#------------------------------------------------------------------------------
#$Date: 2015-06-07 01:46:55 +0300 (Sun, 07 Jun 2015) $
#$Revision: 138599 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/49/7034922.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_7034922
loop_
_publ_author_name
'Fontanet, Mònica'
'Rodríguez, Montserrat'
'Fontrodona, Xavier'
'Romero, Isabel'
'Viñas, Clara'
'Teixidor, Francesc'
_publ_section_title
;
 Intramolecular hydrogen bonding stabilizes the nuclearity of complexes. A
 comparative study based on the H-carborane and Me-carborane framework.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10399
_journal_page_last               10409
_journal_paper_doi               10.1039/c5dt00305a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C32 H64 B40 Cu2 N4 O8'
_chemical_formula_sum            'C32 H64 B40 Cu2 N4 O8'
_chemical_formula_weight         1192.35
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2014-11-14 deposited with the CCDC.
2015-04-23 downloaded from the CCDC.
;
_cell_angle_alpha                99.539(3)
_cell_angle_beta                 115.311(3)
_cell_angle_gamma                112.975(3)
_cell_formula_units_Z            1
_cell_length_a                   11.764(3)
_cell_length_b                   13.327(3)
_cell_length_c                   13.366(3)
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.45
_cell_measurement_theta_min      3.40
_cell_volume                     1598.8(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device_type  'ccd area detector'
_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  0.0407
_diffrn_reflns_av_unetI/netI     0.0483
_diffrn_reflns_laue_measured_fraction_full 0.993
_diffrn_reflns_laue_measured_fraction_max 0.958
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            24054
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.958
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.447
_diffrn_reflns_theta_min         1.811
_exptl_absorpt_coefficient_mu    0.711
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.852436
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADADBS v2.10 BRUKER 2001'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.238
_exptl_crystal_description       prism
_exptl_crystal_F_000             606
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         3.611
_refine_diff_density_min         -0.992
_refine_diff_density_rms         0.204
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     382
_refine_ls_number_reflns         7719
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      2.032
_refine_ls_R_factor_all          0.1445
_refine_ls_R_factor_gt           0.1297
_refine_ls_shift/su_max          0.025
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.4524
_refine_ls_wR_factor_ref         0.4613
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6095
_reflns_number_total             7719
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt00305a2.cif
_cod_data_source_block           mfcl334blaus
_cod_depositor_comments
'Adding full bibliography for 7034918--7034924.cif.'
_cod_original_cell_volume        1598.8(6)
_cod_database_code               7034922
_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
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Cu1 Cu 0.34041(8) 0.51368(6) 0.84111(6) 0.0413(4) Uani 1 1 d . .
O1 O 0.2325(6) 0.5942(5) 0.8483(4) 0.0487(11) Uani 1 1 d . .
O2 O 0.1171(7) 0.5144(6) 0.6485(5) 0.0697(17) Uani 1 1 d . .
O3 O 0.4150(6) 0.4237(5) 0.7863(4) 0.0496(11) Uani 1 1 d . .
O4 O 0.5187(6) 0.3929(5) 0.9527(4) 0.0526(12) Uani 1 1 d . .
C1 C 0.4769(7) 0.3771(6) 0.8478(5) 0.0412(13) Uani 1 1 d . .
B1 B 0.4191(18) 0.1518(9) 0.7724(10) 0.085(4) Uani 1 1 d . .
H1 H 0.3484 0.1205 0.8073 0.102 Uiso 1 1 calc R U
C2 C 0.4998(7) 0.2914(6) 0.7779(5) 0.0412(13) Uani 1 1 d . .
B2 B 0.3564(14) 0.1779(10) 0.6399(8) 0.074(3) Uani 1 1 d . .
H2 H 0.2456 0.1644 0.5892 0.089 Uiso 1 1 calc R U
C3 C 0.6022(12) 0.2491(9) 0.8572(7) 0.074(3) Uani 1 1 d . .
H3B H 0.6534 0.2838 0.9556 0.088 Uiso 1 1 calc R U
B3 B 0.5067(16) 0.2946(10) 0.6539(10) 0.075(3) Uani 1 1 d . .
H3 H 0.4944 0.3575 0.6124 0.090 Uiso 1 1 calc R U
C4 C 0.1436(8) 0.5785(7) 0.7425(6) 0.0499(16) Uani 1 1 d . .
B4 B 0.6642(13) 0.3427(12) 0.7938(12) 0.087(4) Uani 1 1 d . .
H4 H 0.7543 0.4361 0.8423 0.105 Uiso 1 1 calc R U
C5 C 0.0708(8) 0.6517(7) 0.7369(6) 0.0512(16) Uani 1 1 d . .
B5 B 0.391(2) 0.0591(11) 0.6440(11) 0.118(7) Uani 1 1 d . .
H5 H 0.3030 -0.0350 0.5954 0.141 Uiso 1 1 calc R U
C6 C 0.1567(11) 0.7890(9) 0.8449(9) 0.071(2) Uani 1 1 d . .
H6B H 0.2662 0.8315 0.9277 0.086 Uiso 1 1 calc R U
B6 B 0.4398(16) 0.1462(11) 0.5681(9) 0.078(3) Uani 1 1 d . .
H6 H 0.3814 0.1099 0.4690 0.094 Uiso 1 1 calc R U
B7 B 0.626(2) 0.2440(19) 0.6636(15) 0.126(7) Uani 1 1 d . .
H7 H 0.6932 0.2725 0.6248 0.151 Uiso 1 1 calc R U
B8 B 0.698(2) 0.224(2) 0.8023(14) 0.141(9) Uani 1 1 d . .
H8 H 0.8092 0.2407 0.8589 0.169 Uiso 1 1 calc R U
B9 B 0.551(3) 0.1107(16) 0.7847(11) 0.141(9) Uani 1 1 d . .
H9 H 0.5677 0.0504 0.8288 0.169 Uiso 1 1 calc R U
B10 B 0.566(2) 0.1080(16) 0.6602(11) 0.122(7) Uani 1 1 d . .
H10 H 0.5924 0.0479 0.6209 0.146 Uiso 1 1 calc R U
B11 B 0.0080(14) 0.6694(10) 0.8300(12) 0.073(3) Uani 1 1 d . .
H11 H 0.0210 0.6351 0.9012 0.088 Uiso 1 1 calc R U
B12 B -0.1117(13) 0.5748(11) 0.6758(17) 0.112(7) Uani 1 1 d . .
H12 H -0.1785 0.4778 0.6444 0.135 Uiso 1 1 calc R U
B13 B -0.0300(16) 0.6467(13) 0.6071(8) 0.093(5) Uani 1 1 d . .
H13 H -0.0460 0.5924 0.5253 0.111 Uiso 1 1 calc R U
B14 B 0.1392(17) 0.7742(12) 0.7062(12) 0.083(4) Uani 1 1 d . .
H14 H 0.2340 0.8052 0.6966 0.099 Uiso 1 1 calc R U
B15 B 0.0146(13) 0.8049(10) 0.8401(11) 0.070(3) Uani 1 1 d . .
H15 H 0.0300 0.8617 0.9202 0.084 Uiso 1 1 calc R U
B16 B -0.1472(16) 0.6754(14) 0.7447(17) 0.124(5) Uani 1 1 d . .
H16 H -0.2362 0.6458 0.7615 0.149 Uiso 1 1 calc R U
B17 B -0.1766(16) 0.6539(14) 0.5974(17) 0.124(5) Uani 1 1 d . .
H17 H -0.2876 0.6071 0.5153 0.149 Uiso 1 1 calc R U
B18 B -0.020(2) 0.7786(19) 0.6152(13) 0.121(7) Uani 1 1 d . .
H18 H -0.0279 0.8135 0.5449 0.145 Uiso 1 1 calc R U
B19 B 0.0978(13) 0.8723(10) 0.7702(11) 0.070(3) Uani 1 1 d . .
H19 H 0.1664 0.9694 0.8035 0.084 Uiso 1 1 calc R U
B20 B -0.0988(15) 0.7965(12) 0.6976(12) 0.086(4) Uani 1 1 d . .
H20 H -0.1597 0.8433 0.6798 0.103 Uiso 1 1 calc R U
N1 N 0.4685(8) 0.6517(6) 0.8216(5) 0.0527(15) Uani 1 1 d . .
C7 C 0.5439(12) 0.7634(8) 0.8999(8) 0.076(3) Uani 1 1 d . .
H7A H 0.5483 0.7773 0.9723 0.091 Uiso 1 1 calc R U
C8 C 0.6160(15) 0.8596(9) 0.8804(12) 0.095(4) Uani 1 1 d . .
H8A H 0.6691 0.9363 0.9389 0.114 Uiso 1 1 calc R U
C9 C 0.6084(14) 0.8410(10) 0.7747(12) 0.087(3) Uani 1 1 d . .
H9A H 0.6537 0.9049 0.7584 0.105 Uiso 1 1 calc R U
C10 C 0.5336(14) 0.7276(11) 0.6925(10) 0.083(3) Uani 1 1 d . .
H10A H 0.5292 0.7123 0.6200 0.100 Uiso 1 1 calc R U
C11 C 0.4644(11) 0.6355(9) 0.7194(8) 0.069(2) Uani 1 1 d . .
H11A H 0.4123 0.5581 0.6626 0.083 Uiso 1 1 calc R U
N2 N 0.1909(7) 0.3631(6) 0.8306(5) 0.0534(15) Uani 1 1 d . .
C12 C 0.2014(13) 0.3391(10) 0.9240(10) 0.086(3) Uani 1 1 d . .
H12A H 0.2780 0.3983 1.0001 0.103 Uiso 1 1 calc R U
C13 C 0.1104(16) 0.2356(14) 0.9188(14) 0.113(5) Uani 1 1 d . .
H13A H 0.1256 0.2232 0.9888 0.136 Uiso 1 1 calc R U
C14 C -0.0037(15) 0.1501(11) 0.8091(15) 0.104(4) Uani 1 1 d . .
H14A H -0.0733 0.0796 0.8019 0.125 Uiso 1 1 calc R U
C15 C -0.0151(17) 0.1691(12) 0.7100(14) 0.139(7) Uani 1 1 d . .
H15A H -0.0870 0.1090 0.6334 0.167 Uiso 1 1 calc R U
C116 C 0.0828(15) 0.2803(11) 0.7247(10) 0.116(6) Uani 1 1 d . .
H16A H 0.0704 0.2957 0.6565 0.139 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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_3
O3 Cu1 O1 164.1(2) .
O3 Cu1 N1 88.2(2) .
O1 Cu1 N1 88.1(2) .
O3 Cu1 N2 89.1(2) .
O1 Cu1 N2 92.0(2) .
N1 Cu1 N2 170.5(2) .
O3 Cu1 O4 109.91(19) 2_667
O1 Cu1 O4 85.72(18) 2_667
N1 Cu1 O4 92.9(2) 2_667
N2 Cu1 O4 96.6(2) 2_667
C4 O1 Cu1 109.4(4) .
C1 O3 Cu1 122.9(4) .
C1 O4 Cu1 159.3(5) 2_667
O4 C1 O3 127.8(6) .
O4 C1 C2 118.4(5) .
O3 C1 C2 113.9(5) .
C3 B1 C2 56.0(5) .
C3 B1 B5 103.8(11) .
C2 B1 B5 105.4(8) .
C3 B1 B2 104.9(8) .
C2 B1 B2 59.7(5) .
B5 B1 B2 61.2(6) .
C3 B1 B9 56.7(9) .
C2 B1 B9 101.6(11) .
B5 B1 B9 59.3(9) .
B2 B1 B9 107.3(9) .
C3 B1 H1 125.6 .
C2 B1 H1 125.2 .
B5 B1 H1 122.5 .
B2 B1 H1 121.1 .
B9 B1 H1 124.2 .
C1 C2 C3 115.5(5) .
C1 C2 B4 118.4(6) .
C3 C2 B4 63.6(8) .
C1 C2 B1 113.5(6) .
C3 C2 B1 61.7(7) .
B4 C2 B1 115.9(8) .
C1 C2 B3 124.3(6) .
C3 C2 B3 112.4(6) .
B4 C2 B3 62.2(7) .
B1 C2 B3 113.3(6) .
C1 C2 B2 121.0(6) .
C3 C2 B2 111.2(6) .
B4 C2 B2 113.6(7) .
B1 C2 B2 61.9(6) .
B3 C2 B2 61.5(7) .
C2 B2 B6 104.8(9) .
C2 B2 B3 58.8(6) .
B6 B2 B3 60.5(7) .
C2 B2 B1 58.4(5) .
B6 B2 B1 107.9(9) .
B3 B2 B1 108.2(9) .
C2 B2 B5 103.0(8) .
B6 B2 B5 59.4(8) .
B3 B2 B5 107.1(10) .
B1 B2 B5 59.4(6) .
C2 B2 H2 125.3 .
B6 B2 H2 122.1 .
B3 B2 H2 121.3 .
B1 B2 H2 121.5 .
B5 B2 H2 123.7 .
C2 C3 B9 113.0(8) .
C2 C3 B8 112.6(9) .
B9 C3 B8 60.2(11) .
C2 C3 B1 62.3(6) .
B9 C3 B1 64.9(11) .
B8 C3 B1 115.4(10) .
C2 C3 B4 60.8(6) .
B9 C3 B4 112.0(9) .
B8 C3 B4 63.1(11) .
B1 C3 B4 114.0(7) .
C2 C3 H3B 119.6 .
B9 C3 H3B 119.0 .
B8 C3 H3B 118.5 .
B1 C3 H3B 116.2 .
B4 C3 H3B 119.1 .
C2 B3 B4 58.3(6) .
C2 B3 B2 59.8(5) .
B4 B3 B2 108.9(8) .
C2 B3 B7 103.1(8) .
B4 B3 B7 60.2(8) .
B2 B3 B7 106.2(10) .
C2 B3 B6 105.0(7) .
B4 B3 B6 108.4(8) .
B2 B3 B6 59.7(7) .
B7 B3 B6 58.7(8) .
C2 B3 H3 124.9 .
B4 B3 H3 120.8 .
B2 B3 H3 121.3 .
B7 B3 H3 124.0 .
B6 B3 H3 122.5 .
O2 C4 O1 125.9(6) .
O2 C4 C5 119.4(6) .
O1 C4 C5 114.6(6) .
C2 B4 C3 55.7(6) .
C2 B4 B3 59.5(6) .
C3 B4 B3 104.0(8) .
C2 B4 B7 103.9(10) .
C3 B4 B7 102.6(11) .
B3 B4 B7 60.1(8) .
C2 B4 B8 103.7(12) .
C3 B4 B8 57.3(9) .
B3 B4 B8 109.7(9) .
B7 B4 B8 60.9(10) .
C2 B4 H4 125.2 .
C3 B4 H4 126.5 .
B3 B4 H4 121.1 .
B7 B4 H4 123.5 .
B8 B4 H4 121.7 .
C4 C5 B13 117.3(6) .
C4 C5 B12 116.1(7) .
B13 C5 B12 63.8(10) .
C4 C5 C6 122.5(6) .
B13 C5 C6 110.0(7) .
B12 C5 C6 112.9(7) .
C4 C5 B14 115.7(7) .
B13 C5 B14 62.3(8) .
B12 C5 B14 117.1(8) .
C6 C5 B14 61.3(6) .
C4 C5 B11 121.3(7) .
B13 C5 B11 112.2(8) .
B12 C5 B11 62.1(9) .
C6 C5 B11 61.4(6) .
B14 C5 B11 113.9(7) .
B6 B5 B9 107.6(14) .
B6 B5 B1 107.8(7) .
B9 B5 B1 61.5(8) .
B6 B5 B2 59.2(6) .
B9 B5 B2 107.7(7) .
B1 B5 B2 59.4(6) .
B6 B5 B10 60.8(9) .
B9 B5 B10 58.7(11) .
B1 B5 B10 108.4(11) .
B2 B5 B10 107.3(10) .
B6 B5 H5 121.9 .
B9 B5 H5 121.8 .
B1 B5 H5 121.1 .
B2 B5 H5 122.6 .
B10 B5 H5 121.9 .
C5 C6 B15 104.6(7) .
C5 C6 B14 59.9(6) .
B15 C6 B14 108.4(8) .
C5 C6 B11 60.0(6) .
B15 C6 B11 60.4(6) .
B14 C6 B11 111.5(9) .
C5 C6 B19 106.4(7) .
B15 C6 B19 59.5(6) .
B14 C6 B19 61.1(6) .
B11 C6 B19 110.3(8) .
C5 C6 H6B 124.1 .
B15 C6 H6B 123.2 .
B14 C6 H6B 119.8 .
B11 C6 H6B 119.3 .
B19 C6 H6B 121.4 .
B7 B6 B2 107.5(7) .
B7 B6 B5 105.3(11) .
B2 B6 B5 61.5(8) .
B7 B6 B3 60.3(8) .
B2 B6 B3 59.7(6) .
B5 B6 B3 108.1(7) .
B7 B6 B10 56.0(11) .
B2 B6 B10 109.1(8) .
B5 B6 B10 60.7(10) .
B3 B6 B10 105.9(9) .
B7 B6 H6 124.0 .
B2 B6 H6 120.6 .
B5 B6 H6 121.5 .
B3 B6 H6 122.1 .
B10 B6 H6 122.9 .
B10 B7 B6 64.1(10) .
B10 B7 B3 112.8(13) .
B6 B7 B3 60.9(8) .
B10 B7 B4 110.7(13) .
B6 B7 B4 109.9(9) .
B3 B7 B4 59.8(7) .
B10 B7 B8 60.6(12) .
B6 B7 B8 111.3(15) .
B3 B7 B8 108.9(8) .
B4 B7 B8 60.3(9) .
B10 B7 H7 118.2 .
B6 B7 H7 119.1 .
B3 B7 H7 120.6 .
B4 B7 H7 121.4 .
B8 B7 H7 121.2 .
B9 B8 C3 59.2(9) .
B9 B8 B10 61.1(12) .
C3 B8 B10 105.3(14) .
B9 B8 B4 108.4(10) .
C3 B8 B4 59.6(7) .
B10 B8 B4 105.4(10) .
B9 B8 B7 104.3(13) .
C3 B8 B7 102.6(9) .
B10 B8 B7 55.7(10) .
B4 B8 B7 58.8(9) .
B9 B8 H8 121.4 .
C3 B8 H8 124.0 .
B10 B8 H8 123.5 .
B4 B8 H8 121.7 .
B7 B8 H8 126.1 .
C3 B9 B8 60.6(9) .
C3 B9 B10 106.6(13) .
B8 B9 B10 61.3(13) .
C3 B9 B5 105.0(8) .
B8 B9 B5 111.5(12) .
B10 B9 B5 61.7(9) .
C3 B9 B1 58.4(6) .
B8 B9 B1 110.3(9) .
B10 B9 B1 108.9(8) .
B5 B9 B1 59.2(9) .
C3 B9 H9 124.3 .
B8 B9 H9 118.8 .
B10 B9 H9 121.0 .
B5 B9 H9 121.5 .
B1 B9 H9 121.6 .
B7 B10 B9 107.7(9) .
B7 B10 B8 63.7(12) .
B9 B10 B8 57.5(10) .
B7 B10 B5 106.6(9) .
B9 B10 B5 59.7(11) .
B8 B10 B5 106.8(10) .
B7 B10 B6 59.8(9) .
B9 B10 B6 106.6(10) .
B8 B10 B6 110.4(9) .
B5 B10 B6 58.5(8) .
B7 B10 H10 120.8 .
B9 B10 H10 123.3 .
B8 B10 H10 120.5 .
B5 B10 H10 123.3 .
B6 B10 H10 121.7 .
C5 B11 B16 105.1(11) .
C5 B11 C6 58.5(5) .
B16 B11 C6 107.3(10) .
C5 B11 B12 57.8(7) .
B16 B11 B12 61.4(8) .
C6 B11 B12 107.0(10) .
C5 B11 B15 102.8(7) .
B16 B11 B15 57.9(7) .
C6 B11 B15 59.5(6) .
B12 B11 B15 105.8(9) .
C5 B11 H11 125.2 .
B16 B11 H11 122.1 .
C6 B11 H11 121.8 .
B12 B11 H11 122.0 .
B15 B11 H11 124.4 .
C5 B12 B13 55.8(7) .
C5 B12 B11 60.1(6) .
B13 B12 B11 104.4(8) .
C5 B12 B17 104.2(12) .
B13 B12 B17 58.7(10) .
B11 B12 B17 107.8(8) .
C5 B12 B16 104.8(8) .
B13 B12 B16 104.8(11) .
B11 B12 B16 58.6(8) .
B17 B12 B16 60.9(10) .
C5 B12 H12 124.6 .
B13 B12 H12 125.0 .
B11 B12 H12 122.2 .
B17 B12 H12 121.9 .
B16 B12 H12 123.0 .
C5 B13 B18 112.1(8) .
C5 B13 B17 110.1(11) .
B18 B13 B17 64.6(9) .
C5 B13 B14 62.2(6) .
B18 B13 B14 62.6(9) .
B17 B13 B14 115.5(8) .
C5 B13 B12 60.4(7) .
B18 B13 B12 115.1(10) .
B17 B13 B12 61.4(11) .
B14 B13 B12 114.3(7) .
C5 B13 H13 121.3 .
B18 B13 H13 117.2 .
B17 B13 H13 118.4 .
B14 B13 H13 117.1 .
B12 B13 H13 118.5 .
C5 B14 B13 55.4(6) .
C5 B14 C6 58.7(5) .
B13 B14 C6 102.5(9) .
C5 B14 B18 103.0(11) .
B13 B14 B18 58.0(9) .
C6 B14 B18 106.5(8) .
C5 B14 B19 104.6(7) .
B13 B14 B19 103.4(9) .
C6 B14 B19 59.8(6) .
B18 B14 B19 59.5(7) .
C5 B14 H14 125.1 .
B13 B14 H14 126.1 .
C6 B14 H14 122.9 .
B18 B14 H14 123.1 .
B19 B14 H14 123.0 .
B16 B15 B19 114.1(12) .
B16 B15 C6 109.7(8) .
B19 B15 C6 60.7(6) .
B16 B15 B20 63.2(10) .
B19 B15 B20 62.2(8) .
C6 B15 B20 109.8(8) .
B16 B15 B11 60.4(7) .
B19 B15 B11 110.9(7) .
C6 B15 B11 60.0(6) .
B20 B15 B11 110.9(9) .
B16 B15 H15 118.8 .
B19 B15 H15 118.5 .
C6 B15 H15 121.8 .
B20 B15 H15 119.4 .
B11 B15 H15 120.9 .
B15 B16 B11 61.7(7) .
B15 B16 B12 107.6(10) .
B11 B16 B12 60.0(7) .
B15 B16 B17 105.4(15) .
B11 B16 B17 107.3(11) .
B12 B16 B17 59.0(10) .
B15 B16 B20 60.0(9) .
B11 B16 B20 109.5(12) .
B12 B16 B20 105.7(15) .
B17 B16 B20 57.5(10) .
B15 B16 H16 121.8 .
B11 B16 H16 120.2 .
B12 B16 H16 122.7 .
B17 B16 H16 124.0 .
B20 B16 H16 122.5 .
B13 B17 B20 104.3(10) .
B13 B17 B12 59.9(8) .
B20 B17 B12 109.8(12) .
B13 B17 B16 105.1(10) .
B20 B17 B16 61.4(9) .
B12 B17 B16 60.1(10) .
B13 B17 B18 57.2(9) .
B20 B17 B18 59.3(9) .
B12 B17 B18 107.8(9) .
B16 B17 B18 107.6(11) .
B13 B17 H17 125.1 .
B20 B17 H17 121.6 .
B12 B17 H17 120.4 .
B16 B17 H17 121.9 .
B18 B17 H17 122.7 .
B13 B18 B20 103.9(12) .
B13 B18 B19 105.1(7) .
B20 B18 B19 61.5(7) .
B13 B18 B14 59.4(7) .
B20 B18 B14 109.5(9) .
B19 B18 B14 60.3(8) .
B13 B18 B17 58.2(10) .
B20 B18 B17 57.7(9) .
B19 B18 B17 106.8(11) .
B14 B18 B17 107.8(10) .
B13 B18 H18 124.9 .
B20 B18 H18 122.3 .
B19 B18 H18 121.9 .
B14 B18 H18 120.5 .
B17 B18 H18 123.1 .
B15 B19 C6 59.8(6) .
B15 B19 B18 106.2(11) .
C6 B19 B18 106.4(8) .
B15 B19 B14 107.1(7) .
C6 B19 B14 59.1(6) .
B18 B19 B14 60.2(7) .
B15 B19 B20 59.3(7) .
C6 B19 B20 106.8(8) .
B18 B19 B20 59.1(9) .
B14 B19 B20 107.5(9) .
B15 B19 H19 122.5 .
C6 B19 H19 122.6 .
B18 B19 H19 122.7 .
B14 B19 H19 121.9 .
B20 B19 H19 122.3 .
B17 B20 B15 105.7(9) .
B17 B20 B18 63.0(11) .
B15 B20 B18 105.7(8) .
B17 B20 B19 109.2(9) .
B15 B20 B19 58.5(7) .
B18 B20 B19 59.3(9) .
B17 B20 B16 61.1(11) .
B15 B20 B16 56.8(7) .
B18 B20 B16 110.1(10) .
B19 B20 B16 105.8(8) .
B17 B20 H20 120.2 .
B15 B20 H20 125.1 .
B18 B20 H20 120.5 .
B19 B20 H20 122.6 .
B16 B20 H20 122.1 .
C7 N1 C11 116.3(8) .
C7 N1 Cu1 123.2(6) .
C11 N1 Cu1 119.9(6) .
N1 C7 C8 123.9(9) .
N1 C7 H7A 118.1 .
C8 C7 H7A 118.1 .
C9 C8 C7 118.8(10) .
C9 C8 H8A 120.6 .
C7 C8 H8A 120.6 .
C8 C9 C10 119.2(10) .
C8 C9 H9A 120.4 .
C10 C9 H9A 120.4 .
C9 C10 C11 118.3(10) .
C9 C10 H10A 120.8 .
C11 C10 H10A 120.9 .
N1 C11 C10 123.5(9) .
N1 C11 H11A 118.2 .
C10 C11 H11A 118.2 .
C116 N2 C12 117.0(9) .
C116 N2 Cu1 118.7(7) .
C12 N2 Cu1 124.1(6) .
N2 C12 C13 125.2(12) .
N2 C12 H12A 117.4 .
C13 C12 H12A 117.4 .
C12 C13 C14 118.1(13) .
C12 C13 H13A 121.0 .
C14 C13 H13A 121.0 .
C13 C14 C15 118.7(11) .
C13 C14 H14A 120.7 .
C15 C14 H14A 120.7 .
C14 C15 C116 118.8(12) .
C14 C15 H15A 120.6 .
C116 C15 H15A 120.6 .
N2 C116 C15 122.0(12) .
N2 C116 H16A 119.0 .
C15 C116 H16A 119.0 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O3 1.955(4) .
Cu1 O1 1.975(5) .
Cu1 N1 2.013(8) .
Cu1 N2 2.020(8) .
Cu1 O4 2.289(5) 2_667
O1 C4 1.267(8) .
O2 C4 1.228(9) .
O3 C1 1.266(8) .
O4 C1 1.218(8) .
O4 Cu1 2.289(5) 2_667
C1 C2 1.533(8) .
B1 C3 1.689(19) .
B1 C2 1.698(12) .
B1 B5 1.756(15) .
B1 B2 1.757(16) .
B1 B9 1.80(2) .
B1 H1 1.1000 .
C2 C3 1.590(10) .
C2 B4 1.680(13) .
C2 B3 1.702(11) .
C2 B2 1.720(12) .
B2 B6 1.748(16) .
B2 B3 1.749(19) .
B2 B5 1.789(17) .
B2 H2 1.1000 .
C3 B9 1.658(15) .
C3 B8 1.682(17) .
C3 B4 1.725(19) .
C3 H3B 1.1000 .
B3 B4 1.748(19) .
B3 B7 1.752(18) .
B3 B6 1.762(15) .
B3 H3 1.1000 .
C4 C5 1.520(9) .
B4 B7 1.754(17) .
B4 B8 1.78(2) .
B4 H4 1.1000 .
C5 B13 1.601(11) .
C5 B12 1.684(15) .
C5 C6 1.699(12) .
C5 B14 1.720(14) .
C5 B11 1.725(13) .
B5 B6 1.753(19) .
B5 B9 1.76(2) .
B5 B10 1.79(3) .
B5 H5 1.1000 .
C6 B15 1.741(13) .
C6 B14 1.743(15) .
C6 B11 1.749(15) .
C6 B19 1.757(15) .
C6 H6B 1.1000 .
B6 B7 1.72(2) .
B6 B10 1.793(16) .
B6 H6 1.1000 .
B7 B10 1.65(3) .
B7 B8 1.79(3) .
B7 H7 1.1000 .
B8 B9 1.68(3) .
B8 B10 1.74(2) .
B8 H8 1.1000 .
B9 B10 1.74(2) .
B9 H9 1.1000 .
B10 H10 1.1000 .
B11 B16 1.734(17) .
B11 B12 1.76(2) .
B11 B15 1.756(14) .
B11 H11 1.1000 .
B12 B13 1.74(3) .
B12 B17 1.76(2) .
B12 B16 1.78(2) .
B12 H12 1.1000 .
B13 B18 1.697(19) .
B13 B17 1.72(2) .
B13 B14 1.72(2) .
B13 H13 1.1000 .
B14 B18 1.775(19) .
B14 B19 1.778(15) .
B14 H14 1.1000 .
B15 B16 1.691(19) .
B15 B19 1.736(16) .
B15 B20 1.750(18) .
B15 H15 1.1000 .
B16 B17 1.80(3) .
B16 B20 1.80(3) .
B16 H16 1.1000 .
B17 B20 1.731(19) .
B17 B18 1.82(3) .
B17 H17 1.1000 .
B18 B20 1.76(2) .
B18 B19 1.76(2) .
B18 H18 1.1000 .
B19 B20 1.802(18) .
B19 H19 1.1000 .
B20 H20 1.1000 .
N1 C7 1.325(11) .
N1 C11 1.324(10) .
C7 C8 1.372(14) .
C7 H7A 0.9300 .
C8 C9 1.351(17) .
C8 H8A 0.9300 .
C9 C10 1.361(17) .
C9 H9A 0.9300 .
C10 C11 1.383(14) .
C10 H10A 0.9300 .
C11 H11A 0.9300 .
N2 C116 1.298(12) .
N2 C12 1.307(12) .
C12 C13 1.344(16) .
C12 H12A 0.9300 .
C13 C14 1.35(2) .
C13 H13A 0.9300 .
C14 C15 1.35(2) .
C14 H14A 0.9300 .
C15 C116 1.392(17) .
C15 H15A 0.9300 .
C116 H16A 0.9300 .
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
Cu1 O4 C1 O3 -72.7(15) 2_667
Cu1 O4 C1 C2 107.1(12) 2_667
Cu1 O3 C1 O4 -11.3(11) .
Cu1 O3 C1 C2 168.8(4) .
O4 C1 C2 C3 -10.6(10) .
O3 C1 C2 C3 169.3(7) .
O4 C1 C2 B4 -82.9(10) .
O3 C1 C2 B4 97.0(9) .
O4 C1 C2 B1 58.0(9) .
O3 C1 C2 B1 -122.1(8) .
O4 C1 C2 B3 -157.1(8) .
O3 C1 C2 B3 22.8(11) .
O4 C1 C2 B2 128.2(8) .
O3 C1 C2 B2 -51.9(9) .
C3 B1 C2 C1 -107.3(6) .
B5 B1 C2 C1 156.2(10) .
B2 B1 C2 C1 113.8(7) .
B9 B1 C2 C1 -142.8(6) .
B5 B1 C2 C3 -96.4(11) .
B2 B1 C2 C3 -138.8(8) .
B9 B1 C2 C3 -35.4(6) .
C3 B1 C2 B4 34.7(7) .
B5 B1 C2 B4 -61.8(12) .
B2 B1 C2 B4 -104.2(9) .
B9 B1 C2 B4 -0.8(9) .
C3 B1 C2 B3 103.8(7) .
B5 B1 C2 B3 7.4(14) .
B2 B1 C2 B3 -35.0(9) .
B9 B1 C2 B3 68.4(9) .
C3 B1 C2 B2 138.8(8) .
B5 B1 C2 B2 42.4(10) .
B9 B1 C2 B2 103.4(8) .
C1 C2 B2 B6 155.8(7) .
C3 C2 B2 B6 -63.8(10) .
B4 C2 B2 B6 5.6(11) .
B1 C2 B2 B6 -102.2(9) .
B3 C2 B2 B6 40.9(7) .
C1 C2 B2 B3 114.9(7) .
C3 C2 B2 B3 -104.7(8) .
B4 C2 B2 B3 -35.3(9) .
B1 C2 B2 B3 -143.2(9) .
C1 C2 B2 B1 -101.9(9) .
C3 C2 B2 B1 38.5(9) .
B4 C2 B2 B1 107.9(10) .
B3 C2 B2 B1 143.2(9) .
C1 C2 B2 B5 -142.8(9) .
C3 C2 B2 B5 -2.4(11) .
B4 C2 B2 B5 67.0(12) .
B1 C2 B2 B5 -40.9(10) .
B3 C2 B2 B5 102.3(10) .
C3 B1 B2 C2 -34.4(6) .
B5 B1 B2 C2 -132.2(11) .
B9 B1 B2 C2 -93.6(11) .
C3 B1 B2 B6 62.2(9) .
C2 B1 B2 B6 96.6(9) .
B5 B1 B2 B6 -35.5(11) .
B9 B1 B2 B6 3.1(13) .
C3 B1 B2 B3 -1.8(9) .
C2 B1 B2 B3 32.6(7) .
B5 B1 B2 B3 -99.5(11) .
B9 B1 B2 B3 -61.0(11) .
C3 B1 B2 B5 97.8(11) .
C2 B1 B2 B5 132.2(11) .
B9 B1 B2 B5 38.6(12) .
C1 C2 C3 B9 146.2(12) .
B4 C2 C3 B9 -103.2(13) .
B1 C2 C3 B9 41.9(12) .
B3 C2 C3 B9 -63.3(14) .
B2 C2 C3 B9 3.4(14) .
C1 C2 C3 B8 -147.9(12) .
B4 C2 C3 B8 -37.3(12) .
B1 C2 C3 B8 107.9(13) .
B3 C2 C3 B8 2.6(14) .
B2 C2 C3 B8 69.3(14) .
C1 C2 C3 B1 104.2(7) .
B4 C2 C3 B1 -145.2(7) .
B3 C2 C3 B1 -105.3(8) .
B2 C2 C3 B1 -38.5(7) .
C1 C2 C3 B4 -110.6(7) .
B1 C2 C3 B4 145.2(7) .
B3 C2 C3 B4 39.9(7) .
B2 C2 C3 B4 106.6(8) .
B5 B1 C3 C2 99.4(7) .
B2 B1 C3 C2 36.0(6) .
B9 B1 C3 C2 137.2(8) .
C2 B1 C3 B9 -137.2(8) .
B5 B1 C3 B9 -37.8(9) .
B2 B1 C3 B9 -101.2(9) .
C2 B1 C3 B8 -103.3(11) .
B5 B1 C3 B8 -3.9(13) .
B2 B1 C3 B8 -67.3(12) .
B9 B1 C3 B8 33.9(11) .
C2 B1 C3 B4 -33.1(6) .
B5 B1 C3 B4 66.4(9) .
B2 B1 C3 B4 3.0(9) .
B9 B1 C3 B4 104.2(9) .
C1 C2 B3 B4 107.0(9) .
C3 C2 B3 B4 -40.5(8) .
B1 C2 B3 B4 -108.1(9) .
B2 C2 B3 B4 -143.2(8) .
C1 C2 B3 B2 -109.8(8) .
C3 C2 B3 B2 102.7(8) .
B4 C2 B3 B2 143.2(8) .
B1 C2 B3 B2 35.1(9) .
C1 C2 B3 B7 148.9(9) .
C3 C2 B3 B7 1.5(12) .
B4 C2 B3 B7 41.9(10) .
B1 C2 B3 B7 -66.1(12) .
B2 C2 B3 B7 -101.3(10) .
C1 C2 B3 B6 -150.4(7) .
C3 C2 B3 B6 62.1(10) .
B4 C2 B3 B6 102.6(9) .
B1 C2 B3 B6 -5.5(12) .
B2 C2 B3 B6 -40.6(8) .
B6 B2 B3 C2 -133.3(7) .
B1 B2 B3 C2 -32.5(6) .
B5 B2 B3 C2 -95.1(7) .
C2 B2 B3 B4 32.6(6) .
B6 B2 B3 B4 -100.7(8) .
B1 B2 B3 B4 0.1(10) .
B5 B2 B3 B4 -62.5(8) .
C2 B2 B3 B7 96.0(8) .
B6 B2 B3 B7 -37.3(8) .
B1 B2 B3 B7 63.5(10) .
B5 B2 B3 B7 0.9(10) .
C2 B2 B3 B6 133.3(7) .
B1 B2 B3 B6 100.8(9) .
B5 B2 B3 B6 38.2(7) .
Cu1 O1 C4 O2 6.4(11) .
Cu1 O1 C4 C5 -171.0(5) .
C1 C2 B4 C3 106.1(7) .
B1 C2 B4 C3 -34.0(7) .
B3 C2 B4 C3 -137.9(7) .
B2 C2 B4 C3 -102.9(7) .
C1 C2 B4 B3 -116.0(7) .
C3 C2 B4 B3 137.9(7) .
B1 C2 B4 B3 103.9(7) .
B2 C2 B4 B3 35.0(8) .
C1 C2 B4 B7 -158.1(10) .
C3 C2 B4 B7 95.9(11) .
B1 C2 B4 B7 61.9(13) .
B3 C2 B4 B7 -42.0(10) .
B2 C2 B4 B7 -7.0(14) .
C1 C2 B4 B8 139.0(8) .
C3 C2 B4 B8 32.9(8) .
B1 C2 B4 B8 -1.1(11) .
B3 C2 B4 B8 -105.0(8) .
B2 C2 B4 B8 -70.0(11) .
B9 C3 B4 C2 104.9(11) .
B8 C3 B4 C2 141.1(9) .
B1 C3 B4 C2 33.6(7) .
C2 C3 B4 B3 -36.5(6) .
B9 C3 B4 B3 68.4(12) .
B8 C3 B4 B3 104.6(10) .
B1 C3 B4 B3 -2.9(9) .
C2 C3 B4 B7 -98.4(9) .
B9 C3 B4 B7 6.5(14) .
B8 C3 B4 B7 42.8(11) .
B1 C3 B4 B7 -64.8(10) .
C2 C3 B4 B8 -141.1(10) .
B9 C3 B4 B8 -36.2(11) .
B1 C3 B4 B8 -107.5(10) .
B2 B3 B4 C2 -33.2(7) .
B7 B3 B4 C2 -131.4(11) .
B6 B3 B4 C2 -96.6(9) .
C2 B3 B4 C3 34.8(5) .
B2 B3 B4 C3 1.6(9) .
B7 B3 B4 C3 -96.6(11) .
B6 B3 B4 C3 -61.8(9) .
C2 B3 B4 B7 131.4(11) .
B2 B3 B4 B7 98.2(11) .
B6 B3 B4 B7 34.8(11) .
C2 B3 B4 B8 94.6(12) .
B2 B3 B4 B8 61.5(12) .
B7 B3 B4 B8 -36.7(13) .
B6 B3 B4 B8 -1.9(14) .
O2 C4 C5 B13 -3.7(13) .
O1 C4 C5 B13 173.9(10) .
O2 C4 C5 B12 68.8(13) .
O1 C4 C5 B12 -113.7(11) .
O2 C4 C5 C6 -145.4(9) .
O1 C4 C5 C6 32.1(11) .
O2 C4 C5 B14 -74.3(11) .
O1 C4 C5 B14 103.2(9) .
O2 C4 C5 B11 140.6(9) .
O1 C4 C5 B11 -41.9(11) .
C3 B1 B5 B6 -64.2(13) .
C2 B1 B5 B6 -6.2(15) .
B2 B1 B5 B6 35.4(10) .
B9 B1 B5 B6 -100.8(15) .
C3 B1 B5 B9 36.6(11) .
C2 B1 B5 B9 94.6(12) .
B2 B1 B5 B9 136.2(13) .
C3 B1 B5 B2 -99.6(9) .
C2 B1 B5 B2 -41.6(9) .
B9 B1 B5 B2 -136.2(13) .
C3 B1 B5 B10 0.1(11) .
C2 B1 B5 B10 58.1(12) .
B2 B1 B5 B10 99.7(10) .
B9 B1 B5 B10 -36.5(12) .
C2 B2 B5 B6 -99.6(9) .
B3 B2 B5 B6 -38.7(8) .
B1 B2 B5 B6 -140.1(11) .
C2 B2 B5 B9 0.7(15) .
B6 B2 B5 B9 100.4(15) .
B3 B2 B5 B9 61.7(14) .
B1 B2 B5 B9 -39.7(12) .
C2 B2 B5 B1 40.4(9) .
B6 B2 B5 B1 140.1(11) .
B3 B2 B5 B1 101.3(10) .
C2 B2 B5 B10 -61.1(10) .
B6 B2 B5 B10 38.5(8) .
B3 B2 B5 B10 -0.2(10) .
B1 B2 B5 B10 -101.5(11) .
C4 C5 C6 B15 -153.1(8) .
B13 C5 C6 B15 62.7(11) .
B12 C5 C6 B15 -6.3(11) .
B14 C5 C6 B15 103.1(8) .
B11 C5 C6 B15 -42.4(7) .
C4 C5 C6 B14 103.8(9) .
B13 C5 C6 B14 -40.4(9) .
B12 C5 C6 B14 -109.5(10) .
B11 C5 C6 B14 -145.5(8) .
C4 C5 C6 B11 -110.8(9) .
B13 C5 C6 B11 105.1(9) .
B12 C5 C6 B11 36.0(10) .
B14 C5 C6 B11 145.5(8) .
C4 C5 C6 B19 144.9(8) .
B13 C5 C6 B19 0.7(11) .
B12 C5 C6 B19 -68.3(11) .
B14 C5 C6 B19 41.1(8) .
B11 C5 C6 B19 -104.3(8) .
C2 B2 B6 B7 -1.7(12) .
B3 B2 B6 B7 38.4(10) .
B1 B2 B6 B7 -62.8(12) .
B5 B2 B6 B7 -98.3(11) .
C2 B2 B6 B5 96.6(9) .
B3 B2 B6 B5 136.6(9) .
B1 B2 B6 B5 35.5(9) .
C2 B2 B6 B3 -40.1(6) .
B1 B2 B6 B3 -101.1(9) .
B5 B2 B6 B3 -136.6(9) .
C2 B2 B6 B10 57.6(12) .
B3 B2 B6 B10 97.6(11) .
B1 B2 B6 B10 -3.5(13) .
B5 B2 B6 B10 -39.0(11) .
B9 B5 B6 B7 1.4(11) .
B1 B5 B6 B7 66.4(13) .
B2 B5 B6 B7 101.9(8) .
B10 B5 B6 B7 -35.2(8) .
B9 B5 B6 B2 -100.4(8) .
B1 B5 B6 B2 -35.5(10) .
B10 B5 B6 B2 -137.0(9) .
B9 B5 B6 B3 -61.8(12) .
B1 B5 B6 B3 3.1(15) .
B2 B5 B6 B3 38.6(9) .
B10 B5 B6 B3 -98.4(10) .
B9 B5 B6 B10 36.6(9) .
B1 B5 B6 B10 101.5(12) .
B2 B5 B6 B10 137.0(9) .
C2 B3 B6 B7 -96.4(10) .
B4 B3 B6 B7 -35.4(10) .
B2 B3 B6 B7 -137.0(10) .
C2 B3 B6 B2 40.6(7) .
B4 B3 B6 B2 101.6(9) .
B7 B3 B6 B2 137.0(10) .
C2 B3 B6 B5 1.2(12) .
B4 B3 B6 B5 62.2(13) .
B2 B3 B6 B5 -39.4(10) .
B7 B3 B6 B5 97.7(12) .
C2 B3 B6 B10 -62.5(12) .
B4 B3 B6 B10 -1.5(13) .
B2 B3 B6 B10 -103.2(11) .
B7 B3 B6 B10 33.9(11) .
B2 B6 B7 B10 101.6(9) .
B5 B6 B7 B10 37.3(8) .
B3 B6 B7 B10 139.7(9) .
B2 B6 B7 B3 -38.1(9) .
B5 B6 B7 B3 -102.4(9) .
B10 B6 B7 B3 -139.7(9) .
B2 B6 B7 B4 -2.5(16) .
B5 B6 B7 B4 -66.8(14) .
B3 B6 B7 B4 35.6(11) .
B10 B6 B7 B4 -104.1(14) .
B2 B6 B7 B8 62.4(11) .
B5 B6 B7 B8 -1.9(11) .
B3 B6 B7 B8 100.5(8) .
B10 B6 B7 B8 -39.2(9) .
C2 B3 B7 B10 60.6(12) .
B4 B3 B7 B10 101.5(13) .
B2 B3 B7 B10 -1.4(13) .
B6 B3 B7 B10 -39.1(9) .
C2 B3 B7 B6 99.7(9) .
B4 B3 B7 B6 140.7(11) .
B2 B3 B7 B6 37.8(8) .
C2 B3 B7 B4 -40.9(9) .
B2 B3 B7 B4 -102.9(10) .
B6 B3 B7 B4 -140.7(11) .
C2 B3 B7 B8 -4.7(17) .
B4 B3 B7 B8 36.3(13) .
B2 B3 B7 B8 -66.6(16) .
B6 B3 B7 B8 -104.4(16) .
C2 B4 B7 B10 -63.3(15) .
C3 B4 B7 B10 -6.0(15) .
B3 B4 B7 B10 -105.0(14) .
B8 B4 B7 B10 34.8(14) .
C2 B4 B7 B6 5.7(16) .
C3 B4 B7 B6 63.0(14) .
B3 B4 B7 B6 -36.1(10) .
B8 B4 B7 B6 103.8(16) .
C2 B4 B7 B3 41.8(9) .
C3 B4 B7 B3 99.1(9) .
B8 B4 B7 B3 139.9(14) .
C2 B4 B7 B8 -98.1(13) .
C3 B4 B7 B8 -40.8(12) .
B3 B4 B7 B8 -139.9(14) .
C2 C3 B8 B9 -104.5(11) .
B1 C3 B8 B9 -35.6(11) .
B4 C3 B8 B9 -140.9(10) .
C2 C3 B8 B10 -62.7(17) .
B9 C3 B8 B10 41.7(11) .
B1 C3 B8 B10 6.2(17) .
B4 C3 B8 B10 -99.1(13) .
C2 C3 B8 B4 36.4(10) .
B9 C3 B8 B4 140.9(10) .
B1 C3 B8 B4 105.3(10) .
C2 C3 B8 B7 -5.2(18) .
B9 C3 B8 B7 99.2(14) .
B1 C3 B8 B7 63.7(18) .
B4 C3 B8 B7 -41.6(13) .
C2 B4 B8 B9 2.6(12) .
C3 B4 B8 B9 34.8(9) .
B3 B4 B8 B9 -59.5(13) .
B7 B4 B8 B9 -95.9(13) .
C2 B4 B8 C3 -32.2(8) .
B3 B4 B8 C3 -94.3(9) .
B7 B4 B8 C3 -130.7(13) .
C2 B4 B8 B10 66.8(15) .
C3 B4 B8 B10 99.0(16) .
B3 B4 B8 B10 4.7(18) .
B7 B4 B8 B10 -31.7(13) .
C2 B4 B8 B7 98.5(12) .
C3 B4 B8 B7 130.7(13) .
B3 B4 B8 B7 36.4(12) .
B10 B7 B8 B9 -39.1(11) .
B6 B7 B8 B9 1.7(12) .
B3 B7 B8 B9 67.0(15) .
B4 B7 B8 B9 103.1(10) .
B10 B7 B8 C3 -100.1(17) .
B6 B7 B8 C3 -59.3(15) .
B3 B7 B8 C3 6(2) .
B4 B7 B8 C3 42.1(11) .
B6 B7 B8 B10 40.8(10) .
B3 B7 B8 B10 106.1(15) .
B4 B7 B8 B10 142.2(13) .
B10 B7 B8 B4 -142.2(13) .
B6 B7 B8 B4 -101.4(10) .
B3 B7 B8 B4 -36.1(12) .
C2 C3 B9 B8 103.7(12) .
B1 C3 B9 B8 144.5(10) .
B4 C3 B9 B8 37.4(11) .
C2 C3 B9 B10 61.6(18) .
B8 C3 B9 B10 -42.1(12) .
B1 C3 B9 B10 102.4(13) .
B4 C3 B9 B10 -4.8(17) .
C2 C3 B9 B5 -2.8(18) .
B8 C3 B9 B5 -106.5(14) .
B1 C3 B9 B5 38.0(12) .
B4 C3 B9 B5 -69.1(17) .
C2 C3 B9 B1 -40.8(9) .
B8 C3 B9 B1 -144.5(10) .
B4 C3 B9 B1 -107.2(9) .
B10 B8 B9 C3 -132.9(8) .
B4 B8 B9 C3 -35.0(8) .
B7 B8 B9 C3 -96.4(8) .
C3 B8 B9 B10 132.9(8) .
B4 B8 B9 B10 97.8(11) .
B7 B8 B9 B10 36.5(8) .
C3 B8 B9 B5 95.6(10) .
B10 B8 B9 B5 -37.2(9) .
B4 B8 B9 B5 60.6(13) .
B7 B8 B9 B5 -0.7(12) .
C3 B8 B9 B1 31.8(8) .
B10 B8 B9 B1 -101.1(9) .
B4 B8 B9 B1 -3.2(13) .
B7 B8 B9 B1 -64.6(10) .
B6 B5 B9 C3 63.5(16) .
B1 B5 B9 C3 -37.6(11) .
B2 B5 B9 C3 1.1(19) .
B10 B5 B9 C3 101.0(16) .
B6 B5 B9 B8 -0.4(13) .
B1 B5 B9 B8 -101.5(10) .
B2 B5 B9 B8 -62.8(15) .
B10 B5 B9 B8 37.1(11) .
B6 B5 B9 B10 -37.5(9) .
B1 B5 B9 B10 -138.6(11) .
B2 B5 B9 B10 -99.9(11) .
B6 B5 B9 B1 101.1(9) .
B2 B5 B9 B1 38.7(11) .
B10 B5 B9 B1 138.6(11) .
C2 B1 B9 C3 35.1(6) .
B5 B1 B9 C3 136.2(11) .
B2 B1 B9 C3 96.7(8) .
C3 B1 B9 B8 -32.6(9) .
C2 B1 B9 B8 2.5(11) .
B5 B1 B9 B8 103.5(12) .
B2 B1 B9 B8 64.1(12) .
C3 B1 B9 B10 -98.2(16) .
C2 B1 B9 B10 -63.1(14) .
B5 B1 B9 B10 38.0(12) .
B2 B1 B9 B10 -1.5(17) .
C3 B1 B9 B5 -136.2(11) .
C2 B1 B9 B5 -101.1(9) .
B2 B1 B9 B5 -39.5(10) .
B6 B7 B10 B9 -99.3(14) .
B3 B7 B10 B9 -61.5(16) .
B4 B7 B10 B9 3.4(18) .
B8 B7 B10 B9 38.1(11) .
B6 B7 B10 B8 -137.4(10) .
B3 B7 B10 B8 -99.6(11) .
B4 B7 B10 B8 -34.7(12) .
B6 B7 B10 B5 -36.6(8) .
B3 B7 B10 B5 1.2(13) .
B4 B7 B10 B5 66.1(14) .
B8 B7 B10 B5 100.9(10) .
B3 B7 B10 B6 37.8(9) .
B4 B7 B10 B6 102.7(11) .
B8 B7 B10 B6 137.4(10) .
C3 B9 B10 B7 0.8(19) .
B8 B9 B10 B7 -41.0(13) .
B5 B9 B10 B7 99.2(12) .
B1 B9 B10 B7 62.3(18) .
C3 B9 B10 B8 41.8(11) .
B5 B9 B10 B8 140.3(9) .
B1 B9 B10 B8 103.3(11) .
C3 B9 B10 B5 -98.5(12) .
B8 B9 B10 B5 -140.3(9) .
B1 B9 B10 B5 -36.9(11) .
C3 B9 B10 B6 -62.2(18) .
B8 B9 B10 B6 -104.0(13) .
B5 B9 B10 B6 36.3(10) .
B1 B9 B10 B6 -0.6(18) .
B9 B8 B10 B7 135.8(11) .
C3 B8 B10 B7 95.0(13) .
B4 B8 B10 B7 33.0(12) .
C3 B8 B10 B9 -40.7(10) .
B4 B8 B10 B9 -102.8(11) .
B7 B8 B10 B9 -135.8(11) .
B9 B8 B10 B5 35.2(11) .
C3 B8 B10 B5 -5.6(17) .
B4 B8 B10 B5 -67.6(16) .
B7 B8 B10 B5 -100.6(10) .
B9 B8 B10 B6 97.2(14) .
C3 B8 B10 B6 56.4(19) .
B4 B8 B10 B6 -6(2) .
B7 B8 B10 B6 -38.6(12) .
B6 B5 B10 B7 37.2(9) .
B9 B5 B10 B7 -101.1(10) .
B1 B5 B10 B7 -63.4(12) .
B2 B5 B10 B7 -0.6(12) .
B6 B5 B10 B9 138.3(9) .
B1 B5 B10 B9 37.8(9) .
B2 B5 B10 B9 100.5(8) .
B6 B5 B10 B8 104.0(12) .
B9 B5 B10 B8 -34.3(10) .
B1 B5 B10 B8 3.5(14) .
B2 B5 B10 B8 66.2(13) .
B9 B5 B10 B6 -138.3(9) .
B1 B5 B10 B6 -100.6(8) .
B2 B5 B10 B6 -37.8(7) .
B2 B6 B10 B7 -98.6(10) .
B5 B6 B10 B7 -138.0(8) .
B3 B6 B10 B7 -35.8(9) .
B7 B6 B10 B9 101.2(13) .
B2 B6 B10 B9 2.5(17) .
B5 B6 B10 B9 -36.8(12) .
B3 B6 B10 B9 65.4(16) .
B7 B6 B10 B8 40.3(14) .
B2 B6 B10 B8 -58.3(18) .
B5 B6 B10 B8 -97.6(14) .
B3 B6 B10 B8 4.6(18) .
B7 B6 B10 B5 138.0(8) .
B2 B6 B10 B5 39.3(9) .
B3 B6 B10 B5 102.2(9) .
C4 C5 B11 B16 -146.0(8) .
B13 C5 B11 B16 0.0(12) .
B12 C5 B11 B16 -40.9(9) .
C6 C5 B11 B16 101.4(9) .
B14 C5 B11 B16 68.4(11) .
C4 C5 B11 C6 112.7(8) .
B13 C5 B11 C6 -101.4(9) .
B12 C5 B11 C6 -142.2(8) .
B14 C5 B11 C6 -33.0(8) .
C4 C5 B11 B12 -105.1(9) .
B13 C5 B11 B12 40.8(9) .
C6 C5 B11 B12 142.2(8) .
B14 C5 B11 B12 109.2(9) .
C4 C5 B11 B15 154.2(8) .
B13 C5 B11 B15 -59.9(11) .
B12 C5 B11 B15 -100.7(10) .
C6 C5 B11 B15 41.5(7) .
B14 C5 B11 B15 8.5(11) .
B15 C6 B11 C5 131.4(8) .
B14 C6 B11 C5 31.8(6) .
B19 C6 B11 C5 97.7(7) .
C5 C6 B11 B16 -97.4(10) .
B15 C6 B11 B16 34.0(9) .
B14 C6 B11 B16 -65.6(11) .
B19 C6 B11 B16 0.3(12) .
C5 C6 B11 B12 -32.8(6) .
B15 C6 B11 B12 98.6(8) .
B14 C6 B11 B12 -1.0(10) .
B19 C6 B11 B12 64.9(9) .
C5 C6 B11 B15 -131.4(8) .
B14 C6 B11 B15 -99.6(8) .
B19 C6 B11 B15 -33.7(8) .
C4 C5 B12 B13 -109.1(7) .
C6 C5 B12 B13 101.8(8) .
B14 C5 B12 B13 33.5(8) .
B11 C5 B12 B13 137.6(7) .
C4 C5 B12 B11 113.3(7) .
B13 C5 B12 B11 -137.6(7) .
C6 C5 B12 B11 -35.8(8) .
B14 C5 B12 B11 -104.1(9) .
C4 C5 B12 B17 -144.1(9) .
B13 C5 B12 B17 -35.0(10) .
C6 C5 B12 B17 66.9(14) .
B14 C5 B12 B17 -1.5(14) .
B11 C5 B12 B17 102.6(10) .
C4 C5 B12 B16 152.8(11) .
B13 C5 B12 B16 -98.1(12) .
C6 C5 B12 B16 3.7(15) .
B14 C5 B12 B16 -64.7(15) .
B11 C5 B12 B16 39.5(11) .
B16 B11 B12 C5 134.0(12) .
C6 B11 B12 C5 33.1(7) .
B15 B11 B12 C5 95.4(8) .
C5 B11 B12 B13 -35.2(6) .
B16 B11 B12 B13 98.8(11) .
C6 B11 B12 B13 -2.1(9) .
B15 B11 B12 B13 60.3(9) .
C5 B11 B12 B17 -96.5(13) .
B16 B11 B12 B17 37.5(13) .
C6 B11 B12 B17 -63.4(13) .
B15 B11 B12 B17 -1.0(14) .
C5 B11 B12 B16 -134.0(12) .
C6 B11 B12 B16 -100.8(12) .
B15 B11 B12 B16 -38.5(11) .
C4 C5 B13 B18 -145.5(11) .
B12 C5 B13 B18 107.2(13) .
C6 C5 B13 B18 0.8(15) .
B14 C5 B13 B18 -39.1(11) .
B11 C5 B13 B18 67.1(15) .
C4 C5 B13 B17 144.7(9) .
B12 C5 B13 B17 37.4(10) .
C6 C5 B13 B17 -69.1(13) .
B14 C5 B13 B17 -109.0(10) .
B11 C5 B13 B17 -2.7(13) .
C4 C5 B13 B14 -106.3(8) .
B12 C5 B13 B14 146.4(8) .
C6 C5 B13 B14 39.9(8) .
B11 C5 B13 B14 106.3(8) .
C4 C5 B13 B12 107.3(9) .
C6 C5 B13 B12 -106.4(8) .
B14 C5 B13 B12 -146.4(8) .
B11 C5 B13 B12 -40.1(8) .
B11 B12 B13 C5 37.2(6) .
B17 B12 B13 C5 139.5(9) .
B16 B12 B13 C5 98.0(9) .
C5 B12 B13 B18 -102.2(10) .
B11 B12 B13 B18 -65.1(11) .
B17 B12 B13 B18 37.3(11) .
B16 B12 B13 B18 -4.3(13) .
C5 B12 B13 B17 -139.5(9) .
B11 B12 B13 B17 -102.3(9) .
B16 B12 B13 B17 -41.5(9) .
C5 B12 B13 B14 -32.5(7) .
B11 B12 B13 B14 4.6(10) .
B17 B12 B13 B14 107.0(9) .
B16 B12 B13 B14 65.5(10) .
C4 C5 B14 B13 108.8(7) .
B12 C5 B14 B13 -33.9(9) .
C6 C5 B14 B13 -136.6(8) .
B11 C5 B14 B13 -103.6(8) .
C4 C5 B14 C6 -114.7(7) .
B13 C5 B14 C6 136.6(8) .
B12 C5 B14 C6 102.6(10) .
B11 C5 B14 C6 33.0(8) .
C4 C5 B14 B18 143.8(7) .
B13 C5 B14 B18 35.0(8) .
B12 C5 B14 B18 1.1(12) .
C6 C5 B14 B18 -101.5(8) .
B11 C5 B14 B18 -68.5(10) .
C4 C5 B14 B19 -154.8(7) .
B13 C5 B14 B19 96.5(9) .
B12 C5 B14 B19 62.5(12) .
C6 C5 B14 B19 -40.1(8) .
B11 C5 B14 B19 -7.1(12) .
B18 B13 B14 C5 138.8(9) .
B17 B13 B14 C5 100.3(13) .
B12 B13 B14 C5 31.9(7) .
C5 B13 B14 C6 -37.0(6) .
B18 B13 B14 C6 101.8(9) .
B17 B13 B14 C6 63.3(13) .
B12 B13 B14 C6 -5.1(9) .
C5 B13 B14 B18 -138.8(9) .
B17 B13 B14 B18 -38.4(11) .
B12 B13 B14 B18 -106.9(10) .
C5 B13 B14 B19 -98.6(7) .
B18 B13 B14 B19 40.2(9) .
B17 B13 B14 B19 1.8(14) .
B12 B13 B14 B19 -66.7(9) .
B15 C6 B14 C5 -96.5(8) .
B11 C6 B14 C5 -31.9(7) .
B19 C6 B14 C5 -133.9(8) .
C5 C6 B14 B13 35.5(6) .
B15 C6 B14 B13 -61.1(9) .
B11 C6 B14 B13 3.6(9) .
B19 C6 B14 B13 -98.4(8) .
C5 C6 B14 B18 95.5(11) .
B15 C6 B14 B18 -1.1(13) .
B11 C6 B14 B18 63.6(12) .
B19 C6 B14 B18 -38.4(10) .
C5 C6 B14 B19 133.9(8) .
B15 C6 B14 B19 37.3(8) .
B11 C6 B14 B19 102.0(8) .
C5 C6 B15 B16 6.5(13) .
B14 C6 B15 B16 69.2(13) .
B11 C6 B15 B16 -35.6(11) .
B19 C6 B15 B16 107.2(12) .
C5 C6 B15 B19 -100.7(8) .
B14 C6 B15 B19 -38.0(8) .
B11 C6 B15 B19 -142.8(9) .
C5 C6 B15 B20 -61.1(10) .
B14 C6 B15 B20 1.6(12) .
B11 C6 B15 B20 -103.2(10) .
B19 C6 B15 B20 39.6(8) .
C5 C6 B15 B11 42.1(7) .
B14 C6 B15 B11 104.8(9) .
B19 C6 B15 B11 142.8(9) .
C5 B11 B15 B16 99.9(13) .
C6 B11 B15 B16 140.9(12) .
B12 B11 B15 B16 40.2(13) .
C5 B11 B15 B19 -6.6(11) .
B16 B11 B15 B19 -106.6(13) .
C6 B11 B15 B19 34.3(8) .
B12 B11 B15 B19 -66.4(11) .
C5 B11 B15 C6 -41.0(7) .
B16 B11 B15 C6 -140.9(12) .
B12 B11 B15 C6 -100.7(9) .
C5 B11 B15 B20 60.5(10) .
B16 B11 B15 B20 -39.4(12) .
C6 B11 B15 B20 101.5(9) .
B12 B11 B15 B20 0.8(12) .
B19 B15 B16 B11 101.3(9) .
C6 B15 B16 B11 35.5(10) .
B20 B15 B16 B11 138.3(11) .
B19 B15 B16 B12 61.3(15) .
C6 B15 B16 B12 -4.5(17) .
B20 B15 B16 B12 98.4(15) .
B11 B15 B16 B12 -40.0(11) .
B19 B15 B16 B17 -0.4(10) .
C6 B15 B16 B17 -66.2(11) .
B20 B15 B16 B17 36.6(8) .
B11 B15 B16 B17 -101.7(9) .
B19 B15 B16 B20 -37.1(8) .
C6 B15 B16 B20 -102.9(9) .
B11 B15 B16 B20 -138.3(11) .
C5 B11 B16 B15 -95.9(9) .
C6 B11 B16 B15 -34.7(10) .
B12 B11 B16 B15 -135.0(13) .
C5 B11 B16 B12 39.1(10) .
C6 B11 B16 B12 100.3(11) .
B15 B11 B16 B12 135.0(13) .
C5 B11 B16 B17 2.6(13) .
C6 B11 B16 B17 63.8(12) .
B12 B11 B16 B17 -36.5(11) .
B15 B11 B16 B17 98.5(14) .
C5 B11 B16 B20 -58.2(12) .
C6 B11 B16 B20 2.9(14) .
B12 B11 B16 B20 -97.4(15) .
B15 B11 B16 B20 37.6(8) .
C5 B12 B16 B15 0.6(18) .
B13 B12 B16 B15 -57.3(15) .
B11 B12 B16 B15 40.8(11) .
B17 B12 B16 B15 -97.7(15) .
C5 B12 B16 B11 -40.2(10) .
B13 B12 B16 B11 -98.1(9) .
B17 B12 B16 B11 -138.5(12) .
C5 B12 B16 B17 98.3(13) .
B13 B12 B16 B17 40.4(10) .
B11 B12 B16 B17 138.5(12) .
C5 B12 B16 B20 63.5(13) .
B13 B12 B16 B20 5.6(12) .
B11 B12 B16 B20 103.7(11) .
B17 B12 B16 B20 -34.8(10) .
C5 B13 B17 B20 67.9(16) .
B18 B13 B17 B20 -37.7(10) .
B14 B13 B17 B20 -0.1(17) .
B12 B13 B17 B20 104.9(14) .
C5 B13 B17 B12 -37.0(9) .
B18 B13 B17 B12 -142.6(10) .
B14 B13 B17 B12 -105.0(10) .
C5 B13 B17 B16 4.2(15) .
B18 B13 B17 B16 -101.5(11) .
B14 B13 B17 B16 -63.8(15) .
B12 B13 B17 B16 41.2(11) .
C5 B13 B17 B18 105.6(11) .
B14 B13 B17 B18 37.6(11) .
B12 B13 B17 B18 142.6(10) .
C5 B12 B17 B13 33.7(8) .
B11 B12 B17 B13 96.4(10) .
B16 B12 B17 B13 132.9(10) .
C5 B12 B17 B20 -61.7(16) .
B13 B12 B17 B20 -95.4(13) .
B11 B12 B17 B20 1.0(18) .
B16 B12 B17 B20 37.5(13) .
C5 B12 B17 B16 -99.2(11) .
B13 B12 B17 B16 -132.9(10) .
B11 B12 B17 B16 -36.5(11) .
C5 B12 B17 B18 1.2(15) .
B13 B12 B17 B18 -32.4(10) .
B11 B12 B17 B18 64.0(15) .
B16 B12 B17 B18 100.4(12) .
B15 B16 B17 B13 60.5(12) .
B11 B16 B17 B13 -4.1(15) .
B12 B16 B17 B13 -41.0(10) .
B20 B16 B17 B13 98.3(12) .
B15 B16 B17 B20 -37.8(8) .
B11 B16 B17 B20 -102.4(12) .
B12 B16 B17 B20 -139.4(11) .
B15 B16 B17 B12 101.5(10) .
B11 B16 B17 B12 37.0(10) .
B20 B16 B17 B12 139.4(11) .
B15 B16 B17 B18 0.7(10) .
B11 B16 B17 B18 -63.9(12) .
B12 B16 B17 B18 -100.9(10) .
B20 B16 B17 B18 38.5(8) .
C5 B13 B18 B20 -65.7(15) .
B17 B13 B18 B20 36.9(10) .
B14 B13 B18 B20 -104.7(10) .
B12 B13 B18 B20 0.9(14) .
C5 B13 B18 B19 -1.9(17) .
B17 B13 B18 B19 100.7(12) .
B14 B13 B18 B19 -40.9(10) .
B12 B13 B18 B19 64.6(15) .
C5 B13 B18 B14 39.0(10) .
B17 B13 B18 B14 141.6(10) .
B12 B13 B18 B14 105.6(9) .
C5 B13 B18 B17 -102.6(14) .
B14 B13 B18 B17 -141.6(10) .
B12 B13 B18 B17 -36.0(12) .
C5 B14 B18 B13 -33.9(8) .
C6 B14 B18 B13 -94.7(10) .
B19 B14 B18 B13 -133.3(11) .
C5 B14 B18 B20 61.1(14) .
B13 B14 B18 B20 94.9(14) .
C6 B14 B18 B20 0.2(16) .
B19 B14 B18 B20 -38.4(10) .
C5 B14 B18 B19 99.4(9) .
B13 B14 B18 B19 133.3(11) .
C6 B14 B18 B19 38.6(10) .
C5 B14 B18 B17 -0.2(12) .
B13 B14 B18 B17 33.7(10) .
C6 B14 B18 B17 -61.0(13) .
B19 B14 B18 B17 -99.6(11) .
B20 B17 B18 B13 136.4(10) .
B12 B17 B18 B13 33.5(9) .
B16 B17 B18 B13 96.9(9) .
B13 B17 B18 B20 -136.4(10) .
B12 B17 B18 B20 -102.9(13) .
B16 B17 B18 B20 -39.5(8) .
B13 B17 B18 B19 -97.6(8) .
B20 B17 B18 B19 38.8(8) .
B12 B17 B18 B19 -64.1(12) .
B16 B17 B18 B19 -0.7(10) .
B13 B17 B18 B14 -34.1(9) .
B20 B17 B18 B14 102.3(10) .
B12 B17 B18 B14 -0.7(15) .
B16 B17 B18 B14 62.8(11) .
B16 B15 B19 C6 -99.9(8) .
B20 B15 B19 C6 -137.4(8) .
B11 B15 B19 C6 -34.1(8) .
B16 B15 B19 B18 -0.1(10) .
C6 B15 B19 B18 99.9(8) .
B20 B15 B19 B18 -37.5(7) .
B11 B15 B19 B18 65.8(10) .
B16 B15 B19 B14 -63.1(11) .
C6 B15 B19 B14 36.8(8) .
B20 B15 B19 B14 -100.6(9) .
B11 B15 B19 B14 2.7(12) .
B16 B15 B19 B20 37.4(8) .
C6 B15 B19 B20 137.4(8) .
B11 B15 B19 B20 103.3(9) .
C5 C6 B19 B15 97.6(8) .
B14 C6 B19 B15 138.1(9) .
B11 C6 B19 B15 34.1(8) .
C5 C6 B19 B18 -1.9(12) .
B15 C6 B19 B18 -99.4(11) .
B14 C6 B19 B18 38.7(11) .
B11 C6 B19 B18 -65.4(11) .
C5 C6 B19 B14 -40.6(8) .
B15 C6 B19 B14 -138.1(9) .
B11 C6 B19 B14 -104.1(9) .
C5 C6 B19 B20 60.1(9) .
B15 C6 B19 B20 -37.5(8) .
B14 C6 B19 B20 100.7(10) .
B11 C6 B19 B20 -3.4(10) .
B13 B18 B19 B15 -60.3(13) .
B20 B18 B19 B15 37.5(8) .
B14 B18 B19 B15 -100.8(9) .
B17 B18 B19 B15 0.5(10) .
B13 B18 B19 C6 2.3(15) .
B20 B18 B19 C6 100.1(9) .
B14 B18 B19 C6 -38.2(9) .
B17 B18 B19 C6 63.0(10) .
B13 B18 B19 B14 40.5(10) .
B20 B18 B19 B14 138.3(10) .
B17 B18 B19 B14 101.2(9) .
B13 B18 B19 B20 -97.8(14) .
B14 B18 B19 B20 -138.3(10) .
B17 B18 B19 B20 -37.0(8) .
C5 B14 B19 B15 2.4(11) .
B13 B14 B19 B15 59.7(10) .
C6 B14 B19 B15 -37.1(8) .
B18 B14 B19 B15 99.2(11) .
C5 B14 B19 C6 39.6(7) .
B13 B14 B19 C6 96.8(8) .
B18 B14 B19 C6 136.3(12) .
C5 B14 B19 B18 -96.7(12) .
B13 B14 B19 B18 -39.4(11) .
C6 B14 B19 B18 -136.3(12) .
C5 B14 B19 B20 -59.9(11) .
B13 B14 B19 B20 -2.6(10) .
C6 B14 B19 B20 -99.5(9) .
B18 B14 B19 B20 36.8(10) .
B13 B17 B20 B15 -63.2(16) .
B12 B17 B20 B15 -0.5(17) .
B16 B17 B20 B15 36.4(9) .
B18 B17 B20 B15 -99.9(10) .
B13 B17 B20 B18 36.7(10) .
B12 B17 B20 B18 99.5(12) .
B16 B17 B20 B18 136.3(9) .
B13 B17 B20 B19 -1.7(16) .
B12 B17 B20 B19 61.0(17) .
B16 B17 B20 B19 97.9(10) .
B18 B17 B20 B19 -38.4(10) .
B13 B17 B20 B16 -99.6(12) .
B12 B17 B20 B16 -36.9(13) .
B18 B17 B20 B16 -136.3(9) .
B16 B15 B20 B17 -38.4(11) .
B19 B15 B20 B17 103.2(11) .
C6 B15 B20 B17 64.3(13) .
B11 B15 B20 B17 -0.2(14) .
B16 B15 B20 B18 -104.1(12) .
B19 B15 B20 B18 37.5(10) .
C6 B15 B20 B18 -1.4(13) .
B11 B15 B20 B18 -65.9(13) .
B16 B15 B20 B19 -141.6(9) .
C6 B15 B20 B19 -38.9(7) .
B11 B15 B20 B19 -103.4(8) .
B19 B15 B20 B16 141.6(9) .
C6 B15 B20 B16 102.7(10) .
B11 B15 B20 B16 38.2(9) .
B13 B18 B20 B17 -37.1(10) .
B19 B18 B20 B17 -137.0(9) .
B14 B18 B20 B17 -99.2(13) .
B13 B18 B20 B15 62.8(13) .
B19 B18 B20 B15 -37.1(9) .
B14 B18 B20 B15 0.7(16) .
B17 B18 B20 B15 99.9(10) .
B13 B18 B20 B19 99.9(9) .
B14 B18 B20 B19 37.8(11) .
B17 B18 B20 B19 137.0(9) .
B13 B18 B20 B16 2.9(14) .
B19 B18 B20 B16 -96.9(10) .
B14 B18 B20 B16 -59.1(16) .
B17 B18 B20 B16 40.1(10) .
B15 B19 B20 B17 -97.1(12) .
C6 B19 B20 B17 -59.4(13) .
B18 B19 B20 B17 40.0(11) .
B14 B19 B20 B17 2.8(14) .
C6 B19 B20 B15 37.7(7) .
B18 B19 B20 B15 137.1(9) .
B14 B19 B20 B15 99.8(8) .
B15 B19 B20 B18 -137.1(9) .
C6 B19 B20 B18 -99.4(9) .
B14 B19 B20 B18 -37.2(9) .
B15 B19 B20 B16 -32.7(9) .
C6 B19 B20 B16 5.0(11) .
B18 B19 B20 B16 104.4(11) .
B14 B19 B20 B16 67.1(11) .
B15 B16 B20 B17 136.9(10) .
B11 B16 B20 B17 98.6(12) .
B12 B16 B20 B17 35.4(9) .
B11 B16 B20 B15 -38.4(9) .
B12 B16 B20 B15 -101.5(9) .
B17 B16 B20 B15 -136.9(10) .
B15 B16 B20 B18 96.0(11) .
B11 B16 B20 B18 57.7(14) .
B12 B16 B20 B18 -5.5(13) .
B17 B16 B20 B18 -40.9(10) .
B15 B16 B20 B19 33.4(8) .
B11 B16 B20 B19 -4.9(14) .
B12 B16 B20 B19 -68.1(11) .
B17 B16 B20 B19 -103.5(9) .
C11 N1 C7 C8 -0.2(16) .
Cu1 N1 C7 C8 -171.1(10) .
N1 C7 C8 C9 1(2) .
C7 C8 C9 C10 -2(2) .
C8 C9 C10 C11 1.8(19) .
C7 N1 C11 C10 0.0(14) .
Cu1 N1 C11 C10 171.2(8) .
C9 C10 C11 N1 -0.8(17) .
C116 N2 C12 C13 1(2) .
Cu1 N2 C12 C13 -174.0(11) .
N2 C12 C13 C14 -2(2) .
C12 C13 C14 C15 5(3) .
C13 C14 C15 C116 -6(3) .
C12 N2 C116 C15 -2(2) .
Cu1 N2 C116 C15 172.7(14) .
C14 C15 C116 N2 5(3) .
