#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/41/7204103.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_7204103
loop_
_publ_author_name
'Kumagai, Hitoshi'
'Akita-Tanaka, Motoko'
'Inoue, Katsuya'
'Kurmoo, Mohamedally'
_publ_section_title
;
 Hydrothermal synthesis and characterization of a new 3D-network
 containing the versatile cis,cis-cyclohexane-1,3,5-tricarboxylate
;
_journal_issue                   9
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              2146
_journal_paper_doi               10.1039/b101531l
_journal_volume                  11
_journal_year                    2001
_chemical_formula_sum            'C18 H36 Co3 O21'
_chemical_formula_weight         765.27
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Tue Feb 28 20:15:17 2001'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                107.595(3)
_cell_angle_beta                 92.877(3)
_cell_angle_gamma                110.248(3)
_cell_formula_units_Z            1
_cell_length_a                   7.799(2)
_cell_length_b                   9.212(2)
_cell_length_c                   10.784(2)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    288.2
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     682.4(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_ambient_temperature      288.2
_diffrn_measurement_device       'Bruker SMART APEX'
_diffrn_orient_matrix_UB_11      0.00000
_diffrn_orient_matrix_UB_12      0.00000
_diffrn_orient_matrix_UB_13      0.00000
_diffrn_orient_matrix_UB_21      0.00000
_diffrn_orient_matrix_UB_22      0.00000
_diffrn_orient_matrix_UB_23      0.00000
_diffrn_orient_matrix_UB_31      0.00000
_diffrn_orient_matrix_UB_32      0.00000
_diffrn_orient_matrix_UB_33      0.00000
_diffrn_radiation_detector       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  1.67
_diffrn_reflns_av_sigmaI/netI    0.024
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            4053
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         0.00
_diffrn_reflns_theta_min         0.00
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.897
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.862
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             393.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.16
_refine_diff_density_min         -0.71
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.143
_refine_ls_goodness_of_fit_obs   0.148
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     196
_refine_ls_number_reflns         2677
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0416
_refine_ls_R_factor_obs          0.0392
_refine_ls_shift/esd_max         0.0170
_refine_ls_shift/esd_mean        0.0010
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_all         0.0512
_refine_ls_wR_factor_obs         0.0505
_reflns_number_observed          2677
_reflns_number_total             2934
_reflns_observed_criterion       >3.0sigma(I)
_cod_data_source_file            b101531l.txt
_cod_data_source_block           Co135-cyclo
_cod_original_cell_volume        682.4(2)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C18 H36 Co3 O21 '
_cod_database_code               7204103
loop_
_symmetry_equiv_pos_as_xyz
'   +x,   +y,   +z'
'   -x,   -y,   -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
_atom_site_occupancy
_atom_site_refinement_flags
Co1 1.0000 0.0000 1.0000 0.0136(2) Uani d . 0.50 S
Co2 0.65152(7) 0.14084(7) 1.12951(5) 0.0144(1) Uani d . 1.00 .
O1 1.1041(4) -0.0928(4) 1.1295(3) 0.0234(8) Uani d . 1.00 .
O2 0.6156(4) 0.0470(4) 0.9238(3) 0.0210(7) Uani d . 1.00 .
O3 0.8695(6) 0.1139(6) 1.3835(3) 0.058(1) Uani d . 1.00 .
O4 0.6481(4) 0.1911(4) 1.3254(3) 0.0261(8) Uani d . 1.00 .
O5 1.1461(4) 0.2378(3) 1.1215(3) 0.0229(7) Uani d . 1.00 .
O6 0.9068(4) 0.3180(4) 1.1533(3) 0.0250(8) Uani d . 1.00 .
O7 0.7861(4) -0.0270(3) 1.1285(3) 0.0209(7) Uani d . 1.00 .
O8 0.5251(4) 0.3050(4) 1.1166(3) 0.0308(9) Uani d . 1.00 .
O9 0.2823(6) 0.3467(6) 0.8296(5) 0.061(1) Uani d . 1.00 .
O10 0.2215(8) 0.2405(8) 0.5591(6) 0.093(2) Uani d . 1.00 .
O11 0.478(2) 0.420(2) 0.430(1) 0.085(4) Uani d . 0.50 .
C1 1.3016(5) -0.1880(5) 1.2313(4) 0.0158(9) Uani d . 1.00 .
C2 1.2491(6) -0.1314(5) 1.3672(4) 0.0198(10) Uani d . 1.00 .
C3 1.2817(6) -0.2332(5) 1.4480(4) 0.0188(9) Uani d . 1.00 .
C4 1.1577(6) -0.4157(5) 1.3790(4) 0.0195(9) Uani d . 1.00 .
C5 1.2083(5) -0.4785(5) 1.2424(4) 0.0164(9) Uani d . 1.00 .
C6 1.1921(6) -0.3739(5) 1.1591(4) 0.0191(9) Uani d . 1.00 .
C7 1.2599(5) -0.1006(5) 1.1419(4) 0.0157(9) Uani d . 1.00 .
C8 0.7490(6) 0.1741(5) 1.4106(4) 0.022(1) Uani d . 1.00 .
C9 1.0768(5) 0.3443(5) 1.1681(4) 0.0172(9) Uani d . 1.00 .
H1 1.3235 -0.0184 1.4117 0.0238 Uiso calc . 1.00 .
H2 1.1220 -0.1458 1.3570 0.0238 Uiso calc . 1.00 .
H3 1.1765 -0.4780 1.4307 0.0233 Uiso calc . 1.00 .
H4 1.0313 -0.4281 1.3689 0.0233 Uiso calc . 1.00 .
H5 1.0649 -0.3922 1.1378 0.0230 Uiso calc . 1.00 .
H6 1.2387 -0.4073 1.0800 0.0230 Uiso calc . 1.00 .
H7 0.8434 -0.0036 1.2159 0.0251 Uiso calc . 1.00 .
H8 0.6967 -0.1366 1.0958 0.0251 Uiso calc . 1.00 .
H9 0.5674 0.3985 1.1959 0.0375 Uiso calc . 1.00 .
H10 0.5585 0.3413 1.0440 0.0375 Uiso calc . 1.00 .
loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O 0 21 0.011 0.006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
C 0 18 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H 0 36 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
Co 0 3 0.349 0.972
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O(2) Co(1) O(3) 93.2(1) 1_555 1_555 1_555 yes
O(2) Co(1) O(4) 91.0(1) 1_555 1_555 1_555 yes
O(2) Co(1) O(5) 94.9(1) 1_555 1_555 1_555 yes
O(2) Co(1) O(8) 169.2(1) 1_555 1_555 1_555 yes
O(2) Co(1) O(8) 93.2(1) 1_555 1_555 2_657 yes
O(2) Co(1) C(1) 168.3(1) 1_555 1_555 2_757 yes
O(2) Co(1) C(8) 19.1(1) 1_555 1_555 1_555 yes
O(2) Co(1) H(7) 72.21(9) 1_555 1_555 1_555 no
O(2) Co(1) H(8) 94.27(9) 1_555 1_555 1_555 no
O(2) Co(1) H(9) 76.63(9) 1_555 1_555 1_555 no
O(2) Co(1) H(10) 111.46(9) 1_555 1_555 1_555 no
O(3) Co(1) O(4) 175.7(1) 1_555 1_555 1_555 yes
O(3) Co(1) O(5) 90.5(1) 1_555 1_555 1_555 yes
O(3) Co(1) O(8) 90.1(1) 1_555 1_555 1_555 yes
O(3) Co(1) O(8) 87.9(1) 1_555 1_555 2_657 yes
O(3) Co(1) C(1) 91.3(1) 1_555 1_555 2_757 yes
O(3) Co(1) C(8) 110.7(1) 1_555 1_555 1_555 yes
O(3) Co(1) H(7) 163.35(10) 1_555 1_555 1_555 no
O(3) Co(1) H(8) 159.93(9) 1_555 1_555 1_555 no
O(3) Co(1) H(9) 20.39(9) 1_555 1_555 1_555 no
O(3) Co(1) H(10) 20.36(9) 1_555 1_555 1_555 no
O(4) Co(1) O(5) 88.1(1) 1_555 1_555 1_555 yes
O(4) Co(1) O(8) 86.1(1) 1_555 1_555 1_555 yes
O(4) Co(1) O(8) 93.0(1) 1_555 1_555 2_657 yes
O(4) Co(1) C(1) 84.5(1) 1_555 1_555 2_757 yes
O(4) Co(1) C(8) 73.3(1) 1_555 1_555 1_555 yes
O(4) Co(1) H(7) 20.00(8) 1_555 1_555 1_555 no
O(4) Co(1) H(8) 19.99(8) 1_555 1_555 1_555 no
O(4) Co(1) H(9) 162.07(8) 1_555 1_555 1_555 no
O(4) Co(1) H(10) 155.40(8) 1_555 1_555 1_555 no
O(5) Co(1) O(8) 95.4(1) 1_555 1_555 1_555 yes
O(5) Co(1) O(8) 171.9(1) 1_555 1_555 2_657 yes
O(5) Co(1) C(1) 74.3(1) 1_555 1_555 2_757 yes
O(5) Co(1) C(8) 87.0(1) 1_555 1_555 1_555 yes
O(5) Co(1) H(7) 83.00(9) 1_555 1_555 1_555 no
O(5) Co(1) H(8) 107.37(9) 1_555 1_555 1_555 no
O(5) Co(1) H(9) 80.30(9) 1_555 1_555 1_555 no
O(5) Co(1) H(10) 80.32(9) 1_555 1_555 1_555 no
O(8) Co(1) O(8) 76.7(1) 1_555 1_555 2_657 yes
O(8) Co(1) C(1) 21.1(1) 1_555 1_555 2_757 yes
O(8) Co(1) C(8) 159.1(1) 1_555 1_555 1_555 yes
O(8) Co(1) H(7) 105.75(9) 1_555 1_555 1_555 no
O(8) Co(1) H(8) 79.47(8) 1_555 1_555 1_555 no
O(8) Co(1) H(9) 108.45(9) 1_555 1_555 1_555 no
O(8) Co(1) H(10) 73.66(8) 1_555 1_555 1_555 no
O(8) Co(1) C(1) 97.8(1) 2_657 1_555 2_757 yes
O(8) Co(1) C(8) 101.0(1) 2_657 1_555 1_555 yes
O(8) Co(1) H(7) 100.61(8) 2_657 1_555 1_555 no
O(8) Co(1) H(8) 73.14(8) 2_657 1_555 1_555 no
O(8) Co(1) H(9) 100.47(9) 2_657 1_555 1_555 no
O(8) Co(1) H(10) 95.64(8) 2_657 1_555 1_555 no
C(1) Co(1) C(8) 151.4(1) 2_757 1_555 1_555 yes
C(1) Co(1) H(7) 101.62(8) 2_757 1_555 1_555 no
C(1) Co(1) H(8) 85.07(7) 2_757 1_555 1_555 no
C(1) Co(1) H(9) 105.19(7) 2_757 1_555 1_555 no
C(1) Co(1) H(10) 71.59(7) 2_757 1_555 1_555 no
C(8) Co(1) H(7) 53.84(8) 1_555 1_555 1_555 no
C(8) Co(1) H(8) 80.02(8) 1_555 1_555 1_555 no
C(8) Co(1) H(9) 92.42(8) 1_555 1_555 1_555 no
C(8) Co(1) H(10) 127.09(8) 1_555 1_555 1_555 no
H(7) Co(1) H(8) 34.446(7) 1_555 1_555 1_555 no
H(7) Co(1) H(9) 143.04(2) 1_555 1_555 1_555 no
H(7) Co(1) H(10) 163.16(2) 1_555 1_555 1_555 no
H(8) Co(1) H(9) 168.76(2) 1_555 1_555 1_555 no
H(8) Co(1) H(10) 152.68(2) 1_555 1_555 1_555 no
H(9) Co(1) H(10) 34.936(7) 1_555 1_555 1_555 no
O(4) Co(2) O(4) 180.0 1_555 1_555 2_757 yes
O(4) Co(2) O(6) 90.7(1) 1_555 1_555 1_555 yes
O(4) Co(2) O(6) 89.3(1) 1_555 1_555 2_757 yes
O(4) Co(2) O(7) 79.0(1) 1_555 1_555 1_555 yes
O(4) Co(2) O(7) 101.0(1) 1_555 1_555 2_757 yes
O(4) Co(2) C(1) 97.7(1) 1_555 1_555 1_555 yes
O(4) Co(2) C(1) 82.3(1) 1_555 1_555 2_757 yes
O(4) Co(2) C(9) 76.6(1) 1_555 1_555 1_555 yes
O(4) Co(2) C(9) 103.4(1) 1_555 1_555 2_757 yes
O(4) Co(2) H(7) 19.48(7) 1_555 1_555 1_555 no
O(4) Co(2) H(7) 160.52(7) 1_555 1_555 2_757 no
O(4) Co(2) H(8) 19.48(7) 1_555 1_555 1_555 no
O(4) Co(2) H(8) 160.52(7) 1_555 1_555 2_757 no
O(4) Co(2) O(6) 89.3(1) 2_757 1_555 1_555 yes
O(4) Co(2) O(6) 90.7(1) 2_757 1_555 2_757 yes
O(4) Co(2) O(7) 101.0(1) 2_757 1_555 1_555 yes
O(4) Co(2) O(7) 79.0(1) 2_757 1_555 2_757 yes
O(4) Co(2) C(1) 82.3(1) 2_757 1_555 1_555 yes
O(4) Co(2) C(1) 97.7(1) 2_757 1_555 2_757 yes
O(4) Co(2) C(9) 103.4(1) 2_757 1_555 1_555 yes
O(4) Co(2) C(9) 76.6(1) 2_757 1_555 2_757 yes
O(4) Co(2) H(7) 160.52(7) 2_757 1_555 1_555 no
O(4) Co(2) H(7) 19.48(7) 2_757 1_555 2_757 no
O(4) Co(2) H(8) 160.52(7) 2_757 1_555 1_555 no
O(4) Co(2) H(8) 19.48(7) 2_757 1_555 2_757 no
O(6) Co(2) O(6) 180.0 1_555 1_555 2_757 yes
O(6) Co(2) O(7) 91.5(1) 1_555 1_555 1_555 yes
O(6) Co(2) O(7) 88.5(1) 1_555 1_555 2_757 yes
O(6) Co(2) C(1) 87.7(1) 1_555 1_555 1_555 yes
O(6) Co(2) C(1) 92.3(1) 1_555 1_555 2_757 yes
O(6) Co(2) C(9) 20.4(1) 1_555 1_555 1_555 yes
O(6) Co(2) C(9) 159.6(1) 1_555 1_555 2_757 yes
O(6) Co(2) H(7) 80.14(9) 1_555 1_555 1_555 no
O(6) Co(2) H(7) 99.86(9) 1_555 1_555 2_757 no
O(6) Co(2) H(8) 110.16(8) 1_555 1_555 1_555 no
O(6) Co(2) H(8) 69.84(8) 1_555 1_555 2_757 no
O(6) Co(2) O(7) 88.5(1) 2_757 1_555 1_555 yes
O(6) Co(2) O(7) 91.5(1) 2_757 1_555 2_757 yes
O(6) Co(2) C(1) 92.3(1) 2_757 1_555 1_555 yes
O(6) Co(2) C(1) 87.7(1) 2_757 1_555 2_757 yes
O(6) Co(2) C(9) 159.6(1) 2_757 1_555 1_555 yes
O(6) Co(2) C(9) 20.4(1) 2_757 1_555 2_757 yes
O(6) Co(2) H(7) 99.86(9) 2_757 1_555 1_555 no
O(6) Co(2) H(7) 80.14(9) 2_757 1_555 2_757 no
O(6) Co(2) H(8) 69.84(8) 2_757 1_555 1_555 no
O(6) Co(2) H(8) 110.16(8) 2_757 1_555 2_757 no
O(7) Co(2) O(7) 180.0 1_555 1_555 2_757 yes
O(7) Co(2) C(1) 19.1(1) 1_555 1_555 1_555 yes
O(7) Co(2) C(1) 160.9(1) 1_555 1_555 2_757 yes
O(7) Co(2) C(9) 102.9(1) 1_555 1_555 1_555 yes
O(7) Co(2) C(9) 77.1(1) 1_555 1_555 2_757 yes
O(7) Co(2) H(7) 63.28(8) 1_555 1_555 1_555 no
O(7) Co(2) H(7) 116.72(8) 1_555 1_555 2_757 no
O(7) Co(2) H(8) 78.01(8) 1_555 1_555 1_555 no
O(7) Co(2) H(8) 101.99(8) 1_555 1_555 2_757 no
O(7) Co(2) C(1) 160.9(1) 2_757 1_555 1_555 yes
O(7) Co(2) C(1) 19.1(1) 2_757 1_555 2_757 yes
O(7) Co(2) C(9) 77.1(1) 2_757 1_555 1_555 yes
O(7) Co(2) C(9) 102.9(1) 2_757 1_555 2_757 yes
O(7) Co(2) H(7) 116.72(8) 2_757 1_555 1_555 no
O(7) Co(2) H(7) 63.28(8) 2_757 1_555 2_757 no
O(7) Co(2) H(8) 101.99(8) 2_757 1_555 1_555 no
O(7) Co(2) H(8) 78.01(8) 2_757 1_555 2_757 no
C(1) Co(2) C(1) 180.0 1_555 1_555 2_757 yes
C(1) Co(2) C(9) 104.03(10) 1_555 1_555 1_555 yes
C(1) Co(2) C(9) 75.97(10) 1_555 1_555 2_757 yes
C(1) Co(2) H(7) 81.00(7) 1_555 1_555 1_555 no
C(1) Co(2) H(7) 99.00(7) 1_555 1_555 2_757 no
C(1) Co(2) H(8) 96.88(7) 1_555 1_555 1_555 no
C(1) Co(2) H(8) 83.12(7) 1_555 1_555 2_757 no
C(1) Co(2) C(9) 75.97(10) 2_757 1_555 1_555 yes
C(1) Co(2) C(9) 104.03(10) 2_757 1_555 2_757 yes
C(1) Co(2) H(7) 99.00(7) 2_757 1_555 1_555 no
C(1) Co(2) H(7) 81.00(7) 2_757 1_555 2_757 no
C(1) Co(2) H(8) 83.12(7) 2_757 1_555 1_555 no
C(1) Co(2) H(8) 96.88(7) 2_757 1_555 2_757 no
C(9) Co(2) C(9) 180.0 1_555 1_555 2_757 yes
C(9) Co(2) H(7) 71.28(7) 1_555 1_555 1_555 no
C(9) Co(2) H(7) 108.72(7) 1_555 1_555 2_757 no
C(9) Co(2) H(8) 95.71(7) 1_555 1_555 1_555 no
C(9) Co(2) H(8) 84.29(7) 1_555 1_555 2_757 no
C(9) Co(2) H(7) 108.72(7) 2_757 1_555 1_555 no
C(9) Co(2) H(7) 71.28(7) 2_757 1_555 2_757 no
C(9) Co(2) H(8) 84.29(7) 2_757 1_555 1_555 no
C(9) Co(2) H(8) 95.71(7) 2_757 1_555 2_757 no
H(7) Co(2) H(7) 180.0 1_555 1_555 2_757 no
H(7) Co(2) H(8) 33.5634(8) 1_555 1_555 1_555 no
H(7) Co(2) H(8) 146.4366(8) 1_555 1_555 2_757 no
H(7) Co(2) H(8) 146.4366(8) 2_757 1_555 1_555 no
H(7) Co(2) H(8) 33.5634(8) 2_757 1_555 2_757 no
H(8) Co(2) H(8) 180.0 1_555 1_555 2_757 no
O(2) O(1) O(4) 76.0(1) 1_555 1_555 1_555 yes
O(2) O(1) O(10) 141.4(3) 1_555 1_555 1_656 yes
O(2) O(1) C(3) 89.9(2) 1_555 1_555 2_758 yes
O(2) O(1) C(4) 61.2(1) 1_555 1_555 2_758 yes
O(2) O(1) C(8) 28.4(2) 1_555 1_555 1_555 yes
O(2) O(1) H(1) 90.6(2) 1_555 1_555 2_758 no
O(2) O(1) H(2) 107.4(2) 1_555 1_555 2_758 no
O(2) O(1) H(7) 88.0(2) 1_555 1_555 1_555 no
O(4) O(1) O(10) 130.2(2) 1_555 1_555 1_656 yes
O(4) O(1) C(3) 146.9(2) 1_555 1_555 2_758 yes
O(4) O(1) C(4) 134.9(2) 1_555 1_555 2_758 yes
O(4) O(1) C(8) 103.4(3) 1_555 1_555 1_555 yes
O(4) O(1) H(1) 129.6(2) 1_555 1_555 2_758 no
O(4) O(1) H(2) 158.7(2) 1_555 1_555 2_758 no
O(4) O(1) H(7) 12.15(7) 1_555 1_555 1_555 no
O(10) O(1) C(3) 78.6(2) 1_656 1_555 2_758 yes
O(10) O(1) C(4) 94.0(2) 1_656 1_555 2_758 yes
O(10) O(1) C(8) 121.5(3) 1_656 1_555 1_555 yes
O(10) O(1) H(1) 89.8(2) 1_656 1_555 2_758 no
O(10) O(1) H(2) 59.7(1) 1_656 1_555 2_758 no
O(10) O(1) H(7) 120.7(2) 1_656 1_555 1_555 no
C(3) O(1) C(4) 32.3(1) 2_758 1_555 2_758 yes
C(3) O(1) C(8) 62.6(3) 2_758 1_555 1_555 yes
C(3) O(1) H(1) 18.88(8) 2_758 1_555 2_758 no
C(3) O(1) H(2) 19.36(9) 2_758 1_555 2_758 no
C(3) O(1) H(7) 147.8(3) 2_758 1_555 1_555 no
C(4) O(1) C(8) 32.9(2) 2_758 1_555 1_555 yes
C(4) O(1) H(1) 44.0(1) 2_758 1_555 2_758 no
C(4) O(1) H(2) 46.7(1) 2_758 1_555 2_758 no
C(4) O(1) H(7) 145.3(2) 2_758 1_555 1_555 no
C(8) O(1) H(1) 67.3(3) 1_555 1_555 2_758 no
C(8) O(1) H(2) 79.2(2) 1_555 1_555 2_758 no
C(8) O(1) H(7) 115.0(3) 1_555 1_555 1_555 no
H(1) O(1) H(2) 31.70(5) 2_758 1_555 2_758 no
H(1) O(1) H(7) 128.9(3) 2_758 1_555 1_555 no
H(2) O(1) H(7) 152.1(3) 2_758 1_555 1_555 no
Co(1) O(2) O(1) 100.9(2) 1_555 1_555 1_555 yes
Co(1) O(2) O(3) 44.42(9) 1_555 1_555 1_555 yes
Co(1) O(2) O(4) 46.16(8) 1_555 1_555 1_555 yes
Co(1) O(2) O(5) 42.70(8) 1_555 1_555 1_555 yes
Co(1) O(2) O(8) 44.52(8) 1_555 1_555 2_657 yes
Co(1) O(2) O(11) 113.1(2) 1_555 1_555 1_556 yes
Co(1) O(2) C(4) 164.2(2) 1_555 1_555 2_758 yes
Co(1) O(2) C(8) 129.1(3) 1_555 1_555 1_555 yes
Co(1) O(2) H(1) 118.6(1) 1_555 1_555 1_455 no
Co(1) O(2) H(3) 136.7(1) 1_555 1_555 2_758 no
Co(1) O(2) H(7) 63.85(8) 1_555 1_555 1_555 no
Co(1) O(2) H(9) 60.41(8) 1_555 1_555 1_555 no
O(1) O(2) O(3) 140.7(2) 1_555 1_555 1_555 yes
O(1) O(2) O(4) 57.9(1) 1_555 1_555 1_555 yes
O(1) O(2) O(5) 83.4(2) 1_555 1_555 1_555 yes
O(1) O(2) O(8) 114.3(2) 1_555 1_555 2_657 yes
O(1) O(2) O(11) 140.7(3) 1_555 1_555 1_556 yes
O(1) O(2) C(4) 63.5(2) 1_555 1_555 2_758 yes
O(1) O(2) C(8) 28.2(2) 1_555 1_555 1_555 yes
O(1) O(2) H(1) 101.5(2) 1_555 1_555 1_455 no
O(1) O(2) H(3) 84.0(1) 1_555 1_555 2_758 no
O(1) O(2) H(7) 39.3(1) 1_555 1_555 1_555 no
O(1) O(2) H(9) 143.5(2) 1_555 1_555 1_555 no
O(3) O(2) O(4) 90.6(1) 1_555 1_555 1_555 yes
O(3) O(2) O(5) 58.8(1) 1_555 1_555 1_555 yes
O(3) O(2) O(8) 58.27(10) 1_555 1_555 2_657 yes
O(3) O(2) O(11) 68.7(2) 1_555 1_555 1_556 yes
O(3) O(2) C(4) 148.3(2) 1_555 1_555 2_758 yes
O(3) O(2) C(8) 161.8(3) 1_555 1_555 1_555 yes
O(3) O(2) H(1) 111.3(1) 1_555 1_555 1_455 no
O(3) O(2) H(3) 108.7(1) 1_555 1_555 2_758 no
O(3) O(2) H(7) 107.9(1) 1_555 1_555 1_555 no
O(3) O(2) H(9) 18.55(7) 1_555 1_555 1_555 no
O(4) O(2) O(5) 58.33(10) 1_555 1_555 1_555 yes
O(4) O(2) O(8) 62.17(10) 1_555 1_555 2_657 yes
O(4) O(2) O(11) 159.3(2) 1_555 1_555 1_556 yes
O(4) O(2) C(4) 119.7(2) 1_555 1_555 2_758 yes
O(4) O(2) C(8) 85.3(2) 1_555 1_555 1_555 yes
O(4) O(2) H(1) 108.7(1) 1_555 1_555 1_455 no
O(4) O(2) H(3) 134.5(1) 1_555 1_555 2_758 no
O(4) O(2) H(7) 18.60(6) 1_555 1_555 1_555 no
O(4) O(2) H(9) 105.6(1) 1_555 1_555 1_555 no
O(5) O(2) O(8) 87.2(1) 1_555 1_555 2_657 yes
O(5) O(2) O(11) 108.5(3) 1_555 1_555 1_556 yes
O(5) O(2) C(4) 127.7(2) 1_555 1_555 2_758 yes
O(5) O(2) C(8) 104.5(3) 1_555 1_555 1_555 yes
O(5) O(2) H(1) 161.2(1) 1_555 1_555 1_455 no
O(5) O(2) H(3) 96.6(1) 1_555 1_555 2_758 no
O(5) O(2) H(7) 65.25(9) 1_555 1_555 1_555 no
O(5) O(2) H(9) 61.49(8) 1_555 1_555 1_555 no
O(8) O(2) O(11) 103.8(3) 2_657 1_555 1_556 yes
O(8) O(2) C(4) 142.1(2) 2_657 1_555 2_758 yes
O(8) O(2) C(8) 132.9(3) 2_657 1_555 1_555 yes
O(8) O(2) H(1) 74.19(9) 2_657 1_555 1_455 no
O(8) O(2) H(3) 161.6(1) 2_657 1_555 2_758 no
O(8) O(2) H(7) 78.26(10) 2_657 1_555 1_555 no
O(8) O(2) H(9) 75.76(9) 2_657 1_555 1_555 no
O(11) O(2) C(4) 80.8(2) 1_556 1_555 2_758 yes
O(11) O(2) C(8) 114.6(3) 1_556 1_555 1_555 yes
O(11) O(2) H(1) 79.4(3) 1_556 1_555 1_455 no
O(11) O(2) H(3) 58.0(3) 1_556 1_555 2_758 no
O(11) O(2) H(7) 173.5(3) 1_556 1_555 1_555 no
O(11) O(2) H(9) 54.4(2) 1_556 1_555 1_555 no
C(4) O(2) C(8) 35.3(2) 2_758 1_555 1_555 yes
C(4) O(2) H(1) 69.7(1) 2_758 1_555 1_455 no
C(4) O(2) H(3) 43.9(1) 2_758 1_555 2_758 no
C(4) O(2) H(7) 101.5(1) 2_758 1_555 1_555 no
C(4) O(2) H(9) 130.5(2) 2_758 1_555 1_555 no
C(8) O(2) H(1) 86.8(3) 1_555 1_555 1_455 no
C(8) O(2) H(3) 63.5(2) 1_555 1_555 2_758 no
C(8) O(2) H(7) 66.7(2) 1_555 1_555 1_555 no
C(8) O(2) H(9) 149.7(3) 1_555 1_555 1_555 no
H(1) O(2) H(3) 101.94(9) 1_455 1_555 2_758 no
H(1) O(2) H(7) 107.2(1) 1_455 1_555 1_555 no
H(1) O(2) H(9) 114.91(10) 1_455 1_555 1_555 no
H(3) O(2) H(7) 119.7(1) 2_758 1_555 1_555 no
H(3) O(2) H(9) 90.26(9) 2_758 1_555 1_555 no
H(7) O(2) H(9) 121.0(1) 1_555 1_555 1_555 no
Co(1) O(3) O(2) 42.38(8) 1_555 1_555 1_555 yes
Co(1) O(3) O(5) 43.82(8) 1_555 1_555 1_555 yes
Co(1) O(3) O(6) 123.2(1) 1_555 1_555 1_455 yes
Co(1) O(3) O(8) 44.76(8) 1_555 1_555 1_555 yes
Co(1) O(3) O(8) 46.15(9) 1_555 1_555 2_657 yes
Co(1) O(3) O(9) 125.3(2) 1_555 1_555 2_667 yes
Co(1) O(3) H(6) 91.6(1) 1_555 1_555 2_757 no
Co(1) O(3) H(8) 100.0(1) 1_555 1_555 2_657 no
Co(1) O(3) H(9) 109.5(2) 1_555 1_555 1_555 no
Co(1) O(3) H(10) 109.6(2) 1_555 1_555 1_555 no
O(2) O(3) O(5) 60.4(1) 1_555 1_555 1_555 yes
O(2) O(3) O(6) 104.9(1) 1_555 1_555 1_455 yes
O(2) O(3) O(8) 86.7(1) 1_555 1_555 1_555 yes
O(2) O(3) O(8) 60.9(1) 1_555 1_555 2_657 yes
O(2) O(3) O(9) 112.7(2) 1_555 1_555 2_667 yes
O(2) O(3) H(6) 123.8(1) 1_555 1_555 2_757 no
O(2) O(3) H(8) 128.5(1) 1_555 1_555 2_657 no
O(2) O(3) H(9) 74.3(2) 1_555 1_555 1_555 no
O(2) O(3) H(10) 145.1(2) 1_555 1_555 1_555 no
O(5) O(3) O(6) 164.8(2) 1_555 1_555 1_455 yes
O(5) O(3) O(8) 62.2(1) 1_555 1_555 1_555 yes
O(5) O(3) O(8) 89.7(1) 1_555 1_555 2_657 yes
O(5) O(3) O(9) 81.9(1) 1_555 1_555 2_667 yes
O(5) O(3) H(6) 63.63(9) 1_555 1_555 2_757 no
O(5) O(3) H(8) 122.3(1) 1_555 1_555 2_657 no
O(5) O(3) H(9) 84.8(2) 1_555 1_555 1_555 no
O(5) O(3) H(10) 84.9(2) 1_555 1_555 1_555 no
O(6) O(3) O(8) 116.1(1) 1_455 1_555 1_555 yes
O(6) O(3) O(8) 78.9(1) 1_455 1_555 2_657 yes
O(6) O(3) O(9) 109.1(1) 1_455 1_555 2_667 yes
O(6) O(3) H(6) 130.4(1) 1_455 1_555 2_757 no
O(6) O(3) H(8) 62.36(9) 1_455 1_555 2_657 no
O(6) O(3) H(9) 95.1(2) 1_455 1_555 1_555 no
O(6) O(3) H(10) 109.3(2) 1_455 1_555 1_555 no
O(8) O(3) O(8) 52.5(1) 1_555 1_555 2_657 yes
O(8) O(3) O(9) 123.7(2) 1_555 1_555 2_667 yes
O(8) O(3) H(6) 62.91(9) 1_555 1_555 2_757 no
O(8) O(3) H(8) 62.12(9) 1_555 1_555 2_657 no
O(8) O(3) H(9) 147.0(2) 1_555 1_555 1_555 no
O(8) O(3) H(10) 72.5(2) 1_555 1_555 1_555 no
O(8) O(3) O(9) 171.4(2) 2_657 1_555 2_667 yes
O(8) O(3) H(6) 115.1(1) 2_657 1_555 2_757 no
O(8) O(3) H(8) 67.61(9) 2_657 1_555 2_657 no
O(8) O(3) H(9) 130.8(3) 2_657 1_555 1_555 no
O(8) O(3) H(10) 119.5(2) 2_657 1_555 1_555 no
O(9) O(3) H(6) 62.6(1) 2_667 1_555 2_757 no
O(9) O(3) H(8) 118.7(2) 2_667 1_555 2_657 no
O(9) O(3) H(9) 46.8(2) 2_667 1_555 1_555 no
O(9) O(3) H(10) 61.9(2) 2_667 1_555 1_555 no
H(6) O(3) H(8) 78.98(9) 2_757 1_555 2_657 no
H(6) O(3) H(9) 105.8(2) 2_757 1_555 1_555 no
H(6) O(3) H(10) 21.3(1) 2_757 1_555 1_555 no
H(8) O(3) H(9) 149.8(2) 2_657 1_555 1_555 no
H(8) O(3) H(10) 65.5(2) 2_657 1_555 1_555 no
H(9) O(3) H(10) 108.7(3) 1_555 1_555 1_555 no
Co(1) O(4) Co(2) 109.8(1) 1_555 1_555 1_555 yes
Co(1) O(4) O(1) 86.6(1) 1_555 1_555 1_555 yes
Co(1) O(4) O(2) 42.89(8) 1_555 1_555 1_555 yes
Co(1) O(4) O(5) 44.40(8) 1_555 1_555 1_555 yes
Co(1) O(4) O(6) 122.4(1) 1_555 1_555 2_757 yes
Co(1) O(4) O(7) 149.6(1) 1_555 1_555 1_555 yes
Co(1) O(4) O(8) 46.13(8) 1_555 1_555 1_555 yes
Co(1) O(4) O(9) 140.6(2) 1_555 1_555 2_657 yes
Co(1) O(4) H(7) 109.4(2) 1_555 1_555 1_555 no
Co(1) O(4) H(8) 109.4(2) 1_555 1_555 1_555 no
Co(2) O(4) O(1) 122.0(2) 1_555 1_555 1_555 yes
Co(2) O(4) O(2) 137.7(1) 1_555 1_555 1_555 yes
Co(2) O(4) O(5) 77.19(10) 1_555 1_555 1_555 yes
Co(2) O(4) O(6) 43.08(7) 1_555 1_555 2_757 yes
Co(2) O(4) O(7) 48.70(8) 1_555 1_555 1_555 yes
Co(2) O(4) O(8) 78.52(10) 1_555 1_555 1_555 yes
Co(2) O(4) O(9) 106.2(1) 1_555 1_555 2_657 yes
Co(2) O(4) H(7) 109.4(2) 1_555 1_555 1_555 no
Co(2) O(4) H(8) 109.4(2) 1_555 1_555 1_555 no
O(1) O(4) O(2) 46.1(1) 1_555 1_555 1_555 yes
O(1) O(4) O(5) 78.9(1) 1_555 1_555 1_555 yes
O(1) O(4) O(6) 149.3(1) 1_555 1_555 2_757 yes
O(1) O(4) O(7) 89.7(1) 1_555 1_555 1_555 yes
O(1) O(4) O(8) 132.3(1) 1_555 1_555 1_555 yes
O(1) O(4) O(9) 87.7(2) 1_555 1_555 2_657 yes
O(1) O(4) H(7) 23.0(1) 1_555 1_555 1_555 no
O(1) O(4) H(8) 116.6(2) 1_555 1_555 1_555 no
O(2) O(4) O(5) 61.1(1) 1_555 1_555 1_555 yes
O(2) O(4) O(6) 164.5(1) 1_555 1_555 2_757 yes
O(2) O(4) O(7) 134.1(1) 1_555 1_555 1_555 yes
O(2) O(4) O(8) 88.6(1) 1_555 1_555 1_555 yes
O(2) O(4) O(9) 112.6(1) 1_555 1_555 2_657 yes
O(2) O(4) H(7) 68.9(2) 1_555 1_555 1_555 no
O(2) O(4) H(8) 110.7(2) 1_555 1_555 1_555 no
O(5) O(4) O(6) 113.5(1) 1_555 1_555 2_757 yes
O(5) O(4) O(7) 105.3(1) 1_555 1_555 1_555 yes
O(5) O(4) O(8) 63.5(1) 1_555 1_555 1_555 yes
O(5) O(4) O(9) 165.7(2) 1_555 1_555 2_657 yes
O(5) O(4) H(7) 93.7(2) 1_555 1_555 1_555 no
O(5) O(4) H(8) 151.1(2) 1_555 1_555 1_555 no
O(6) O(4) O(7) 60.34(10) 2_757 1_555 1_555 yes
O(6) O(4) O(8) 76.4(1) 2_757 1_555 1_555 yes
O(6) O(4) O(9) 75.9(1) 2_757 1_555 2_657 yes
O(6) O(4) H(7) 126.6(2) 2_757 1_555 1_555 no
O(6) O(4) H(8) 66.4(2) 2_757 1_555 1_555 no
O(7) O(4) O(8) 126.5(1) 1_555 1_555 1_555 yes
O(7) O(4) O(9) 69.2(1) 1_555 1_555 2_657 yes
O(7) O(4) H(7) 68.7(2) 1_555 1_555 1_555 no
O(7) O(4) H(8) 99.2(2) 1_555 1_555 1_555 no
O(8) O(4) O(9) 130.6(2) 1_555 1_555 2_657 yes
O(8) O(4) H(7) 154.2(2) 1_555 1_555 1_555 no
O(8) O(4) H(8) 89.7(2) 1_555 1_555 1_555 no
O(9) O(4) H(7) 72.1(2) 2_657 1_555 1_555 no
O(9) O(4) H(8) 41.6(2) 2_657 1_555 1_555 no
H(7) O(4) H(8) 109.5(3) 1_555 1_555 1_555 no
Co(1) O(5) O(2) 42.44(8) 1_555 1_555 1_555 yes
Co(1) O(5) O(3) 45.68(9) 1_555 1_555 1_555 yes
Co(1) O(5) O(4) 47.55(8) 1_555 1_555 1_555 yes
Co(1) O(5) O(6) 117.6(2) 1_555 1_555 1_555 yes
Co(1) O(5) C(5) 133.8(2) 1_555 1_555 1_565 yes
Co(1) O(5) C(6) 163.7(2) 1_555 1_555 1_565 yes
Co(1) O(5) C(7) 160.0(2) 1_555 1_555 1_565 yes
Co(1) O(5) C(9) 142.6(3) 1_555 1_555 1_555 yes
Co(1) O(5) H(4) 119.7(1) 1_555 1_555 1_565 no
Co(1) O(5) H(5) 141.4(1) 1_555 1_555 1_565 no
Co(1) O(5) H(9) 57.87(7) 1_555 1_555 1_555 no
Co(1) O(5) H(10) 57.86(7) 1_555 1_555 1_555 no
O(2) O(5) O(3) 60.8(1) 1_555 1_555 1_555 yes
O(2) O(5) O(4) 60.58(10) 1_555 1_555 1_555 yes
O(2) O(5) O(6) 118.7(2) 1_555 1_555 1_555 yes
O(2) O(5) C(5) 91.6(1) 1_555 1_555 1_565 yes
O(2) O(5) C(6) 121.8(2) 1_555 1_555 1_565 yes
O(2) O(5) C(7) 139.0(1) 1_555 1_555 1_565 yes
O(2) O(5) C(9) 124.8(3) 1_555 1_555 1_555 yes
O(2) O(5) H(4) 80.3(1) 1_555 1_555 1_565 no
O(2) O(5) H(5) 132.7(1) 1_555 1_555 1_565 no
O(2) O(5) H(9) 57.63(8) 1_555 1_555 1_555 no
O(2) O(5) H(10) 79.16(9) 1_555 1_555 1_555 no
O(3) O(5) O(4) 93.2(1) 1_555 1_555 1_555 yes
O(3) O(5) O(6) 158.7(2) 1_555 1_555 1_555 yes
O(3) O(5) C(5) 115.7(1) 1_555 1_555 1_565 yes
O(3) O(5) C(6) 137.5(2) 1_555 1_555 1_565 yes
O(3) O(5) C(7) 114.6(1) 1_555 1_555 1_565 yes
O(3) O(5) C(9) 171.7(3) 1_555 1_555 1_555 yes
O(3) O(5) H(4) 96.9(1) 1_555 1_555 1_565 no
O(3) O(5) H(5) 96.1(1) 1_555 1_555 1_565 no
O(3) O(5) H(9) 18.44(7) 1_555 1_555 1_555 no
O(3) O(5) H(10) 18.42(7) 1_555 1_555 1_555 no
O(4) O(5) O(6) 71.0(1) 1_555 1_555 1_555 yes
O(4) O(5) C(5) 123.7(1) 1_555 1_555 1_565 yes
O(4) O(5) C(6) 126.4(2) 1_555 1_555 1_565 yes
O(4) O(5) C(7) 151.3(1) 1_555 1_555 1_565 yes
O(4) O(5) C(9) 95.1(2) 1_555 1_555 1_555 yes
O(4) O(5) H(4) 127.5(1) 1_555 1_555 1_565 no
O(4) O(5) H(5) 166.6(1) 1_555 1_555 1_565 no
O(4) O(5) H(9) 104.4(1) 1_555 1_555 1_555 no
O(4) O(5) H(10) 102.8(1) 1_555 1_555 1_555 no
O(6) O(5) C(5) 85.4(1) 1_555 1_555 1_565 yes
O(6) O(5) C(6) 62.8(1) 1_555 1_555 1_565 yes
O(6) O(5) C(7) 80.2(1) 1_555 1_555 1_565 yes
O(6) O(5) C(9) 27.5(2) 1_555 1_555 1_555 yes
O(6) O(5) H(4) 104.1(1) 1_555 1_555 1_565 no
O(6) O(5) H(5) 97.4(1) 1_555 1_555 1_565 no
O(6) O(5) H(9) 175.4(1) 1_555 1_555 1_555 no
O(6) O(5) H(10) 150.0(2) 1_555 1_555 1_555 no
C(5) O(5) C(6) 32.0(1) 1_565 1_555 1_565 yes
C(5) O(5) C(7) 51.6(1) 1_565 1_555 1_565 yes
C(5) O(5) C(9) 60.0(2) 1_565 1_555 1_555 yes
C(5) O(5) H(4) 18.94(8) 1_565 1_555 1_565 no
C(5) O(5) H(5) 60.11(10) 1_565 1_555 1_565 no
C(5) O(5) H(9) 97.3(1) 1_565 1_555 1_555 no
C(5) O(5) H(10) 119.9(1) 1_565 1_555 1_555 no
C(6) O(5) C(7) 31.6(1) 1_565 1_555 1_565 yes
C(6) O(5) C(9) 35.3(2) 1_565 1_555 1_555 yes
C(6) O(5) H(4) 48.7(1) 1_565 1_555 1_565 no
C(6) O(5) H(5) 48.5(1) 1_565 1_555 1_565 no
C(6) O(5) H(9) 121.1(1) 1_565 1_555 1_555 no
C(6) O(5) H(10) 130.8(1) 1_565 1_555 1_555 no
C(7) O(5) C(9) 57.0(2) 1_565 1_555 1_555 yes
C(7) O(5) H(4) 59.12(9) 1_565 1_555 1_565 no
C(7) O(5) H(5) 18.64(8) 1_565 1_555 1_565 no
C(7) O(5) H(9) 104.4(1) 1_565 1_555 1_555 no
C(7) O(5) H(10) 102.2(1) 1_565 1_555 1_555 no
C(9) O(5) H(4) 79.0(2) 1_555 1_555 1_565 no
C(9) O(5) H(5) 75.5(2) 1_555 1_555 1_565 no
C(9) O(5) H(9) 156.2(3) 1_555 1_555 1_555 no
C(9) O(5) H(10) 155.4(3) 1_555 1_555 1_555 no
H(4) O(5) H(5) 60.89(6) 1_565 1_555 1_565 no
H(4) O(5) H(9) 78.43(8) 1_565 1_555 1_555 no
H(4) O(5) H(10) 102.53(9) 1_565 1_555 1_555 no
H(5) O(5) H(9) 87.17(9) 1_565 1_555 1_555 no
H(5) O(5) H(10) 83.73(9) 1_565 1_555 1_555 no
H(9) O(5) H(10) 29.89(3) 1_555 1_555 1_555 no
Co(2) O(6) O(3) 107.9(1) 1_555 1_555 1_655 yes
Co(2) O(6) O(4) 47.64(8) 1_555 1_555 2_757 yes
Co(2) O(6) O(5) 98.1(1) 1_555 1_555 1_555 yes
Co(2) O(6) O(7) 44.96(8) 1_555 1_555 1_555 yes
Co(2) O(6) O(7) 46.55(8) 1_555 1_555 2_757 yes
Co(2) O(6) C(6) 158.6(2) 1_555 1_555 1_565 yes
Co(2) O(6) C(9) 125.3(3) 1_555 1_555 1_555 yes
Co(2) O(6) H(8) 65.98(8) 1_555 1_555 2_757 no
O(3) O(6) O(4) 67.3(1) 1_655 1_555 2_757 yes
O(3) O(6) O(5) 151.8(2) 1_655 1_555 1_555 yes
O(3) O(6) O(7) 88.3(1) 1_655 1_555 1_555 yes
O(3) O(6) O(7) 117.7(1) 1_655 1_555 2_757 yes
O(3) O(6) C(6) 91.6(1) 1_655 1_555 1_565 yes
O(3) O(6) C(9) 125.4(3) 1_655 1_555 1_555 yes
O(3) O(6) H(8) 53.30(9) 1_655 1_555 2_757 no
O(4) O(6) O(5) 128.6(2) 2_757 1_555 1_555 yes
O(4) O(6) O(7) 67.86(10) 2_757 1_555 1_555 yes
O(4) O(6) O(7) 55.53(10) 2_757 1_555 2_757 yes
O(4) O(6) C(6) 140.5(2) 2_757 1_555 1_565 yes
O(4) O(6) C(9) 144.2(3) 2_757 1_555 1_555 yes
O(4) O(6) H(8) 18.36(6) 2_757 1_555 2_757 no
O(5) O(6) O(7) 118.5(1) 1_555 1_555 1_555 yes
O(5) O(6) O(7) 73.1(1) 1_555 1_555 2_757 yes
O(5) O(6) C(6) 61.2(1) 1_555 1_555 1_565 yes
O(5) O(6) C(9) 27.2(2) 1_555 1_555 1_555 yes
O(5) O(6) H(8) 134.3(2) 1_555 1_555 2_757 no
O(7) O(6) O(7) 91.5(1) 1_555 1_555 2_757 yes
O(7) O(6) C(6) 147.8(2) 1_555 1_555 1_565 yes
O(7) O(6) C(9) 137.4(3) 1_555 1_555 1_555 yes
O(7) O(6) H(8) 81.29(9) 1_555 1_555 2_757 no
O(7) O(6) C(6) 116.7(2) 2_757 1_555 1_565 yes
O(7) O(6) C(9) 93.5(2) 2_757 1_555 1_555 yes
O(7) O(6) H(8) 65.15(9) 2_757 1_555 2_757 no
C(6) O(6) C(9) 34.0(2) 1_565 1_555 1_555 yes
C(6) O(6) H(8) 123.5(1) 1_565 1_555 2_757 no
C(9) O(6) H(8) 138.2(3) 1_555 1_555 2_757 no
Co(2) O(7) O(4) 52.34(8) 1_555 1_555 1_555 yes
Co(2) O(7) O(6) 43.49(8) 1_555 1_555 1_555 yes
Co(2) O(7) O(6) 45.00(8) 1_555 1_555 2_757 yes
Co(2) O(7) O(8) 98.4(1) 1_555 1_555 2_757 yes
Co(2) O(7) C(1) 127.3(3) 1_555 1_555 1_555 yes
Co(2) O(7) C(2) 160.6(2) 1_555 1_555 1_555 yes
Co(2) O(7) C(3) 162.8(2) 1_555 1_555 1_555 yes
Co(2) O(7) C(7) 146.5(2) 1_555 1_555 1_555 yes
Co(2) O(7) H(2) 150.8(1) 1_555 1_555 1_555 no
Co(2) O(7) H(5) 136.6(1) 1_555 1_555 1_555 no
Co(2) O(7) H(7) 69.51(8) 1_555 1_555 1_555 no
O(4) O(7) O(6) 63.9(1) 1_555 1_555 1_555 yes
O(4) O(7) O(6) 64.1(1) 1_555 1_555 2_757 yes
O(4) O(7) O(8) 148.8(2) 1_555 1_555 2_757 yes
O(4) O(7) C(1) 171.3(3) 1_555 1_555 1_555 yes
O(4) O(7) C(2) 147.1(2) 1_555 1_555 1_555 yes
O(4) O(7) C(3) 117.8(1) 1_555 1_555 1_555 yes
O(4) O(7) C(7) 133.5(1) 1_555 1_555 1_555 yes
O(4) O(7) H(2) 100.0(1) 1_555 1_555 1_555 no
O(4) O(7) H(5) 115.8(1) 1_555 1_555 1_555 no
O(4) O(7) H(7) 20.20(6) 1_555 1_555 1_555 no
O(6) O(7) O(6) 88.5(1) 1_555 1_555 2_757 yes
O(6) O(7) O(8) 87.8(1) 1_555 1_555 2_757 yes
O(6) O(7) C(1) 109.3(2) 1_555 1_555 1_555 yes
O(6) O(7) C(2) 132.9(2) 1_555 1_555 1_555 yes
O(6) O(7) C(3) 121.2(1) 1_555 1_555 1_555 yes
O(6) O(7) C(7) 161.9(1) 1_555 1_555 1_555 yes
O(6) O(7) H(2) 121.0(1) 1_555 1_555 1_555 no
O(6) O(7) H(5) 179.7(1) 1_555 1_555 1_555 no
O(6) O(7) H(7) 67.28(9) 1_555 1_555 1_555 no
O(6) O(7) O(8) 104.6(1) 2_757 1_555 2_757 yes
O(6) O(7) C(1) 122.7(2) 2_757 1_555 1_555 yes
O(6) O(7) C(2) 132.2(2) 2_757 1_555 1_555 yes
O(6) O(7) C(3) 148.9(2) 2_757 1_555 1_555 yes
O(6) O(7) C(7) 103.6(1) 2_757 1_555 1_555 yes
O(6) O(7) H(2) 137.7(1) 2_757 1_555 1_555 no
O(6) O(7) H(5) 91.6(1) 2_757 1_555 1_555 no
O(6) O(7) H(7) 83.59(10) 2_757 1_555 1_555 no
O(8) O(7) C(1) 28.9(2) 2_757 1_555 1_555 yes
O(8) O(7) C(2) 62.6(1) 2_757 1_555 1_555 yes
O(8) O(7) C(3) 87.2(1) 2_757 1_555 1_555 yes
O(8) O(7) C(7) 76.3(1) 2_757 1_555 1_555 yes
O(8) O(7) H(2) 106.1(1) 2_757 1_555 1_555 no
O(8) O(7) H(5) 92.5(1) 2_757 1_555 1_555 no
O(8) O(7) H(7) 153.7(2) 2_757 1_555 1_555 no
C(1) O(7) C(2) 33.7(2) 1_555 1_555 1_555 yes
C(1) O(7) C(3) 59.8(2) 1_555 1_555 1_555 yes
C(1) O(7) C(7) 52.8(2) 1_555 1_555 1_555 yes
C(1) O(7) H(2) 78.4(2) 1_555 1_555 1_555 no
C(1) O(7) H(5) 70.8(2) 1_555 1_555 1_555 no
C(1) O(7) H(7) 153.7(3) 1_555 1_555 1_555 no
C(2) O(7) C(3) 31.5(1) 1_555 1_555 1_555 yes
C(2) O(7) C(7) 30.7(1) 1_555 1_555 1_555 yes
C(2) O(7) H(2) 47.7(1) 1_555 1_555 1_555 no
C(2) O(7) H(5) 47.2(1) 1_555 1_555 1_555 no
C(2) O(7) H(7) 129.3(1) 1_555 1_555 1_555 no
C(3) O(7) C(7) 50.7(1) 1_555 1_555 1_555 yes
C(3) O(7) H(2) 18.85(8) 1_555 1_555 1_555 no
C(3) O(7) H(5) 58.72(10) 1_555 1_555 1_555 no
C(3) O(7) H(7) 98.5(1) 1_555 1_555 1_555 no
C(7) O(7) H(2) 57.51(9) 1_555 1_555 1_555 no
C(7) O(7) H(5) 18.23(8) 1_555 1_555 1_555 no
C(7) O(7) H(7) 126.8(1) 1_555 1_555 1_555 no
H(2) O(7) H(5) 58.80(6) 1_555 1_555 1_555 no
H(2) O(7) H(7) 81.64(8) 1_555 1_555 1_555 no
H(5) O(7) H(7) 112.5(1) 1_555 1_555 1_555 no
Co(1) O(8) Co(1) 103.3(1) 1_555 1_555 2_657 yes
Co(1) O(8) O(2) 145.5(1) 1_555 1_555 2_657 yes
Co(1) O(8) O(3) 45.18(9) 1_555 1_555 1_555 yes
Co(1) O(8) O(3) 99.6(1) 1_555 1_555 2_657 yes
Co(1) O(8) O(4) 47.82(8) 1_555 1_555 1_555 yes
Co(1) O(8) O(7) 107.1(1) 1_555 1_555 2_757 yes
Co(1) O(8) O(8) 52.02(9) 1_555 1_555 2_657 yes
Co(1) O(8) C(1) 123.0(2) 1_555 1_555 2_757 yes
Co(1) O(8) C(2) 129.9(2) 1_555 1_555 2_757 yes
Co(1) O(8) H(8) 90.1(1) 1_555 1_555 2_657 no
Co(1) O(8) H(10) 61.24(7) 1_555 1_555 1_555 no
Co(1) O(8) O(2) 42.31(8) 2_657 1_555 2_657 yes
Co(1) O(8) O(3) 97.8(1) 2_657 1_555 1_555 yes
Co(1) O(8) O(3) 45.97(8) 2_657 1_555 2_657 yes
Co(1) O(8) O(4) 101.8(1) 2_657 1_555 1_555 yes
Co(1) O(8) O(7) 139.6(2) 2_657 1_555 2_757 yes
Co(1) O(8) O(8) 51.28(9) 2_657 1_555 2_657 yes
Co(1) O(8) C(1) 133.7(2) 2_657 1_555 2_757 yes
Co(1) O(8) C(2) 114.7(1) 2_657 1_555 2_757 yes
Co(1) O(8) H(8) 61.71(8) 2_657 1_555 2_657 no
Co(1) O(8) H(10) 105.0(1) 2_657 1_555 1_555 no
O(2) O(8) O(3) 122.3(1) 2_657 1_555 1_555 yes
O(2) O(8) O(3) 60.8(1) 2_657 1_555 2_657 yes
O(2) O(8) O(4) 127.9(1) 2_657 1_555 1_555 yes
O(2) O(8) O(7) 104.9(1) 2_657 1_555 2_757 yes
O(2) O(8) O(8) 93.5(1) 2_657 1_555 2_657 yes
O(2) O(8) C(1) 91.5(2) 2_657 1_555 2_757 yes
O(2) O(8) C(2) 77.2(1) 2_657 1_555 2_757 yes
O(2) O(8) H(8) 71.68(9) 2_657 1_555 2_657 no
O(2) O(8) H(10) 116.5(1) 2_657 1_555 1_555 no
O(3) O(8) O(3) 127.5(1) 1_555 1_555 2_657 yes
O(3) O(8) O(4) 93.0(1) 1_555 1_555 1_555 yes
O(3) O(8) O(7) 122.5(1) 1_555 1_555 2_757 yes
O(3) O(8) O(8) 62.9(1) 1_555 1_555 2_657 yes
O(3) O(8) C(1) 114.8(2) 1_555 1_555 2_757 yes
O(3) O(8) C(2) 96.5(1) 1_555 1_555 2_757 yes
O(3) O(8) H(8) 50.88(8) 1_555 1_555 2_657 no
O(3) O(8) H(10) 18.77(7) 1_555 1_555 1_555 no
O(3) O(8) O(4) 67.4(1) 2_657 1_555 1_555 yes
O(3) O(8) O(7) 102.4(1) 2_657 1_555 2_757 yes
O(3) O(8) O(8) 64.6(1) 2_657 1_555 2_657 yes
O(3) O(8) C(1) 117.6(2) 2_657 1_555 2_757 yes
O(3) O(8) C(2) 130.2(2) 2_657 1_555 2_757 yes
O(3) O(8) H(8) 107.4(1) 2_657 1_555 2_657 no
O(3) O(8) H(10) 143.5(1) 2_657 1_555 1_555 no
O(4) O(8) O(7) 80.4(1) 1_555 1_555 2_757 yes
O(4) O(8) O(8) 68.1(1) 1_555 1_555 2_657 yes
O(4) O(8) C(1) 108.0(2) 1_555 1_555 2_757 yes
O(4) O(8) C(2) 140.4(2) 1_555 1_555 2_757 yes
O(4) O(8) H(8) 132.3(1) 1_555 1_555 2_657 no
O(4) O(8) H(10) 107.9(1) 1_555 1_555 1_555 no
O(7) O(8) O(8) 148.5(2) 2_757 1_555 2_657 yes
O(7) O(8) C(1) 28.1(2) 2_757 1_555 2_757 yes
O(7) O(8) C(2) 62.1(1) 2_757 1_555 2_757 yes
O(7) O(8) H(8) 142.3(1) 2_757 1_555 2_657 no
O(7) O(8) H(10) 112.6(1) 2_757 1_555 1_555 no
O(8) O(8) C(1) 174.9(3) 2_657 1_555 2_757 yes
O(8) O(8) C(2) 148.5(2) 2_657 1_555 2_757 yes
O(8) O(8) H(8) 67.5(1) 2_657 1_555 2_657 no
O(8) O(8) H(10) 79.9(1) 2_657 1_555 1_555 no
C(1) O(8) C(2) 34.1(2) 2_757 1_555 2_757 yes
C(1) O(8) H(8) 114.9(2) 2_757 1_555 2_657 no
C(1) O(8) H(10) 98.5(2) 2_757 1_555 1_555 no
C(2) O(8) H(8) 81.0(1) 2_757 1_555 2_657 no
C(2) O(8) H(10) 77.7(1) 2_757 1_555 1_555 no
H(8) O(8) H(10) 47.26(5) 2_657 1_555 1_555 no
O(3) O(9) O(4) 154.9(2) 2_667 1_555 2_657 yes
O(3) O(9) O(10) 99.3(2) 2_667 1_555 1_555 yes
O(3) O(9) H(5) 90.6(1) 2_667 1_555 2_657 no
O(3) O(9) H(7) 169.9(2) 2_667 1_555 2_657 no
O(3) O(9) H(8) 139.5(2) 2_667 1_555 2_657 no
O(3) O(9) H(9) 17.31(8) 2_667 1_555 2_667 no
O(3) O(9) H(10) 19.04(8) 2_667 1_555 2_667 no
O(4) O(9) O(10) 99.7(2) 2_657 1_555 1_555 yes
O(4) O(9) H(5) 103.3(2) 2_657 1_555 2_657 no
O(4) O(9) H(7) 18.56(6) 2_657 1_555 2_657 no
O(4) O(9) H(8) 15.50(7) 2_657 1_555 2_657 no
O(4) O(9) H(9) 161.8(2) 2_657 1_555 2_667 no
O(4) O(9) H(10) 139.9(2) 2_657 1_555 2_667 no
O(10) O(9) H(5) 96.6(2) 1_555 1_555 2_657 no
O(10) O(9) H(7) 82.3(2) 1_555 1_555 2_657 no
O(10) O(9) H(8) 110.1(2) 1_555 1_555 2_657 no
O(10) O(9) H(9) 82.1(2) 1_555 1_555 2_667 no
O(10) O(9) H(10) 118.1(2) 1_555 1_555 2_667 no
H(5) O(9) H(7) 99.2(1) 2_657 1_555 2_657 no
H(5) O(9) H(8) 112.3(2) 2_657 1_555 2_657 no
H(5) O(9) H(9) 94.5(1) 2_657 1_555 2_667 no
H(5) O(9) H(10) 86.0(1) 2_657 1_555 2_667 no
H(7) O(9) H(8) 33.12(6) 2_657 1_555 2_657 no
H(7) O(9) H(9) 160.2(2) 2_657 1_555 2_667 no
H(7) O(9) H(10) 158.4(2) 2_657 1_555 2_667 no
H(8) O(9) H(9) 148.3(2) 2_657 1_555 2_667 no
H(8) O(9) H(10) 125.8(2) 2_657 1_555 2_667 no
H(9) O(9) H(10) 36.35(7) 2_667 1_555 2_667 no
O(1) O(10) O(9) 127.3(2) 1_454 1_555 1_555 yes
O(1) O(10) O(11) 103.7(3) 1_454 1_555 1_555 yes
O(1) O(10) H(1) 92.8(2) 1_454 1_555 1_454 no
O(1) O(10) H(2) 56.9(1) 1_454 1_555 2_657 no
O(1) O(10) H(4) 63.2(1) 1_454 1_555 2_657 no
O(9) O(10) O(11) 118.8(3) 1_555 1_555 1_555 yes
O(9) O(10) H(1) 120.9(3) 1_555 1_555 1_454 no
O(9) O(10) H(2) 71.5(2) 1_555 1_555 2_657 no
O(9) O(10) H(4) 76.6(2) 1_555 1_555 2_657 no
O(11) O(10) H(1) 82.3(3) 1_555 1_555 1_454 no
O(11) O(10) H(2) 152.0(3) 1_555 1_555 2_657 no
O(11) O(10) H(4) 104.3(3) 1_555 1_555 2_657 no
H(1) O(10) H(2) 116.0(2) 1_454 1_555 2_657 no
H(1) O(10) H(4) 156.0(2) 1_454 1_555 2_657 no
H(2) O(10) H(4) 50.42(9) 2_657 1_555 2_657 no
O(2) O(11) O(10) 99.5(4) 1_554 1_555 1_555 yes
O(2) O(11) O(11) 135.4(8) 1_554 1_555 2_666 yes
O(2) O(11) H(3) 151.6(5) 1_554 1_555 1_464 no
O(2) O(11) H(3) 62.8(2) 1_554 1_555 2_757 no
O(2) O(11) H(9) 63.6(2) 1_554 1_555 1_554 no
O(10) O(11) O(11) 84.6(8) 1_555 1_555 2_666 yes
O(10) O(11) H(3) 73.7(3) 1_555 1_555 1_464 no
O(10) O(11) H(3) 103.0(3) 1_555 1_555 2_757 no
O(10) O(11) H(9) 141.3(6) 1_555 1_555 1_554 no
O(11) O(11) H(3) 72.4(6) 2_666 1_555 1_464 no
O(11) O(11) H(3) 72.9(7) 2_666 1_555 2_757 no
O(11) O(11) H(9) 132(1) 2_666 1_555 1_554 no
H(3) O(11) H(3) 145.3(4) 1_464 1_555 2_757 no
H(3) O(11) H(9) 104.1(3) 1_464 1_555 1_554 no
H(3) O(11) H(9) 99.2(3) 2_757 1_555 1_554 no
Co(1) C(1) Co(2) 72.89(8) 2_757 1_555 1_555 yes
Co(1) C(1) O(7) 102.0(2) 2_757 1_555 1_555 yes
Co(1) C(1) O(8) 35.9(2) 2_757 1_555 2_757 yes
Co(1) C(1) C(2) 125.9(2) 2_757 1_555 1_555 yes
Co(1) C(1) C(3) 159.6(2) 2_757 1_555 1_555 yes
Co(1) C(1) C(7) 103.7(1) 2_757 1_555 1_555 yes
Co(1) C(1) H(1) 158.0(2) 2_757 1_555 1_555 no
Co(1) C(1) H(2) 165.3(1) 2_757 1_555 1_555 no
Co(1) C(1) H(5) 105.7(1) 2_757 1_555 1_555 no
Co(1) C(1) H(6) 82.98(10) 2_757 1_555 1_555 no
Co(2) C(1) O(7) 33.6(2) 1_555 1_555 1_555 yes
Co(2) C(1) O(8) 89.4(2) 1_555 1_555 2_757 yes
Co(2) C(1) C(2) 152.4(3) 1_555 1_555 1_555 yes
Co(2) C(1) C(3) 126.5(2) 1_555 1_555 1_555 yes
Co(2) C(1) C(7) 126.1(2) 1_555 1_555 1_555 yes
Co(2) C(1) H(1) 122.9(1) 1_555 1_555 1_555 no
Co(2) C(1) H(2) 107.1(1) 1_555 1_555 1_555 no
Co(2) C(1) H(5) 105.6(1) 1_555 1_555 1_555 no
Co(2) C(1) H(6) 123.3(1) 1_555 1_555 1_555 no
O(7) C(1) O(8) 123.0(4) 1_555 1_555 2_757 yes
O(7) C(1) C(2) 119.2(3) 1_555 1_555 1_555 yes
O(7) C(1) C(3) 95.0(3) 1_555 1_555 1_555 yes
O(7) C(1) C(7) 103.4(3) 1_555 1_555 1_555 yes
O(7) C(1) H(1) 98.1(2) 1_555 1_555 1_555 no
O(7) C(1) H(2) 74.6(2) 1_555 1_555 1_555 no
O(7) C(1) H(5) 82.0(2) 1_555 1_555 1_555 no
O(7) C(1) H(6) 112.1(3) 1_555 1_555 1_555 no
O(8) C(1) C(2) 117.7(3) 2_757 1_555 1_555 yes
O(8) C(1) C(3) 137.2(3) 2_757 1_555 1_555 yes
O(8) C(1) C(7) 119.5(3) 2_757 1_555 1_555 yes
O(8) C(1) H(1) 123.5(3) 2_757 1_555 1_555 no
O(8) C(1) H(2) 156.5(3) 2_757 1_555 1_555 no
O(8) C(1) H(5) 132.6(3) 2_757 1_555 1_555 no
O(8) C(1) H(6) 100.0(2) 2_757 1_555 1_555 no
C(2) C(1) C(3) 33.9(2) 1_555 1_555 1_555 yes
C(2) C(1) C(7) 37.1(2) 1_555 1_555 1_555 yes
C(2) C(1) H(1) 47.3(2) 1_555 1_555 1_555 no
C(2) C(1) H(2) 49.2(2) 1_555 1_555 1_555 no
C(2) C(1) H(5) 53.0(2) 1_555 1_555 1_555 no
C(2) C(1) H(6) 50.9(2) 1_555 1_555 1_555 no
C(3) C(1) C(7) 61.0(2) 1_555 1_555 1_555 yes
C(3) C(1) H(1) 20.20(9) 1_555 1_555 1_555 no
C(3) C(1) H(2) 20.66(10) 1_555 1_555 1_555 no
C(3) C(1) H(5) 65.4(1) 1_555 1_555 1_555 no
C(3) C(1) H(6) 80.3(1) 1_555 1_555 1_555 no
C(7) C(1) H(1) 79.9(1) 1_555 1_555 1_555 no
C(7) C(1) H(2) 64.0(1) 1_555 1_555 1_555 no
C(7) C(1) H(5) 21.6(1) 1_555 1_555 1_555 no
C(7) C(1) H(6) 21.09(9) 1_555 1_555 1_555 no
H(1) C(1) H(2) 33.13(4) 1_555 1_555 1_555 no
H(1) C(1) H(5) 85.6(1) 1_555 1_555 1_555 no
H(1) C(1) H(6) 97.6(1) 1_555 1_555 1_555 no
H(2) C(1) H(5) 59.77(8) 1_555 1_555 1_555 no
H(2) C(1) H(6) 85.1(1) 1_555 1_555 1_555 no
H(5) C(1) H(6) 34.58(5) 1_555 1_555 1_555 no
O(7) C(2) O(8) 55.3(1) 1_555 1_555 2_757 yes
O(7) C(2) C(1) 27.1(2) 1_555 1_555 1_555 yes
O(7) C(2) C(3) 93.8(2) 1_555 1_555 1_555 yes
O(7) C(2) C(4) 125.4(2) 1_555 1_555 1_555 yes
O(7) C(2) C(5) 121.5(2) 1_555 1_555 1_555 yes
O(7) C(2) C(6) 125.1(2) 1_555 1_555 1_555 yes
O(7) C(2) C(7) 97.1(2) 1_555 1_555 1_555 yes
O(7) C(2) H(1) 91.0(2) 1_555 1_555 1_555 no
O(7) C(2) H(2) 72.9(1) 1_555 1_555 1_555 no
O(7) C(2) H(5) 74.4(1) 1_555 1_555 1_555 no
O(7) C(2) H(6) 96.4(2) 1_555 1_555 1_555 no
O(8) C(2) C(1) 28.2(2) 2_757 1_555 1_555 yes
O(8) C(2) C(3) 130.2(3) 2_757 1_555 1_555 yes
O(8) C(2) C(4) 159.4(2) 2_757 1_555 1_555 yes
O(8) C(2) C(5) 169.3(2) 2_757 1_555 1_555 yes
O(8) C(2) C(6) 139.8(2) 2_757 1_555 1_555 yes
O(8) C(2) C(7) 110.8(2) 2_757 1_555 1_555 yes
O(8) C(2) H(1) 108.5(2) 2_757 1_555 1_555 no
O(8) C(2) H(2) 122.3(2) 2_757 1_555 1_555 no
O(8) C(2) H(5) 106.2(2) 2_757 1_555 1_555 no
O(8) C(2) H(6) 88.9(1) 2_757 1_555 1_555 no
C(1) C(2) C(3) 112.5(3) 1_555 1_555 1_555 yes
C(1) C(2) C(4) 147.6(3) 1_555 1_555 1_555 yes
C(1) C(2) C(5) 148.0(3) 1_555 1_555 1_555 yes
C(1) C(2) C(6) 139.9(3) 1_555 1_555 1_555 yes
C(1) C(2) C(7) 106.6(3) 1_555 1_555 1_555 yes
C(1) C(2) H(1) 99.7(2) 1_555 1_555 1_555 no
C(1) C(2) H(2) 96.8(2) 1_555 1_555 1_555 no
C(1) C(2) H(5) 90.9(2) 1_555 1_555 1_555 no
C(1) C(2) H(6) 94.2(2) 1_555 1_555 1_555 no
C(3) C(2) C(4) 35.3(2) 1_555 1_555 1_555 yes
C(3) C(2) C(5) 58.0(2) 1_555 1_555 1_555 yes
C(3) C(2) C(6) 89.2(2) 1_555 1_555 1_555 yes
C(3) C(2) C(7) 111.0(3) 1_555 1_555 1_555 yes
C(3) C(2) H(1) 25.9(2) 1_555 1_555 1_555 no
C(3) C(2) H(2) 25.9(2) 1_555 1_555 1_555 no
C(3) C(2) H(5) 99.7(2) 1_555 1_555 1_555 no
C(3) C(2) H(6) 136.8(3) 1_555 1_555 1_555 no
C(4) C(2) C(5) 31.3(1) 1_555 1_555 1_555 yes
C(4) C(2) C(6) 59.5(1) 1_555 1_555 1_555 yes
C(4) C(2) C(7) 89.8(2) 1_555 1_555 1_555 yes
C(4) C(2) H(1) 52.5(1) 1_555 1_555 1_555 no
C(4) C(2) H(2) 52.5(1) 1_555 1_555 1_555 no
C(4) C(2) H(5) 92.7(2) 1_555 1_555 1_555 no
C(4) C(2) H(6) 110.6(2) 1_555 1_555 1_555 no
C(5) C(2) C(6) 31.2(1) 1_555 1_555 1_555 yes
C(5) C(2) C(7) 58.6(2) 1_555 1_555 1_555 yes
C(5) C(2) H(1) 81.1(1) 1_555 1_555 1_555 no
C(5) C(2) H(2) 61.3(1) 1_555 1_555 1_555 no
C(5) C(2) H(5) 63.7(1) 1_555 1_555 1_555 no
C(5) C(2) H(6) 81.2(1) 1_555 1_555 1_555 no
C(6) C(2) C(7) 33.5(2) 1_555 1_555 1_555 yes
C(6) C(2) H(1) 111.6(2) 1_555 1_555 1_555 no
C(6) C(2) H(2) 89.1(2) 1_555 1_555 1_555 no
C(6) C(2) H(5) 51.2(1) 1_555 1_555 1_555 no
C(6) C(2) H(6) 51.2(1) 1_555 1_555 1_555 no
C(7) C(2) H(1) 136.9(3) 1_555 1_555 1_555 no
C(7) C(2) H(2) 98.1(2) 1_555 1_555 1_555 no
C(7) C(2) H(5) 26.0(2) 1_555 1_555 1_555 no
C(7) C(2) H(6) 26.0(2) 1_555 1_555 1_555 no
H(1) C(2) H(2) 44.47(8) 1_555 1_555 1_555 no
H(1) C(2) H(5) 123.7(2) 1_555 1_555 1_555 no
H(1) C(2) H(6) 162.2(2) 1_555 1_555 1_555 no
H(2) C(2) H(5) 79.5(1) 1_555 1_555 1_555 no
H(2) C(2) H(6) 122.9(2) 1_555 1_555 1_555 no
H(5) C(2) H(6) 44.34(8) 1_555 1_555 1_555 no
O(1) C(3) O(7) 133.4(2) 2_758 1_555 1_555 yes
O(1) C(3) C(1) 157.8(2) 2_758 1_555 1_555 yes
O(1) C(3) C(2) 164.8(3) 2_758 1_555 1_555 yes
O(1) C(3) C(4) 57.3(2) 2_758 1_555 1_555 yes
O(1) C(3) C(5) 73.8(2) 2_758 1_555 1_555 yes
O(1) C(3) C(6) 105.0(2) 2_758 1_555 1_555 yes
O(1) C(3) C(7) 131.4(2) 2_758 1_555 1_555 yes
O(1) C(3) C(8) 25.9(1) 2_758 1_555 2_758 yes
O(1) C(3) H(1) 83.7(3) 2_758 1_555 1_555 no
O(1) C(3) H(2) 71.7(2) 2_758 1_555 1_555 no
O(1) C(3) H(4) 68.2(1) 2_758 1_555 1_555 no
O(1) C(3) H(5) 122.5(2) 2_758 1_555 1_555 no
O(7) C(3) C(1) 25.2(1) 1_555 1_555 1_555 yes
O(7) C(3) C(2) 54.7(2) 1_555 1_555 1_555 yes
O(7) C(3) C(4) 153.4(3) 1_555 1_555 1_555 yes
O(7) C(3) C(5) 118.7(2) 1_555 1_555 1_555 yes
O(7) C(3) C(6) 96.6(1) 1_555 1_555 1_555 yes
O(7) C(3) C(7) 66.3(1) 1_555 1_555 1_555 yes
O(7) C(3) C(8) 158.0(2) 1_555 1_555 2_758 yes
O(7) C(3) H(1) 96.7(3) 1_555 1_555 1_555 no
O(7) C(3) H(2) 64.3(2) 1_555 1_555 1_555 no
O(7) C(3) H(4) 107.1(1) 1_555 1_555 1_555 no
O(7) C(3) H(5) 56.67(10) 1_555 1_555 1_555 no
C(1) C(3) C(2) 33.6(2) 1_555 1_555 1_555 yes
C(1) C(3) C(4) 143.0(3) 1_555 1_555 1_555 yes
C(1) C(3) C(5) 118.0(2) 1_555 1_555 1_555 yes
C(1) C(3) C(6) 88.5(2) 1_555 1_555 1_555 yes
C(1) C(3) C(7) 58.0(1) 1_555 1_555 1_555 yes
C(1) C(3) C(8) 176.2(2) 1_555 1_555 2_758 yes
C(1) C(3) H(1) 92.8(3) 1_555 1_555 1_555 no
C(1) C(3) H(2) 89.1(3) 1_555 1_555 1_555 no
C(1) C(3) H(4) 115.6(2) 1_555 1_555 1_555 no
C(1) C(3) H(5) 58.0(1) 1_555 1_555 1_555 no
C(2) C(3) C(4) 109.5(3) 1_555 1_555 1_555 yes
C(2) C(3) C(5) 91.0(2) 1_555 1_555 1_555 yes
C(2) C(3) C(6) 59.7(2) 1_555 1_555 1_555 yes
C(2) C(3) C(7) 34.7(2) 1_555 1_555 1_555 yes
C(2) C(3) C(8) 142.6(3) 1_555 1_555 2_758 yes
C(2) C(3) H(1) 109.4(4) 1_555 1_555 1_555 no
C(2) C(3) H(2) 109.5(3) 1_555 1_555 1_555 no
C(2) C(3) H(4) 97.7(2) 1_555 1_555 1_555 no
C(2) C(3) H(5) 47.2(2) 1_555 1_555 1_555 no
C(4) C(3) C(5) 35.1(2) 1_555 1_555 1_555 yes
C(4) C(3) C(6) 57.8(2) 1_555 1_555 1_555 yes
C(4) C(3) C(7) 88.8(2) 1_555 1_555 1_555 yes
C(4) C(3) C(8) 33.3(2) 1_555 1_555 2_758 yes
C(4) C(3) H(1) 109.5(3) 1_555 1_555 1_555 no
C(4) C(3) H(2) 109.4(4) 1_555 1_555 1_555 no
C(4) C(3) H(4) 49.9(2) 1_555 1_555 1_555 no
C(4) C(3) H(5) 96.7(2) 1_555 1_555 1_555 no
C(5) C(3) C(6) 31.2(1) 1_555 1_555 1_555 yes
C(5) C(3) C(7) 60.2(2) 1_555 1_555 1_555 yes
C(5) C(3) C(8) 59.5(2) 1_555 1_555 2_758 yes
C(5) C(3) H(1) 144.6(3) 1_555 1_555 1_555 no
C(5) C(3) H(2) 89.3(3) 1_555 1_555 1_555 no
C(5) C(3) H(4) 20.73(10) 1_555 1_555 1_555 no
C(5) C(3) H(5) 62.8(1) 1_555 1_555 1_555 no
C(6) C(3) C(7) 31.1(1) 1_555 1_555 1_555 yes
C(6) C(3) C(8) 88.5(2) 1_555 1_555 2_758 yes
C(6) C(3) H(1) 151.2(3) 1_555 1_555 1_555 no
C(6) C(3) H(2) 99.2(3) 1_555 1_555 1_555 no
C(6) C(3) H(4) 42.36(9) 1_555 1_555 1_555 no
C(6) C(3) H(5) 41.67(9) 1_555 1_555 1_555 no
C(7) C(3) C(8) 119.3(2) 1_555 1_555 2_758 yes
C(7) C(3) H(1) 144.0(3) 1_555 1_555 1_555 no
C(7) C(3) H(2) 91.9(3) 1_555 1_555 1_555 no
C(7) C(3) H(4) 63.2(1) 1_555 1_555 1_555 no
C(7) C(3) H(5) 20.09(10) 1_555 1_555 1_555 no
C(8) C(3) H(1) 88.7(3) 2_758 1_555 1_555 no
C(8) C(3) H(2) 93.7(3) 2_758 1_555 1_555 no
C(8) C(3) H(4) 63.3(1) 2_758 1_555 1_555 no
C(8) C(3) H(5) 120.5(2) 2_758 1_555 1_555 no
H(1) C(3) H(2) 109.5(4) 1_555 1_555 1_555 no
H(1) C(3) H(4) 151.2(3) 1_555 1_555 1_555 no
H(1) C(3) H(5) 150.8(3) 1_555 1_555 1_555 no
H(2) C(3) H(4) 68.5(2) 1_555 1_555 1_555 no
H(2) C(3) H(5) 71.9(2) 1_555 1_555 1_555 no
H(4) C(3) H(5) 57.69(8) 1_555 1_555 1_555 no
O(1) C(4) O(2) 55.2(1) 2_758 1_555 2_758 yes
O(1) C(4) C(2) 125.2(2) 2_758 1_555 1_555 yes
O(1) C(4) C(3) 90.4(3) 2_758 1_555 1_555 yes
O(1) C(4) C(5) 108.3(3) 2_758 1_555 1_555 yes
O(1) C(4) C(6) 140.2(2) 2_758 1_555 1_555 yes
O(1) C(4) C(7) 134.0(2) 2_758 1_555 1_555 yes
O(1) C(4) C(8) 26.6(2) 2_758 1_555 2_758 yes
O(1) C(4) H(1) 81.2(2) 2_758 1_555 1_555 no
O(1) C(4) H(2) 74.6(2) 2_758 1_555 1_555 no
O(1) C(4) H(3) 102.7(2) 2_758 1_555 1_555 no
O(1) C(4) H(4) 87.9(2) 2_758 1_555 1_555 no
O(2) C(4) C(2) 160.4(2) 2_758 1_555 1_555 yes
O(2) C(4) C(3) 135.7(3) 2_758 1_555 1_555 yes
O(2) C(4) C(5) 107.4(3) 2_758 1_555 1_555 yes
O(2) C(4) C(6) 133.1(2) 2_758 1_555 1_555 yes
O(2) C(4) C(7) 164.6(2) 2_758 1_555 1_555 yes
O(2) C(4) C(8) 28.7(2) 2_758 1_555 2_758 yes
O(2) C(4) H(1) 112.8(2) 2_758 1_555 1_555 no
O(2) C(4) H(2) 129.1(2) 2_758 1_555 1_555 no
O(2) C(4) H(3) 83.5(2) 2_758 1_555 1_555 no
O(2) C(4) H(4) 108.7(2) 2_758 1_555 1_555 no
C(2) C(4) C(3) 35.2(2) 1_555 1_555 1_555 yes
C(2) C(4) C(5) 91.2(2) 1_555 1_555 1_555 yes
C(2) C(4) C(6) 61.5(2) 1_555 1_555 1_555 yes
C(2) C(4) C(7) 31.8(1) 1_555 1_555 1_555 yes
C(2) C(4) C(8) 148.0(3) 1_555 1_555 2_758 yes
C(2) C(4) H(1) 52.4(1) 1_555 1_555 1_555 no
C(2) C(4) H(2) 52.5(1) 1_555 1_555 1_555 no
C(2) C(4) H(3) 113.6(2) 1_555 1_555 1_555 no
C(2) C(4) H(4) 90.7(2) 1_555 1_555 1_555 no
C(3) C(4) C(5) 109.9(3) 1_555 1_555 1_555 yes
C(3) C(4) C(6) 91.1(2) 1_555 1_555 1_555 yes
C(3) C(4) C(7) 59.7(2) 1_555 1_555 1_555 yes
C(3) C(4) C(8) 113.1(3) 1_555 1_555 2_758 yes
C(3) C(4) H(1) 25.9(2) 1_555 1_555 1_555 no
C(3) C(4) H(2) 25.9(2) 1_555 1_555 1_555 no
C(3) C(4) H(3) 135.7(3) 1_555 1_555 1_555 no
C(3) C(4) H(4) 95.4(2) 1_555 1_555 1_555 no
C(5) C(4) C(6) 35.3(2) 1_555 1_555 1_555 yes
C(5) C(4) C(7) 59.6(2) 1_555 1_555 1_555 yes
C(5) C(4) C(8) 110.4(3) 1_555 1_555 2_758 yes
C(5) C(4) H(1) 135.8(3) 1_555 1_555 1_555 no
C(5) C(4) H(2) 95.2(2) 1_555 1_555 1_555 no
C(5) C(4) H(3) 25.8(2) 1_555 1_555 1_555 no
C(5) C(4) H(4) 25.7(2) 1_555 1_555 1_555 no
C(6) C(4) C(7) 31.5(1) 1_555 1_555 1_555 yes
C(6) C(4) C(8) 145.3(3) 1_555 1_555 2_758 yes
C(6) C(4) H(1) 113.6(2) 1_555 1_555 1_555 no
C(6) C(4) H(2) 90.5(2) 1_555 1_555 1_555 no
C(6) C(4) H(3) 52.4(1) 1_555 1_555 1_555 no
C(6) C(4) H(4) 52.4(1) 1_555 1_555 1_555 no
C(7) C(4) C(8) 158.5(3) 1_555 1_555 2_758 yes
C(7) C(4) H(1) 82.4(1) 1_555 1_555 1_555 no
C(7) C(4) H(2) 63.7(1) 1_555 1_555 1_555 no
C(7) C(4) H(3) 82.1(1) 1_555 1_555 1_555 no
C(7) C(4) H(4) 63.7(1) 1_555 1_555 1_555 no
C(8) C(4) H(1) 96.9(2) 2_758 1_555 1_555 no
C(8) C(4) H(2) 100.8(3) 2_758 1_555 1_555 no
C(8) C(4) H(3) 94.0(2) 2_758 1_555 1_555 no
C(8) C(4) H(4) 98.9(3) 2_758 1_555 1_555 no
H(1) C(4) H(2) 44.42(8) 1_555 1_555 1_555 no
H(1) C(4) H(3) 161.6(2) 1_555 1_555 1_555 no
H(1) C(4) H(4) 118.9(2) 1_555 1_555 1_555 no
H(2) C(4) H(3) 118.7(2) 1_555 1_555 1_555 no
H(2) C(4) H(4) 74.7(1) 1_555 1_555 1_555 no
H(3) C(4) H(4) 44.25(8) 1_555 1_555 1_555 no
O(5) C(5) C(2) 95.0(1) 1_545 1_555 1_555 yes
O(5) C(5) C(3) 116.4(2) 1_545 1_555 1_555 yes
O(5) C(5) C(4) 151.0(3) 1_545 1_555 1_555 yes
O(5) C(5) C(6) 54.8(2) 1_545 1_555 1_555 yes
O(5) C(5) C(7) 64.8(1) 1_545 1_555 1_555 yes
O(5) C(5) C(8) 156.5(2) 1_545 1_555 2_758 yes
O(5) C(5) C(9) 25.6(1) 1_545 1_555 1_545 yes
O(5) C(5) H(2) 104.5(1) 1_545 1_555 1_555 no
O(5) C(5) H(3) 99.2(3) 1_545 1_555 1_555 no
O(5) C(5) H(4) 62.6(2) 1_545 1_555 1_555 no
O(5) C(5) H(5) 54.44(10) 1_545 1_555 1_555 no
C(2) C(5) C(3) 31.1(1) 1_555 1_555 1_555 yes
C(2) C(5) C(4) 57.5(2) 1_555 1_555 1_555 yes
C(2) C(5) C(6) 59.9(2) 1_555 1_555 1_555 yes
C(2) C(5) C(7) 31.4(1) 1_555 1_555 1_555 yes
C(2) C(5) C(8) 89.7(2) 1_555 1_555 2_758 yes
C(2) C(5) C(9) 89.6(2) 1_555 1_555 1_545 yes
C(2) C(5) H(2) 42.29(9) 1_555 1_555 1_555 no
C(2) C(5) H(3) 150.8(3) 1_555 1_555 1_555 no
C(2) C(5) H(4) 99.7(3) 1_555 1_555 1_555 no
C(2) C(5) H(5) 41.96(9) 1_555 1_555 1_555 no
C(3) C(5) C(4) 34.9(2) 1_555 1_555 1_555 yes
C(3) C(5) C(6) 90.9(2) 1_555 1_555 1_555 yes
C(3) C(5) C(7) 60.3(2) 1_555 1_555 1_555 yes
C(3) C(5) C(8) 60.9(2) 1_555 1_555 2_758 yes
C(3) C(5) C(9) 118.8(2) 1_555 1_555 1_545 yes
C(3) C(5) H(2) 20.8(1) 1_555 1_555 1_555 no
C(3) C(5) H(3) 144.4(3) 1_555 1_555 1_555 no
C(3) C(5) H(4) 89.7(3) 1_555 1_555 1_555 no
C(3) C(5) H(5) 63.0(1) 1_555 1_555 1_555 no
C(4) C(5) C(6) 109.5(3) 1_555 1_555 1_555 yes
C(4) C(5) C(7) 88.8(2) 1_555 1_555 1_555 yes
C(4) C(5) C(8) 34.6(2) 1_555 1_555 2_758 yes
C(4) C(5) C(9) 144.1(3) 1_555 1_555 1_545 yes
C(4) C(5) H(2) 49.9(2) 1_555 1_555 1_555 no
C(4) C(5) H(3) 109.5(4) 1_555 1_555 1_555 no
C(4) C(5) H(4) 109.7(4) 1_555 1_555 1_555 no
C(4) C(5) H(5) 96.7(2) 1_555 1_555 1_555 no
C(6) C(5) C(7) 34.5(2) 1_555 1_555 1_555 yes
C(6) C(5) C(8) 143.6(3) 1_555 1_555 2_758 yes
C(6) C(5) C(9) 34.7(2) 1_555 1_555 1_545 yes
C(6) C(5) H(2) 97.6(2) 1_555 1_555 1_555 no
C(6) C(5) H(3) 109.3(4) 1_555 1_555 1_555 no
C(6) C(5) H(4) 109.4(3) 1_555 1_555 1_555 no
C(6) C(5) H(5) 47.0(2) 1_555 1_555 1_555 no
C(7) C(5) C(8) 120.8(2) 1_555 1_555 2_758 yes
C(7) C(5) C(9) 58.7(2) 1_555 1_555 1_545 yes
C(7) C(5) H(2) 63.4(1) 1_555 1_555 1_555 no
C(7) C(5) H(3) 143.7(3) 1_555 1_555 1_555 no
C(7) C(5) H(4) 92.2(3) 1_555 1_555 1_555 no
C(7) C(5) H(5) 20.12(10) 1_555 1_555 1_555 no
C(8) C(5) C(9) 177.9(2) 2_758 1_555 1_545 yes
C(8) C(5) H(2) 64.6(1) 2_758 1_555 1_555 no
C(8) C(5) H(3) 87.4(3) 2_758 1_555 1_555 no
C(8) C(5) H(4) 93.9(3) 2_758 1_555 1_555 no
C(8) C(5) H(5) 122.0(2) 2_758 1_555 1_555 no
C(9) C(5) H(2) 116.0(2) 1_545 1_555 1_555 no
C(9) C(5) H(3) 92.2(3) 1_545 1_555 1_555 no
C(9) C(5) H(4) 88.2(3) 1_545 1_555 1_555 no
C(9) C(5) H(5) 58.3(1) 1_545 1_555 1_555 no
H(2) C(5) H(3) 151.3(3) 1_555 1_555 1_555 no
H(2) C(5) H(4) 68.9(2) 1_555 1_555 1_555 no
H(2) C(5) H(5) 57.82(8) 1_555 1_555 1_555 no
H(3) C(5) H(4) 109.5(4) 1_555 1_555 1_555 no
H(3) C(5) H(5) 150.6(3) 1_555 1_555 1_555 no
H(4) C(5) H(5) 72.2(2) 1_555 1_555 1_555 no
O(5) C(6) O(6) 56.0(1) 1_545 1_555 1_545 yes
O(5) C(6) C(2) 122.2(2) 1_545 1_555 1_555 yes
O(5) C(6) C(3) 118.7(2) 1_545 1_555 1_555 yes
O(5) C(6) C(4) 123.8(2) 1_545 1_555 1_555 yes
O(5) C(6) C(5) 93.2(2) 1_545 1_555 1_555 yes
O(5) C(6) C(7) 94.5(2) 1_545 1_555 1_555 yes
O(5) C(6) C(9) 28.4(2) 1_545 1_555 1_545 yes
O(5) C(6) H(3) 91.8(2) 1_545 1_555 1_555 no
O(5) C(6) H(4) 71.5(1) 1_545 1_555 1_555 no
O(5) C(6) H(5) 71.3(1) 1_545 1_555 1_555 no
O(5) C(6) H(6) 94.9(2) 1_545 1_555 1_555 no
O(6) C(6) C(2) 145.6(2) 1_545 1_555 1_555 yes
O(6) C(6) C(3) 173.0(2) 1_545 1_555 1_555 yes
O(6) C(6) C(4) 154.6(2) 1_545 1_555 1_555 yes
O(6) C(6) C(5) 124.7(3) 1_545 1_555 1_555 yes
O(6) C(6) C(7) 115.7(3) 1_545 1_555 1_555 yes
O(6) C(6) C(9) 27.6(2) 1_545 1_555 1_545 yes
O(6) C(6) H(3) 103.2(2) 1_545 1_555 1_555 no
O(6) C(6) H(4) 117.6(2) 1_545 1_555 1_555 no
O(6) C(6) H(5) 109.2(2) 1_545 1_555 1_555 no
O(6) C(6) H(6) 94.3(2) 1_545 1_555 1_555 no
C(2) C(6) C(3) 31.0(1) 1_555 1_555 1_555 yes
C(2) C(6) C(4) 59.0(1) 1_555 1_555 1_555 yes
C(2) C(6) C(5) 88.9(2) 1_555 1_555 1_555 yes
C(2) C(6) C(7) 33.8(2) 1_555 1_555 1_555 yes
C(2) C(6) C(9) 141.2(3) 1_555 1_555 1_545 yes
C(2) C(6) H(3) 111.2(2) 1_555 1_555 1_555 no
C(2) C(6) H(4) 89.0(2) 1_555 1_555 1_555 no
C(2) C(6) H(5) 51.5(1) 1_555 1_555 1_555 no
C(2) C(6) H(6) 51.5(1) 1_555 1_555 1_555 no
C(3) C(6) C(4) 31.1(1) 1_555 1_555 1_555 yes
C(3) C(6) C(5) 57.9(2) 1_555 1_555 1_555 yes
C(3) C(6) C(7) 58.7(2) 1_555 1_555 1_555 yes
C(3) C(6) C(9) 146.9(3) 1_555 1_555 1_545 yes
C(3) C(6) H(3) 80.9(1) 1_555 1_555 1_555 no
C(3) C(6) H(4) 61.4(1) 1_555 1_555 1_555 no
C(3) C(6) H(5) 63.8(1) 1_555 1_555 1_555 no
C(3) C(6) H(6) 81.3(1) 1_555 1_555 1_555 no
C(4) C(6) C(5) 35.3(2) 1_555 1_555 1_555 yes
C(4) C(6) C(7) 89.6(2) 1_555 1_555 1_555 yes
C(4) C(6) C(9) 145.4(3) 1_555 1_555 1_545 yes
C(4) C(6) H(3) 52.5(1) 1_555 1_555 1_555 no
C(4) C(6) H(4) 52.5(1) 1_555 1_555 1_555 no
C(4) C(6) H(5) 92.6(2) 1_555 1_555 1_555 no
C(4) C(6) H(6) 110.5(2) 1_555 1_555 1_555 no
C(5) C(6) C(7) 110.9(3) 1_555 1_555 1_555 yes
C(5) C(6) C(9) 110.2(3) 1_555 1_555 1_545 yes
C(5) C(6) H(3) 25.9(2) 1_555 1_555 1_555 no
C(5) C(6) H(4) 25.8(2) 1_555 1_555 1_555 no
C(5) C(6) H(5) 99.6(2) 1_555 1_555 1_555 no
C(5) C(6) H(6) 136.8(3) 1_555 1_555 1_555 no
C(7) C(6) C(9) 107.8(3) 1_555 1_555 1_545 yes
C(7) C(6) H(3) 136.8(3) 1_555 1_555 1_555 no
C(7) C(6) H(4) 98.2(2) 1_555 1_555 1_555 no
C(7) C(6) H(5) 26.1(2) 1_555 1_555 1_555 no
C(7) C(6) H(6) 26.1(2) 1_555 1_555 1_555 no
C(9) C(6) H(3) 97.7(2) 1_545 1_555 1_555 no
C(9) C(6) H(4) 94.6(2) 1_545 1_555 1_555 no
C(9) C(6) H(5) 91.2(2) 1_545 1_555 1_555 no
C(9) C(6) H(6) 96.0(2) 1_545 1_555 1_555 no
H(3) C(6) H(4) 44.32(8) 1_555 1_555 1_555 no
H(3) C(6) H(5) 123.6(2) 1_555 1_555 1_555 no
H(3) C(6) H(6) 162.1(2) 1_555 1_555 1_555 no
H(4) C(6) H(5) 79.6(1) 1_555 1_555 1_555 no
H(4) C(6) H(6) 123.1(2) 1_555 1_555 1_555 no
H(5) C(6) H(6) 44.57(8) 1_555 1_555 1_555 no
O(5) C(7) O(7) 122.9(2) 1_545 1_555 1_555 yes
O(5) C(7) C(1) 146.7(2) 1_545 1_555 1_555 yes
O(5) C(7) C(2) 149.0(3) 1_545 1_555 1_555 yes
O(5) C(7) C(3) 114.8(2) 1_545 1_555 1_555 yes
O(5) C(7) C(4) 94.7(1) 1_545 1_555 1_555 yes
O(5) C(7) C(5) 63.7(1) 1_545 1_555 1_555 yes
O(5) C(7) C(6) 53.9(2) 1_545 1_555 1_555 yes
O(5) C(7) C(9) 25.2(1) 1_545 1_555 1_545 yes
O(5) C(7) H(2) 102.2(1) 1_545 1_555 1_555 no
O(5) C(7) H(4) 54.53(10) 1_545 1_555 1_555 no
O(5) C(7) H(5) 60.5(2) 1_545 1_555 1_555 no
O(5) C(7) H(6) 102.4(3) 1_545 1_555 1_555 no
O(5) C(7) H(10) 124.7(1) 1_545 1_555 2_757 no
O(7) C(7) C(1) 23.8(1) 1_555 1_555 1_555 yes
O(7) C(7) C(2) 52.2(2) 1_555 1_555 1_555 yes
O(7) C(7) C(3) 63.0(1) 1_555 1_555 1_555 yes
O(7) C(7) C(4) 94.1(1) 1_555 1_555 1_555 yes
O(7) C(7) C(5) 115.3(2) 1_555 1_555 1_555 yes
O(7) C(7) C(6) 149.9(3) 1_555 1_555 1_555 yes
O(7) C(7) C(9) 148.1(2) 1_555 1_555 1_545 yes
O(7) C(7) H(2) 54.81(9) 1_555 1_555 1_555 no
O(7) C(7) H(4) 103.5(1) 1_555 1_555 1_555 no
O(7) C(7) H(5) 62.7(2) 1_555 1_555 1_555 no
O(7) C(7) H(6) 101.3(3) 1_555 1_555 1_555 no
O(7) C(7) H(10) 88.9(1) 1_555 1_555 2_757 no
C(1) C(7) C(2) 36.3(2) 1_555 1_555 1_555 yes
C(1) C(7) C(3) 61.0(2) 1_555 1_555 1_555 yes
C(1) C(7) C(4) 91.3(2) 1_555 1_555 1_555 yes
C(1) C(7) C(5) 120.4(2) 1_555 1_555 1_555 yes
C(1) C(7) C(6) 148.9(3) 1_555 1_555 1_555 yes
C(1) C(7) C(9) 171.8(2) 1_555 1_555 1_545 yes
C(1) C(7) H(2) 62.2(1) 1_555 1_555 1_555 no
C(1) C(7) H(4) 116.3(2) 1_555 1_555 1_555 no
C(1) C(7) H(5) 86.3(3) 1_555 1_555 1_555 no
C(1) C(7) H(6) 90.6(3) 1_555 1_555 1_555 no
C(1) C(7) H(10) 72.7(1) 1_555 1_555 2_757 no
C(2) C(7) C(3) 34.3(2) 1_555 1_555 1_555 yes
C(2) C(7) C(4) 58.5(2) 1_555 1_555 1_555 yes
C(2) C(7) C(5) 90.0(2) 1_555 1_555 1_555 yes
C(2) C(7) C(6) 112.7(3) 1_555 1_555 1_555 yes
C(2) C(7) C(9) 148.3(3) 1_555 1_555 1_545 yes
C(2) C(7) H(2) 47.9(2) 1_555 1_555 1_555 no
C(2) C(7) H(4) 95.1(2) 1_555 1_555 1_555 no
C(2) C(7) H(5) 108.7(4) 1_555 1_555 1_555 no
C(2) C(7) H(6) 108.6(3) 1_555 1_555 1_555 no
C(2) C(7) H(10) 86.2(2) 1_555 1_555 2_757 no
C(3) C(7) C(4) 31.5(1) 1_555 1_555 1_555 yes
C(3) C(7) C(5) 59.5(2) 1_555 1_555 1_555 yes
C(3) C(7) C(6) 90.2(2) 1_555 1_555 1_555 yes
C(3) C(7) C(9) 119.6(2) 1_555 1_555 1_545 yes
C(3) C(7) H(2) 20.31(10) 1_555 1_555 1_555 no
C(3) C(7) H(4) 61.0(1) 1_555 1_555 1_555 no
C(3) C(7) H(5) 93.7(3) 1_555 1_555 1_555 no
C(3) C(7) H(6) 142.5(3) 1_555 1_555 1_555 no
C(3) C(7) H(10) 120.1(2) 1_555 1_555 2_757 no
C(4) C(7) C(5) 31.6(1) 1_555 1_555 1_555 yes
C(4) C(7) C(6) 58.9(2) 1_555 1_555 1_555 yes
C(4) C(7) C(9) 90.9(2) 1_555 1_555 1_545 yes
C(4) C(7) H(2) 42.29(9) 1_555 1_555 1_555 no
C(4) C(7) H(4) 42.47(10) 1_555 1_555 1_555 no
C(4) C(7) H(5) 105.2(3) 1_555 1_555 1_555 no
C(4) C(7) H(6) 145.4(3) 1_555 1_555 1_555 no
C(4) C(7) H(10) 129.9(2) 1_555 1_555 2_757 no
C(5) C(7) C(6) 34.6(2) 1_555 1_555 1_555 yes
C(5) C(7) C(9) 60.3(2) 1_555 1_555 1_545 yes
C(5) C(7) H(2) 60.9(1) 1_555 1_555 1_555 no
C(5) C(7) H(4) 20.28(10) 1_555 1_555 1_555 no
C(5) C(7) H(5) 93.6(3) 1_555 1_555 1_555 no
C(5) C(7) H(6) 142.9(3) 1_555 1_555 1_555 no
C(5) C(7) H(10) 145.4(2) 1_555 1_555 2_757 no
C(6) C(7) C(9) 36.0(2) 1_555 1_555 1_545 yes
C(6) C(7) H(2) 95.3(2) 1_555 1_555 1_555 no
C(6) C(7) H(4) 48.1(2) 1_555 1_555 1_555 no
C(6) C(7) H(5) 108.7(3) 1_555 1_555 1_555 no
C(6) C(7) H(6) 108.7(4) 1_555 1_555 1_555 no
C(6) C(7) H(10) 118.0(2) 1_555 1_555 2_757 no
C(9) C(7) H(2) 115.3(2) 1_545 1_555 1_555 no
C(9) C(7) H(4) 61.1(1) 1_545 1_555 1_555 no
C(9) C(7) H(5) 85.5(3) 1_545 1_555 1_555 no
C(9) C(7) H(6) 92.0(3) 1_545 1_555 1_555 no
C(9) C(7) H(10) 111.6(2) 1_545 1_555 2_757 no
H(2) C(7) H(4) 54.26(7) 1_555 1_555 1_555 no
H(2) C(7) H(5) 73.4(2) 1_555 1_555 1_555 no
H(2) C(7) H(6) 152.7(3) 1_555 1_555 1_555 no
H(2) C(7) H(10) 132.2(1) 1_555 1_555 2_757 no
H(4) C(7) H(5) 73.4(2) 1_555 1_555 1_555 no
H(4) C(7) H(6) 153.0(3) 1_555 1_555 1_555 no
H(4) C(7) H(10) 165.3(2) 1_555 1_555 2_757 no
H(5) C(7) H(6) 109.4(4) 1_555 1_555 1_555 no
H(5) C(7) H(10) 120.2(3) 1_555 1_555 2_757 no
H(6) C(7) H(10) 22.5(2) 1_555 1_555 2_757 no
Co(1) C(8) O(1) 91.7(3) 1_555 1_555 1_555 yes
Co(1) C(8) O(2) 31.8(2) 1_555 1_555 1_555 yes
Co(1) C(8) C(3) 164.2(2) 1_555 1_555 2_758 yes
Co(1) C(8) C(4) 147.7(3) 1_555 1_555 2_758 yes
Co(1) C(8) C(5) 132.0(2) 1_555 1_555 2_758 yes
Co(1) C(8) H(1) 144.3(2) 1_555 1_555 2_758 no
Co(1) C(8) H(2) 165.3(2) 1_555 1_555 2_758 no
Co(1) C(8) H(3) 110.9(1) 1_555 1_555 2_758 no
Co(1) C(8) H(4) 134.3(2) 1_555 1_555 2_758 no
Co(1) C(8) H(7) 55.78(8) 1_555 1_555 1_555 no
O(1) C(8) O(2) 123.4(4) 1_555 1_555 1_555 yes
O(1) C(8) C(3) 91.5(3) 1_555 1_555 2_758 yes
O(1) C(8) C(4) 120.6(4) 1_555 1_555 2_758 yes
O(1) C(8) C(5) 114.8(3) 1_555 1_555 2_758 yes
O(1) C(8) H(1) 87.3(3) 1_555 1_555 2_758 no
O(1) C(8) H(2) 74.5(2) 1_555 1_555 2_758 no
O(1) C(8) H(3) 123.9(4) 1_555 1_555 2_758 no
O(1) C(8) H(4) 95.0(3) 1_555 1_555 2_758 no
O(1) C(8) H(7) 38.6(2) 1_555 1_555 1_555 no
O(2) C(8) C(3) 141.6(3) 1_555 1_555 2_758 yes
O(2) C(8) C(4) 116.0(4) 1_555 1_555 2_758 yes
O(2) C(8) C(5) 110.5(3) 1_555 1_555 2_758 yes
O(2) C(8) H(1) 133.6(3) 1_555 1_555 2_758 no
O(2) C(8) H(2) 161.2(3) 1_555 1_555 2_758 no
O(2) C(8) H(3) 91.2(3) 1_555 1_555 2_758 no
O(2) C(8) H(4) 123.6(3) 1_555 1_555 2_758 no
O(2) C(8) H(7) 86.4(2) 1_555 1_555 1_555 no
C(3) C(8) C(4) 33.6(2) 2_758 1_555 2_758 yes
C(3) C(8) C(5) 59.6(2) 2_758 1_555 2_758 yes
C(3) C(8) H(1) 20.63(10) 2_758 1_555 2_758 no
C(3) C(8) H(2) 19.98(10) 2_758 1_555 2_758 no
C(3) C(8) H(3) 79.9(1) 2_758 1_555 2_758 no
C(3) C(8) H(4) 60.8(1) 2_758 1_555 2_758 no
C(3) C(8) H(7) 121.7(2) 2_758 1_555 1_555 no
C(4) C(8) C(5) 35.0(2) 2_758 1_555 2_758 yes
C(4) C(8) H(1) 49.1(2) 2_758 1_555 2_758 no
C(4) C(8) H(2) 46.6(2) 2_758 1_555 2_758 no
C(4) C(8) H(3) 51.0(2) 2_758 1_555 2_758 no
C(4) C(8) H(4) 47.9(2) 2_758 1_555 2_758 no
C(4) C(8) H(7) 155.2(3) 2_758 1_555 1_555 no
C(5) C(8) H(1) 79.5(1) 2_758 1_555 2_758 no
C(5) C(8) H(2) 60.6(1) 2_758 1_555 2_758 no
C(5) C(8) H(3) 21.08(9) 2_758 1_555 2_758 no
C(5) C(8) H(4) 20.19(10) 2_758 1_555 2_758 no
C(5) C(8) H(7) 149.0(2) 2_758 1_555 1_555 no
H(1) C(8) H(2) 32.93(5) 2_758 1_555 2_758 no
H(1) C(8) H(3) 99.0(1) 2_758 1_555 2_758 no
H(1) C(8) H(4) 81.3(1) 2_758 1_555 2_758 no
H(1) C(8) H(7) 108.1(1) 2_758 1_555 1_555 no
H(2) C(8) H(3) 81.5(1) 2_758 1_555 2_758 no
H(2) C(8) H(4) 53.76(7) 2_758 1_555 2_758 no
H(2) C(8) H(7) 109.5(1) 2_758 1_555 1_555 no
H(3) C(8) H(4) 33.42(5) 2_758 1_555 2_758 no
H(3) C(8) H(7) 144.6(2) 2_758 1_555 1_555 no
H(4) C(8) H(7) 129.2(2) 2_758 1_555 1_555 no
Co(2) C(9) O(5) 91.0(2) 1_555 1_555 1_555 yes
Co(2) C(9) O(6) 34.3(2) 1_555 1_555 1_555 yes
Co(2) C(9) C(5) 156.7(2) 1_555 1_555 1_565 yes
Co(2) C(9) C(6) 152.1(3) 1_555 1_555 1_565 yes
Co(2) C(9) C(7) 140.6(2) 1_555 1_555 1_565 yes
Co(2) C(9) H(3) 136.2(1) 1_555 1_555 1_565 no
Co(2) C(9) H(4) 153.6(2) 1_555 1_555 1_565 no
Co(2) C(9) H(5) 137.7(1) 1_555 1_555 1_565 no
Co(2) C(9) H(6) 120.3(1) 1_555 1_555 1_565 no
O(5) C(9) O(6) 125.3(4) 1_555 1_555 1_555 yes
O(5) C(9) C(5) 94.3(3) 1_555 1_555 1_565 yes
O(5) C(9) C(6) 116.3(3) 1_555 1_555 1_565 yes
O(5) C(9) C(7) 97.8(3) 1_555 1_555 1_565 yes
O(5) C(9) H(3) 99.8(3) 1_555 1_555 1_565 no
O(5) C(9) H(4) 73.4(2) 1_555 1_555 1_565 no
O(5) C(9) H(5) 76.3(2) 1_555 1_555 1_565 no
O(5) C(9) H(6) 106.1(3) 1_555 1_555 1_565 no
O(6) C(9) C(5) 133.9(3) 1_555 1_555 1_565 yes
O(6) C(9) C(6) 118.3(3) 1_555 1_555 1_565 yes
O(6) C(9) C(7) 125.1(3) 1_555 1_555 1_565 yes
O(6) C(9) H(3) 118.0(3) 1_555 1_555 1_565 no
O(6) C(9) H(4) 151.5(3) 1_555 1_555 1_565 no
O(6) C(9) H(5) 139.3(3) 1_555 1_555 1_565 no
O(6) C(9) H(6) 106.5(3) 1_555 1_555 1_565 no
C(5) C(9) C(6) 35.0(2) 1_565 1_555 1_565 yes
C(5) C(9) C(7) 61.0(2) 1_565 1_555 1_565 yes
C(5) C(9) H(3) 20.45(9) 1_565 1_555 1_565 no
C(5) C(9) H(4) 20.91(10) 1_565 1_555 1_565 no
C(5) C(9) H(5) 65.6(1) 1_565 1_555 1_565 no
C(5) C(9) H(6) 79.9(1) 1_565 1_555 1_565 no
C(6) C(9) C(7) 36.2(2) 1_565 1_555 1_565 yes
C(6) C(9) H(3) 48.5(2) 1_565 1_555 1_565 no
C(6) C(9) H(4) 50.5(2) 1_565 1_555 1_565 no
C(6) C(9) H(5) 52.5(2) 1_565 1_555 1_565 no
C(6) C(9) H(6) 49.4(2) 1_565 1_555 1_565 no
C(7) C(9) H(3) 80.0(1) 1_565 1_555 1_565 no
C(7) C(9) H(4) 64.3(1) 1_565 1_555 1_565 no
C(7) C(9) H(5) 21.6(1) 1_565 1_555 1_565 no
C(7) C(9) H(6) 20.78(9) 1_565 1_555 1_565 no
H(3) C(9) H(4) 33.51(5) 1_565 1_555 1_565 no
H(3) C(9) H(5) 86.0(1) 1_565 1_555 1_565 no
H(3) C(9) H(6) 97.3(1) 1_565 1_555 1_565 no
H(4) C(9) H(5) 60.19(8) 1_565 1_555 1_565 no
H(4) C(9) H(6) 85.1(1) 1_565 1_555 1_565 no
H(5) C(9) H(6) 34.28(5) 1_565 1_555 1_565 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co(1) O(2) 2.025(3) 1_555 1_555 yes
Co(1) O(3) 2.103(3) 1_555 1_555 yes
Co(1) O(4) 2.146(3) 1_555 1_555 yes
Co(1) O(5) 2.035(3) 1_555 1_555 yes
Co(1) O(8) 2.088(3) 1_555 1_555 yes
Co(1) O(8) 2.109(3) 1_555 2_657 yes
Co(1) C(1) 2.984(4) 1_555 2_757 yes
Co(1) C(8) 2.984(4) 1_555 1_555 yes
Co(2) O(4) 2.218(3) 1_555 1_555 yes
Co(2) O(4) 2.218(3) 1_555 2_757 yes
Co(2) O(6) 2.050(3) 1_555 1_555 yes
Co(2) O(6) 2.050(3) 1_555 2_757 yes
Co(2) O(7) 2.105(3) 1_555 1_555 yes
Co(2) O(7) 2.105(3) 1_555 2_757 yes
Co(2) C(1) 3.026(4) 1_555 1_555 yes
Co(2) C(1) 3.026(4) 1_555 2_757 yes
Co(2) C(9) 2.967(4) 1_555 1_555 yes
Co(2) C(9) 2.967(4) 1_555 2_757 yes
O(1) O(2) 2.211(5) 1_555 1_555 yes
O(1) O(4) 2.598(5) 1_555 1_555 yes
O(1) O(10) 2.901(7) 1_555 1_656 yes
O(1) C(3) 2.864(5) 1_555 2_758 yes
O(1) C(4) 2.410(5) 1_555 2_758 yes
O(1) C(8) 1.252(5) 1_555 1_555 yes
O(2) O(3) 3.000(4) 1_555 1_555 yes
O(2) O(4) 2.975(4) 1_555 1_555 yes
O(2) O(5) 2.990(4) 1_555 1_555 yes
O(2) O(8) 3.003(4) 1_555 2_657 yes
O(2) O(11) 2.849(10) 1_555 1_556 yes
O(2) C(4) 2.360(5) 1_555 2_758 yes
O(2) C(8) 1.260(5) 1_555 1_555 yes
O(3) O(5) 2.939(4) 1_555 1_555 yes
O(3) O(6) 2.809(4) 1_555 1_455 yes
O(3) O(8) 2.965(4) 1_555 1_555 yes
O(3) O(8) 2.923(4) 1_555 2_657 yes
O(3) O(9) 2.888(6) 1_555 2_667 yes
O(4) O(5) 2.907(4) 1_555 1_555 yes
O(4) O(6) 3.001(4) 1_555 2_757 yes
O(4) O(7) 2.750(4) 1_555 1_555 yes
O(4) O(8) 2.889(4) 1_555 1_555 yes
O(4) O(9) 2.983(5) 1_555 2_657 yes
O(5) O(6) 2.239(4) 1_555 1_555 yes
O(5) C(5) 2.891(5) 1_555 1_565 yes
O(5) C(6) 2.366(5) 1_555 1_565 yes
O(5) C(7) 2.918(5) 1_555 1_565 yes
O(5) C(9) 1.255(5) 1_555 1_555 yes
O(6) O(7) 2.977(4) 1_555 1_555 yes
O(6) O(7) 2.898(4) 1_555 2_757 yes
O(6) C(6) 2.401(5) 1_555 1_565 yes
O(6) C(9) 1.266(5) 1_555 1_555 yes
O(7) O(8) 2.218(4) 1_555 2_757 yes
O(7) C(1) 1.245(5) 1_555 1_555 yes
O(7) C(2) 2.386(5) 1_555 1_555 yes
O(7) C(3) 2.917(5) 1_555 1_555 yes
O(7) C(7) 2.998(5) 1_555 1_555 yes
O(8) O(8) 2.604(5) 1_555 2_657 yes
O(8) C(1) 1.279(5) 1_555 2_757 yes
O(8) C(2) 2.396(4) 1_555 2_757 yes
O(9) O(10) 2.739(8) 1_555 1_555 yes
O(10) O(11) 2.84(1) 1_555 1_555 yes
O(11) O(11) 1.68(2) 1_555 2_666 yes
C(1) C(2) 1.517(5) 1_555 1_555 yes
C(1) C(3) 2.532(5) 1_555 1_555 yes
C(1) C(7) 2.454(5) 1_555 1_555 yes
C(2) C(3) 1.528(5) 1_555 1_555 yes
C(2) C(4) 2.497(5) 1_555 1_555 yes
C(2) C(5) 2.961(5) 1_555 1_555 yes
C(2) C(6) 2.561(5) 1_555 1_555 yes
C(2) C(7) 1.544(5) 1_555 1_555 yes
C(3) C(4) 1.530(5) 1_555 1_555 yes
C(3) C(5) 2.511(6) 1_555 1_555 yes
C(3) C(6) 2.964(5) 1_555 1_555 yes
C(3) C(7) 2.532(5) 1_555 1_555 yes
C(3) C(8) 2.543(6) 1_555 2_758 yes
C(4) C(5) 1.537(5) 1_555 1_555 yes
C(4) C(6) 2.509(5) 1_555 1_555 yes
C(4) C(7) 2.930(5) 1_555 1_555 yes
C(4) C(8) 1.518(5) 1_555 2_758 yes
C(5) C(6) 1.536(5) 1_555 1_555 yes
C(5) C(7) 2.527(6) 1_555 1_555 yes
C(5) C(8) 2.509(6) 1_555 2_758 yes
C(5) C(9) 2.512(6) 1_555 1_545 yes
C(6) C(7) 1.532(5) 1_555 1_555 yes
C(6) C(9) 1.526(5) 1_555 1_545 yes
C(7) C(9) 2.470(5) 1_555 1_545 yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
Co(1) C(1) 2.984(4) 1_555 2_757 ?
Co(1) C(8) 2.984(4) 1_555 1_555 ?
Co(2) C(1) 3.026(4) 1_555 1_555 ?
Co(2) C(1) 3.026(4) 1_555 2_757 ?
Co(2) C(9) 2.967(4) 1_555 1_555 ?
Co(2) C(9) 2.967(4) 1_555 2_757 ?
O(1) O(4) 2.598(5) 1_555 1_555 ?
O(1) O(10) 2.901(7) 1_555 1_656 ?
O(1) C(3) 2.864(5) 1_555 2_758 ?
O(2) O(3) 3.000(4) 1_555 1_555 ?
O(2) O(4) 2.975(4) 1_555 1_555 ?
O(2) O(5) 2.990(4) 1_555 1_555 ?
O(2) O(8) 3.003(4) 1_555 2_657 ?
O(2) O(11) 2.849(10) 1_555 1_556 ?
O(3) O(5) 2.939(4) 1_555 1_555 ?
O(3) O(6) 2.809(4) 1_555 1_455 ?
O(3) O(8) 2.965(4) 1_555 1_555 ?
O(3) O(8) 2.923(4) 1_555 2_657 ?
O(3) O(9) 2.888(6) 1_555 2_667 ?
O(4) O(5) 2.907(4) 1_555 1_555 ?
O(4) O(6) 3.001(4) 1_555 2_757 ?
O(4) O(7) 2.750(4) 1_555 1_555 ?
O(4) O(8) 2.889(4) 1_555 1_555 ?
O(4) O(9) 2.983(5) 1_555 2_657 ?
O(5) C(5) 2.891(5) 1_555 1_565 ?
O(5) C(7) 2.918(5) 1_555 1_565 ?
O(6) O(7) 2.977(4) 1_555 1_555 ?
O(6) O(7) 2.898(4) 1_555 2_757 ?
O(7) C(3) 2.917(5) 1_555 1_555 ?
O(7) C(7) 2.998(5) 1_555 1_555 ?
O(8) O(8) 2.604(5) 1_555 2_657 ?
O(9) O(10) 2.739(8) 1_555 1_555 ?
O(10) O(11) 2.84(1) 1_555 1_555 ?
C(1) C(3) 2.532(5) 1_555 1_555 ?
C(2) C(5) 2.961(5) 1_555 1_555 ?
C(2) C(6) 2.561(5) 1_555 1_555 ?
C(3) C(5) 2.511(6) 1_555 1_555 ?
C(3) C(6) 2.964(5) 1_555 1_555 ?
C(3) C(7) 2.532(5) 1_555 1_555 ?
C(3) C(8) 2.543(6) 1_555 2_758 ?
C(4) C(6) 2.509(5) 1_555 1_555 ?
C(4) C(7) 2.930(5) 1_555 1_555 ?
C(5) C(7) 2.527(6) 1_555 1_555 ?
C(5) C(8) 2.509(6) 1_555 2_758 ?
C(5) C(9) 2.512(6) 1_555 1_545 ?
