 B13 4.0(5) . .
C6 C7 B14 B13 36.9(3) . .
B18 C7 B14 B13 -100.2(5) . .
B19 C7 B14 B13 -66.4(5) . .
C5 C6 B14 C7 -109.6(4) . .
B13 C6 B14 C7 136.4(4) . .
B12 C6 B14 C7 93.3(5) . .
B11 C6 B14 C7 29.9(4) . .
C5 C6 B14 B18 -146.6(5) . .
C7 C6 B14 B18 -37.0(5) . .
B13 C6 B14 B18 99.4(6) . .
B12 C6 B14 B18 56.4(8) . .
B11 C6 B14 B18 -7.0(7) . .
C5 C6 B14 B17 150.6(5) . .
C7 C6 B14 B17 -99.8(5) . .
B13 C6 B14 B17 36.6(5) . .
B12 C6 B14 B17 -6.5(8) . .
B11 C6 B14 B17 -69.9(7) . .
C5 C6 B14 B13 114.0(4) . .
C7 C6 B14 B13 -136.4(4) . .
B12 C6 B14 B13 -43.1(5) . .
B11 C6 B14 B13 -106.5(5) . .
C6 B13 B14 C7 -38.0(3) . .
B17 B13 B14 C7 99.3(5) . .
B16 B13 B14 C7 57.1(6) . .
B12 B13 B14 C7 -2.9(4) . .
B17 B13 B14 C6 137.3(5) . .
B16 B13 B14 C6 95.1(6) . .
B12 B13 B14 C6 35.1(3) . .
C6 B13 B14 B18 -98.6(5) . .
B17 B13 B14 B18 38.7(5) . .
B16 B13 B14 B18 -3.5(8) . .
B12 B13 B14 B18 -63.5(5) . .
C6 B13 B14 B17 -137.3(5) . .
B16 B13 B14 B17 -42.2(5) . .
B12 B13 B14 B17 -102.2(5) . .
O6 C13 C14 C15 -13.4(10) . .
C7 B11 B15 B19 -36.2(5) . .
B12 B11 B15 B19 -139.7(6) . .
C6 B11 B15 B19 -98.1(5) . .
C7 B11 B15 B16 66.5(6) . .
B12 B11 B15 B16 -36.9(6) . .
C6 B11 B15 B16 4.6(7) . .
B19 B11 B15 B16 102.7(7) . .
C7 B11 B15 B12 103.4(5) . .
C6 B11 B15 B12 41.5(5) . .
B19 B11 B15 B12 139.7(6) . .
C7 B11 B15 B20 4.9(7) . .
B12 B11 B15 B20 -98.5(6) . .
C6 B11 B15 B20 -57.0(6) . .
B19 B11 B15 B20 41.1(5) . .
B11 B12 B15 B19 36.8(6) . .
C6 B12 B15 B19 -5.5(8) . .
B16 B12 B15 B19 -102.0(7) . .
B13 B12 B15 B19 -64.0(7) . .
B11 B12 B15 B16 138.8(6) . .
C6 B12 B15 B16 96.5(7) . .
B13 B12 B15 B16 38.1(6) . .
C6 B12 B15 B11 -42.3(5) . .
B16 B12 B15 B11 -138.8(6) . .
B13 B12 B15 B11 -100.8(5) . .
B11 B12 B15 B20 102.5(6) . .
C6 B12 B15 B20 60.2(7) . .
B16 B12 B15 B20 -36.4(6) . .
B13 B12 B15 B20 1.7(7) . .
C13 C14 C15 C16 16.2(11) . .
C13 O6 C16 C15 4.2(8) . .
Co1 O6 C16 C15 179.7(5) . .
C14 C15 C16 O6 -12.8(10) . .
B19 B15 B16 B20 -38.1(4) . .
B11 B15 B16 B20 -103.3(5) . .
B12 B15 B16 B20 -138.4(5) . .
B19 B15 B16 B12 100.3(5) . .
B11 B15 B16 B12 35.1(5) . .
B20 B15 B16 B12 138.4(5) . .
B19 B15 B16 B13 60.4(8) . .
B11 B15 B16 B13 -4.9(9) . .
B12 B15 B16 B13 -39.9(6) . .
B20 B15 B16 B13 98.4(8) . .
B19 B15 B16 B17 -0.1(6) . .
B11 B15 B16 B17 -65.3(6) . .
B12 B15 B16 B17 -100.4(5) . .
B20 B15 B16 B17 38.0(4) . .
B11 B12 B16 B20 1.9(9) . .
C6 B12 B16 B20 -62.6(8) . .
B15 B12 B16 B20 38.9(6) . .
B13 B12 B16 B20 -98.0(8) . .
B11 B12 B16 B15 -37.0(6) . .
C6 B12 B16 B15 -101.5(5) . .
B13 B12 B16 B15 -137.0(6) . .
B11 B12 B16 B13 100.0(5) . .
C6 B12 B16 B13 35.5(5) . .
B15 B12 B16 B13 137.0(6) . .
B11 B12 B16 B17 63.8(7) . .
C6 B12 B16 B17 -0.7(7) . .
B15 B12 B16 B17 100.8(6) . .
B13 B12 B16 B17 -36.2(6) . .
C6 B13 B16 B20 69.0(8) . .
B17 B13 B16 B20 -32.8(6) . .
B14 B13 B16 B20 8.7(8) . .
B12 B13 B16 B20 105.0(7) . .
C6 B13 B16 B15 3.2(9) . .
B17 B13 B16 B15 -98.6(7) . .
B14 B13 B16 B15 -57.1(8) . .
B12 B13 B16 B15 39.2(6) . .
C6 B13 B16 B12 -36.0(5) . .
B17 B13 B16 B12 -137.8(6) . .
B14 B13 B16 B12 -96.3(5) . .
C6 B13 B16 B17 101.8(7) . .
B14 B13 B16 B17 41.5(6) . .
B12 B13 B16 B17 137.8(6) . .
C6 B13 B17 B20 -64.1(9) . .
B14 B13 B17 B20 -101.0(8) . .
B16 B13 B17 B20 32.6(6) . .
B12 B13 B17 B20 -3.9(9) . .
C6 B13 B17 B14 36.9(5) . .
B16 B13 B17 B14 133.5(6) . .
B12 B13 B17 B14 97.1(5) . .
C6 B13 B17 B18 -1.4(9) . .
B14 B13 B17 B18 -38.3(6) . .
B16 B13 B17 B18 95.2(6) . .
B12 B13 B17 B18 58.8(8) . .
C6 B13 B17 B16 -96.7(7) . .
B14 B13 B17 B16 -133.5(6) . .
B12 B13 B17 B16 -36.5(6) . .
C7 B14 B17 B20 3.2(10) . .
C6 B14 B17 B20 65.2(9) . .
B18 B14 B17 B20 -35.2(6) . .
B13 B14 B17 B20 101.3(9) . .
C7 B14 B17 B13 -98.0(5) . .
C6 B14 B17 B13 -36.1(5) . .
B18 B14 B17 B13 -136.4(6) . .
C7 B14 B17 B18 38.4(6) . .
C6 B14 B17 B18 100.4(6) . .
B13 B14 B17 B18 136.4(6) . .
C7 B14 B17 B16 -56.6(8) . .
C6 B14 B17 B16 5.4(8) . .
B18 B14 B17 B16 -94.9(6) . .
B13 B14 B17 B16 41.5(7) . .
B15 B16 B17 B20 -39.8(4) . .
B12 B16 B17 B20 -103.8(6) . .
B13 B16 B17 B20 -142.3(6) . .
B20 B16 B17 B13 142.3(6) . .
B15 B16 B17 B13 102.5(5) . .
B12 B16 B17 B13 38.5(5) . .
B20 B16 B17 B14 100.9(7) . .
B15 B16 B17 B14 61.0(7) . .
B12 B16 B17 B14 -3.0(9) . .
B13 B16 B17 B14 -41.5(5) . .
B20 B16 B17 B18 39.6(4) . .
B15 B16 B17 B18 -0.3(5) . .
B12 B16 B17 B18 -64.3(6) . .
B13 B16 B17 B18 -102.8(4) . .
C8 C7 B18 B19 -113.3(7) . .
B11 C7 B18 B19 35.7(6) . .
B14 C7 B18 B19 143.5(6) . .
C6 C7 B18 B19 104.0(5) . .
C8 C7 B18 B20 -156.3(7) . .
B11 C7 B18 B20 -7.3(8) . .
B14 C7 B18 B20 100.4(7) . .
C6 C7 B18 B20 61.0(7) . .
B19 C7 B18 B20 -43.0(5) . .
C8 C7 B18 B14 103.2(7) . .
B11 C7 B18 B14 -107.8(5) . .
C6 C7 B18 B14 -39.5(5) . .
B19 C7 B18 B14 -143.5(6) . .
C8 C7 B18 B17 142.5(7) . .
B11 C7 B18 B17 -68.5(7) . .
B14 C7 B18 B17 39.3(6) . .
C6 C7 B18 B17 -0.2(7) . .
B19 C7 B18 B17 -104.2(6) . .
C7 B14 B18 B19 -33.3(6) . .
C6 B14 B18 B19 4.3(9) . .
B17 B14 B18 B19 101.9(7) . .
B13 B14 B18 B19 64.2(8) . .
C6 B14 B18 C7 37.7(4) . .
B17 B14 B18 C7 135.2(6) . .
B13 B14 B18 C7 97.5(5) . .
C7 B14 B18 B20 -100.4(6) . .
C6 B14 B18 B20 -62.8(8) . .
B17 B14 B18 B20 34.8(6) . .
B13 B14 B18 B20 -2.9(7) . .
C7 B14 B18 B17 -135.2(6) . .
C6 B14 B18 B17 -97.6(7) . .
B13 B14 B18 B17 -37.7(6) . .
B20 B17 B18 B19 38.8(5) . .
B13 B17 B18 B19 -62.6(7) . .
B14 B17 B18 B19 -101.7(5) . .
B16 B17 B18 B19 0.6(5) . .
B20 B17 B18 C7 102.4(5) . .
B13 B17 B18 C7 1.0(8) . .
B14 B17 B18 C7 -38.1(5) . .
B16 B17 B18 C7 64.1(5) . .
B13 B17 B18 B20 -101.4(8) . .
B14 B17 B18 B20 -140.5(6) . .
B16 B17 B18 B20 -38.2(4) . .
B20 B17 B18 B14 140.5(6) . .
B13 B17 B18 B14 39.1(6) . .
B16 B17 B18 B14 102.3(5) . .
C7 B18 B19 B15 -97.3(5) . .
B20 B18 B19 B15 36.1(4) . .
B14 B18 B19 B15 -65.0(7) . .
B17 B18 B19 B15 -0.7(6) . .
B20 B18 B19 C7 133.4(5) . .
B14 B18 B19 C7 32.3(5) . .
B17 B18 B19 C7 96.6(5) . .
C7 B18 B19 B11 -32.3(5) . .
B20 B18 B19 B11 101.1(6) . .
B14 B18 B19 B11 0.0(9) . .
B17 B18 B19 B11 64.3(6) . .
C7 B18 B19 B20 -133.4(5) . .
B14 B18 B19 B20 -101.1(7) . .
B17 B18 B19 B20 -36.8(4) . .
B16 B15 B19 B18 0.5(6) . .
B11 B15 B19 B18 99.7(5) . .
B12 B15 B19 B18 65.1(7) . .
B20 B15 B19 B18 -35.9(4) . .
B16 B15 B19 C7 -63.5(6) . .
B11 B15 B19 C7 35.7(5) . .
B12 B15 B19 C7 1.1(8) . .
B20 B15 B19 C7 -99.9(6) . .
B16 B15 B19 B11 -99.2(5) . .
B12 B15 B19 B11 -34.6(5) . .
B20 B15 B19 B11 -135.6(5) . .
B16 B15 B19 B20 36.4(4) . .
B11 B15 B19 B20 135.6(5) . .
B12 B15 B19 B20 101.0(6) . .
C8 C7 B19 B18 109.0(7) . .
B11 C7 B19 B18 -143.0(6) . .
B14 C7 B19 B18 -35.6(6) . .
C6 C7 B19 B18 -102.0(6) . .
C8 C7 B19 B15 -145.1(7) . .
B11 C7 B19 B15 -37.2(5) . .
B14 C7 B19 B15 70.3(7) . .
C6 C7 B19 B15 3.9(7) . .
B18 C7 B19 B15 105.9(7) . .
C8 C7 B19 B11 -108.0(7) . .
B14 C7 B19 B11 107.4(5) . .
C6 C7 B19 B11 41.1(5) . .
B18 C7 B19 B11 143.0(6) . .
C8 C7 B19 B20 150.4(7) . .
B11 C7 B19 B20 -101.6(6) . .
B14 C7 B19 B20 5.9(7) . .
C6 C7 B19 B20 -60.5(6) . .
B18 C7 B19 B20 41.5(5) . .
C7 B11 B19 B18 33.4(5) . .
B12 B11 B19 B18 -67.6(7) . .
C6 B11 B19 B18 -4.3(7) . .
B15 B11 B19 B18 -105.0(7) . .
C7 B11 B19 B15 138.4(6) . .
B12 B11 B19 B15 37.4(5) . .
C6 B11 B19 B15 100.7(5) . .
B12 B11 B19 C7 -101.0(5) . .
C6 B11 B19 C7 -37.7(4) . .
B15 B11 B19 C7 -138.4(6) . .
C7 B11 B19 B20 98.0(6) . .
B12 B11 B19 B20 -3.0(7) . .
C6 B11 B19 B20 60.4(6) . .
B15 B11 B19 B20 -40.4(5) . .
B15 B16 B20 B17 136.4(5) . .
B12 B16 B20 B17 98.1(6) . .
B13 B16 B20 B17 32.3(5) . .
B15 B16 B20 B18 93.3(6) . .
B12 B16 B20 B18 55.1(9) . .
B13 B16 B20 B18 -10.8(9) . .
B17 B16 B20 B18 -43.1(6) . .
B12 B16 B20 B15 -38.2(6) . .
B13 B16 B20 B15 -104.1(6) . .
B17 B16 B20 B15 -136.4(5) . .
B15 B16 B20 B19 34.6(5) . .
B12 B16 B20 B19 -3.6(9) . .
B13 B16 B20 B19 -69.5(8) . .
B17 B16 B20 B19 -101.8(6) . .
B13 B17 B20 B16 -34.2(6) . .
B14 B17 B20 B16 -98.7(7) . .
B18 B17 B20 B16 -133.8(5) . .
B13 B17 B20 B18 99.6(6) . .
B14 B17 B20 B18 35.1(6) . .
B16 B17 B20 B18 133.8(5) . .
B13 B17 B20 B15 5.1(10) . .
B14 B17 B20 B15 -59.4(10) . .
B18 B17 B20 B15 -94.5(6) . .
B16 B17 B20 B15 39.3(6) . .
B13 B17 B20 B19 64.7(9) . .
B14 B17 B20 B19 0.1(10) . .
B18 B17 B20 B19 -35.0(5) . .
B16 B17 B20 B19 98.9(6) . .
B19 B18 B20 B16 -94.1(7) . .
C7 B18 B20 B16 -52.3(8) . .
B14 B18 B20 B16 8.9(8) . .
B17 B18 B20 B16 44.4(6) . .
B19 B18 B20 B17 -138.5(5) . .
C7 B18 B20 B17 -96.7(6) . .
B14 B18 B20 B17 -35.5(5) . .
B19 B18 B20 B15 -32.2(5) . .
C7 B18 B20 B15 9.6(7) . .
B14 B18 B20 B15 70.8(7) . .
B17 B18 B20 B15 106.3(6) . .
C7 B18 B20 B19 41.8(5) . .
B14 B18 B20 B19 103.0(5) . .
B17 B18 B20 B19 138.5(5) . .
B19 B15 B20 B16 138.7(5) . .
B11 B15 B20 B16 97.7(5) . .
B12 B15 B20 B16 37.6(5) . .
B19 B15 B20 B17 96.9(7) . .
B16 B15 B20 B17 -41.8(6) . .
B11 B15 B20 B17 55.9(8) . .
B12 B15 B20 B17 -4.2(8) . .
B19 B15 B20 B18 32.0(5) . .
B16 B15 B20 B18 -106.7(6) . .
B11 B15 B20 B18 -8.9(7) . .
B12 B15 B20 B18 -69.1(7) . .
B16 B15 B20 B19 -138.7(5) . .
B11 B15 B20 B19 -41.0(5) . .
B12 B15 B20 B19 -101.1(5) . .
B18 B19 B20 B16 105.5(6) . .
B15 B19 B20 B16 -36.0(5) . .
C7 B19 B20 B16 64.3(7) . .
B11 B19 B20 B16 4.0(7) . .
B18 B19 B20 B17 37.7(6) . .
B15 B19 B20 B17 -103.8(7) . .
C7 B19 B20 B17 -3.4(8) . .
B11 B19 B20 B17 -63.8(8) . .
B15 B19 B20 B18 -141.5(5) . .
C7 B19 B20 B18 -41.1(5) . .
B11 B19 B20 B18 -101.5(5) . .
B18 B19 B20 B15 141.5(5) . .
C7 B19 B20 B15 100.3(5) . .
B11 B19 B20 B15 40.0(4) . .
