#------------------------------------------------------------------------------
#$Date: 2021-04-30 11:19:27 +0300 (Fri, 30 Apr 2021) $
#$Revision: 264720 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/23/1562311.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_1562311
loop_
_publ_author_name
'Li, Na'
'Mu, Bao'
'Cao, Xinyu'
'Huang, Rudan'
_publ_section_title
;
 The structures and properties of the new two-dimensional
 inorganic--organic hybrid materials based on the molybdate chains
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              180
_journal_page_last               186
_journal_paper_doi               10.1016/j.jssc.2014.06.001
_journal_volume                  217
_journal_year                    2014
_chemical_formula_sum            'C24 H24 Mo12 N9 O40 P'
_chemical_formula_weight         2260.77
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.4930(10)
_cell_angle_beta                 103.6870(10)
_cell_angle_gamma                110.381(2)
_cell_formula_units_Z            1
_cell_length_a                   10.8670(9)
_cell_length_b                   11.6701(11)
_cell_length_c                   11.8519(12)
_cell_measurement_reflns_used    2231
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.936
_cell_measurement_theta_min      2.744
_cell_volume                     1331.0(2)
_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-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_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  0.0213
_diffrn_reflns_av_sigmaI/netI    0.0504
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6682
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.74
_exptl_absorpt_coefficient_mu    2.868
_exptl_absorpt_correction_T_max  0.6896
_exptl_absorpt_correction_T_min  0.5842
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    2.820
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1070
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_refine_diff_density_max         2.422
_refine_diff_density_min         -1.275
_refine_diff_density_rms         0.224
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     553
_refine_ls_number_reflns         4609
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0978
_refine_ls_R_factor_gt           0.0638
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0683P)²+29.7816P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1545
_refine_ls_wR_factor_ref         0.1841
_reflns_number_gt                3117
_reflns_number_total             4609
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2014-217-180.cif
_cod_data_source_block           6
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1562311
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.94412(14) 0.31002(11) 0.21814(11) 0.0453(4) Uani 1 1 d . . .
Mo2 Mo 0.86784(15) 0.16756(11) 0.45349(11) 0.0469(4) Uani 1 1 d . . .
Mo3 Mo 0.93638(16) 0.35750(13) 0.73854(12) 0.0537(4) Uani 1 1 d . . .
Mo4 Mo 0.71526(12) 0.49645(13) 0.60066(12) 0.0467(4) Uani 1 1 d . . .
Mo5 Mo 0.65928(12) 0.31639(11) 0.31204(11) 0.0384(3) Uani 1 1 d . . .
Mo6 Mo 0.78480(13) 0.64731(12) 0.36652(13) 0.0463(4) Uani 1 1 d . . .
N1 N 1.133(5) 1.075(4) 1.089(4) 0.059(9) Uani 0.50 1 d P . .
N2 N 1.159(4) 1.075(3) 1.210(3) 0.067(8) Uani 0.50 1 d P . .
H2 H 1.2336 1.1212 1.2662 0.080 Uiso 0.50 1 d PR . .
N3 N 0.829(3) 0.918(2) 0.656(2) 0.057(7) Uani 0.50 1 d P . .
H3 H 0.7929 0.9036 0.5801 0.068 Uiso 0.50 1 d PR . .
N4 N 0.320(5) 0.374(4) 1.025(4) 0.049(14) Uani 0.50 1 d P . .
N5 N 0.201(6) 0.392(6) 1.042(4) 0.050(13) Uani 0.50 1 d P . .
H5 H 0.1310 0.3356 1.0519 0.059 Uiso 0.50 1 d PR . .
N6 N 0.779(8) 0.532(6) 0.958(6) 0.047(16) Uani 0.50 1 d P . .
H6 H 0.8562 0.5412 0.9456 0.056 Uiso 0.50 1 d PR . .
N7 N 0.58(3) 0.92(3) 0.15(3) 0.09(5) Uani 0.50 1 d P . .
N8 N 0.549(6) 0.872(5) 0.247(5) 0.086(17) Uani 0.50 1 d P . .
H8 H 0.6008 0.8462 0.2956 0.103 Uiso 0.50 1 d PR . .
N9 N 0.499(6) 1.104(5) -0.204(6) 0.081(14) Uani 0.50 1 d P . .
H9 H 0.4997 1.1358 -0.2658 0.098 Uiso 0.50 1 d PR . .
O1 O 1.0593(17) 0.4914(15) 0.3883(14) 0.032(4) Uani 0.50 1 d P . .
O2 O 0.8597(18) 0.4933(15) 0.4604(15) 0.034(4) Uani 0.50 1 d P . .
O3 O 1.1012(16) 0.6227(15) 0.5881(14) 0.028(4) Uani 0.50 1 d P . .
O4 O 1.0102(19) 0.3897(16) 0.5546(16) 0.039(4) Uani 0.50 1 d P . .
O5 O 0.9190(11) 0.1912(10) 0.3118(9) 0.053(3) Uani 1 1 d . . .
O6 O 0.7634(12) 0.3006(10) 0.2076(9) 0.055(3) Uani 1 1 d . . .
O7 O 1.1355(12) 0.3672(10) 0.2859(11) 0.080(4) Uani 1 1 d . . .
O8 O 0.9195(11) 0.2241(10) 0.0855(8) 0.051(3) Uani 1 1 d . . .
O9 O 0.8501(12) 0.2164(11) 0.6030(10) 0.070(3) Uani 1 1 d . . .
O10 O 0.7080(12) 0.1924(10) 0.3814(9) 0.058(3) Uani 1 1 d . . .
O11 O 0.8128(12) 0.0139(9) 0.4334(10) 0.062(3) Uani 1 1 d . . .
O12 O 0.7722(13) 0.3892(10) 0.6811(11) 0.076(4) Uani 1 1 d . . .
O13 O 1.0200(12) 0.5279(10) 0.8182(11) 0.080(4) Uani 1 1 d . . .
O14 O 1.1036(12) 0.3520(12) 0.7394(10) 0.075(4) Uani 1 1 d . . .
O15 O 0.9031(12) 0.2897(10) 0.8480(9) 0.059(3) Uani 1 1 d . . .
O16 O 0.6283(11) 0.3661(9) 0.4576(9) 0.050(3) Uani 1 1 d . . .
O17 O 0.7237(11) 0.6131(9) 0.4964(9) 0.052(3) Uani 1 1 d . . .
O18 O 0.5865(12) 0.4990(11) 0.6479(10) 0.069(3) Uani 1 1 d . . .
O19 O 0.6795(11) 0.4751(9) 0.2844(9) 0.053(3) Uani 1 1 d . . .
O20 O 0.5008(12) 0.2293(11) 0.2249(10) 0.074(4) Uani 1 1 d . . .
O21 O 0.9419(12) 0.7848(12) 0.4699(10) 0.072(4) Uani 1 1 d . . .
O22 O 0.6897(13) 0.7177(11) 0.3024(11) 0.077(4) Uani 1 1 d . . .
P1 P 1.0000 0.5000 0.5000 0.0247(9) Uani 1 2 d S . .
C1 C 1.042(9) 0.986(6) 1.226(6) 0.062(18) Uani 0.50 1 d P . .
H1A H 1.0313 0.9671 1.2983 0.075 Uiso 0.50 1 d PR . .
C2 C 0.942(8) 0.930(7) 1.114(5) 0.058(15) Uani 0.50 1 d P . .
H2A H 0.8541 0.8686 1.0976 0.070 Uiso 0.50 1 d PR . .
C3 C 0.999(6) 0.986(6) 1.029(4) 0.051(11) Uani 0.50 1 d P . .
C4 C 0.755(4) 0.847(4) 0.721(3) 0.060(9) Uani 0.50 1 d P . .
H4A H 0.6684 0.7839 0.6824 0.072 Uiso 0.50 1 d PR . .
C5 C 0.812(4) 0.870(4) 0.843(5) 0.051(9) Uani 0.50 1 d P . .
H5A H 0.7642 0.8228 0.8876 0.061 Uiso 0.50 1 d PR . .
C6 C 0.941(6) 0.964(5) 0.898(5) 0.055(11) Uani 0.50 1 d P . .
C7 C 1.015(7) 1.035(6) 0.833(6) 0.06(2) Uani 0.50 1 d P . .
H7A H 1.1016 1.0981 0.8714 0.068 Uiso 0.50 1 d PR . .
C8 C 0.958(7) 1.012(5) 0.711(4) 0.058(13) Uani 0.50 1 d P . .
H8A H 1.0058 1.0591 0.6659 0.070 Uiso 0.50 1 d PR . .
C9 C 0.215(11) 0.515(8) 1.041(9) 0.047(17) Uani 0.50 1 d P . .
H9A H 0.1523 0.5505 1.0503 0.056 Uiso 0.50 1 d PR . .
C10 C 0.350(7) 0.580(7) 1.022(6) 0.047(17) Uani 0.50 1 d P . .
H10 H 0.3895 0.6631 1.0166 0.056 Uiso 0.50 1 d PR . .
C11 C 0.407(10) 0.49(2) 1.014(14) 0.049(19) Uani 0.50 1 d P . .
C12 C 0.704(7) 0.420(8) 0.971(7) 0.046(14) Uani 0.50 1 d P . .
H12 H 0.7350 0.3547 0.9670 0.055 Uiso 0.50 1 d PR . .
C13 C 0.575(4) 0.402(5) 0.991(4) 0.050(11) Uani 0.50 1 d P . .
H13 H 0.5175 0.3257 1.0003 0.061 Uiso 0.50 1 d PR . .
C14 C 0.540(6) 0.504(11) 0.994(7) 0.05(2) Uani 0.50 1 d P . .
C15 C 0.613(5) 0.614(7) 0.981(5) 0.052(13) Uani 0.50 1 d P . .
H15 H 0.5825 0.6796 0.9843 0.062 Uiso 0.50 1 d PR . .
C16 C 0.745(7) 0.631(6) 0.961(5) 0.050(15) Uani 0.50 1 d P . .
H16 H 0.8025 0.7064 0.9509 0.060 Uiso 0.50 1 d PR . .
C17 C 0.421(5) 0.871(4) 0.253(5) 0.089(14) Uani 0.50 1 d P . .
H17 H 0.3785 0.8438 0.3096 0.107 Uiso 0.50 1 d PR . .
C18 C 0.37(3) 0.92(3) 0.16(2) 0.09(4) Uani 0.50 1 d P . .
H18 H 0.2871 0.9312 0.1414 0.102 Uiso 0.50 1 d PR . .
C19 C 0.468(5) 0.949(4) 0.099(5) 0.078(13) Uani 0.50 1 d P . .
C20 C 0.39(4) 1.08(3) -0.16(3) 0.08(4) Uani 0.50 1 d P . .
H20 H 0.3140 1.0968 -0.1943 0.097 Uiso 0.50 1 d PR . .
C21 C 0.390(4) 1.029(4) -0.059(5) 0.081(12) Uani 0.50 1 d P . .
H21 H 0.3151 1.0135 -0.0302 0.097 Uiso 0.50 1 d PR . .
C22 C 0.5000 1.0000 0.0000 0.077(8) Uani 1 2 d S . .
C23 C 0.609(5) 1.026(4) -0.048(5) 0.080(12) Uani 0.50 1 d P . .
H23 H 0.6842 1.0092 -0.0119 0.096 Uiso 0.50 1 d PR . .
C24 C 0.61(2) 1.08(3) -0.15(2) 0.07(3) Uani 0.50 1 d P . .
H24 H 0.6835 1.0925 -0.1755 0.084 Uiso 0.50 1 d PR . .
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'
O O 0.0106 0.0060 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O8 Mo1 O5 102.6(5) . .
O8 Mo1 O7 101.7(6) . .
O5 Mo1 O7 89.7(5) . .
O8 Mo1 O6 101.7(5) . .
O5 Mo1 O6 88.5(4) . .
O7 Mo1 O6 156.3(6) . .
O8 Mo1 O13 100.2(6) . 2_766
O5 Mo1 O13 157.3(5) . 2_766
O7 Mo1 O13 86.1(5) . 2_766
O6 Mo1 O13 86.5(5) . 2_766
O8 Mo1 O1 156.1(5) . .
O5 Mo1 O1 94.7(5) . .
O7 Mo1 O1 61.5(6) . .
O6 Mo1 O1 95.1(5) . .
O13 Mo1 O1 63.8(5) 2_766 .
O11 Mo2 O9 102.4(6) . .
O11 Mo2 O10 103.3(5) . .
O9 Mo2 O10 89.4(5) . .
O11 Mo2 O21 100.5(6) . 2_766
O9 Mo2 O21 87.9(5) . 2_766
O10 Mo2 O21 156.1(5) . 2_766
O11 Mo2 O5 101.3(5) . .
O9 Mo2 O5 156.3(5) . .
O10 Mo2 O5 87.2(4) . .
O21 Mo2 O5 85.8(5) 2_766 .
O11 Mo2 O4 157.2(6) . .
O9 Mo2 O4 65.7(5) . .
O10 Mo2 O4 96.2(5) . .
O21 Mo2 O4 61.2(6) 2_766 .
O5 Mo2 O4 91.3(5) . .
O11 Mo2 O3 160.3(5) . 2_766
O9 Mo2 O3 91.7(5) . 2_766
O10 Mo2 O3 62.6(5) . 2_766
O21 Mo2 O3 93.7(5) 2_766 2_766
O5 Mo2 O3 65.9(5) . 2_766
O4 Mo2 O3 42.3(5) . 2_766
O15 Mo3 O14 102.3(6) . .
O15 Mo3 O13 101.4(6) . .
O14 Mo3 O13 91.8(6) . .
O15 Mo3 O9 101.7(5) . .
O14 Mo3 O9 88.6(5) . .
O13 Mo3 O9 156.3(5) . .
O15 Mo3 O12 101.2(6) . .
O14 Mo3 O12 156.4(6) . .
O13 Mo3 O12 85.8(5) . .
O9 Mo3 O12 84.5(5) . .
O15 Mo3 O1 156.5(6) . 2_766
O14 Mo3 O1 96.7(6) . 2_766
O13 Mo3 O1 64.0(5) . 2_766
O9 Mo3 O1 92.4(6) . 2_766
O12 Mo3 O1 61.2(5) . 2_766
O15 Mo3 O4 158.1(6) . .
O14 Mo3 O4 63.0(6) . .
O13 Mo3 O4 95.4(6) . .
O9 Mo3 O4 63.7(5) . .
O12 Mo3 O4 93.9(6) . .
O1 Mo3 O4 45.3(5) 2_766 .
O18 Mo4 O12 102.7(7) . .
O18 Mo4 O7 101.2(6) . 2_766
O12 Mo4 O7 88.1(5) . 2_766
O18 Mo4 O16 103.4(5) . .
O12 Mo4 O16 90.1(5) . .
O7 Mo4 O16 155.1(6) 2_766 .
O18 Mo4 O17 101.5(6) . .
O12 Mo4 O17 155.8(6) . .
O7 Mo4 O17 85.4(5) 2_766 .
O16 Mo4 O17 86.1(4) . .
O18 Mo4 O1 158.1(6) . 2_766
O12 Mo4 O1 63.9(6) . 2_766
O7 Mo4 O1 62.8(6) 2_766 2_766
O16 Mo4 O1 94.3(5) . 2_766
O17 Mo4 O1 92.4(5) . 2_766
O18 Mo4 O2 160.1(6) . .
O12 Mo4 O2 93.1(6) . .
O7 Mo4 O2 91.3(6) 2_766 .
O16 Mo4 O2 64.0(5) . .
O17 Mo4 O2 63.8(5) . .
O1 Mo4 O2 41.6(5) 2_766 .
O20 Mo5 O19 101.4(5) . .
O20 Mo5 O16 101.7(6) . .
O19 Mo5 O16 88.4(4) . .
O20 Mo5 O6 101.2(6) . .
O19 Mo5 O6 89.3(4) . .
O16 Mo5 O6 156.9(5) . .
O20 Mo5 O10 100.7(6) . .
O19 Mo5 O10 157.9(5) . .
O16 Mo5 O10 86.3(4) . .
O6 Mo5 O10 87.3(4) . .
O20 Mo5 O3 159.8(6) . 2_766
O19 Mo5 O3 94.5(5) . 2_766
O16 Mo5 O3 91.0(5) . 2_766
O6 Mo5 O3 66.3(5) . 2_766
O10 Mo5 O3 64.2(5) . 2_766
O20 Mo5 O2 161.2(6) . .
O19 Mo5 O2 65.9(5) . .
O16 Mo5 O2 65.5(5) . .
O6 Mo5 O2 92.7(5) . .
O10 Mo5 O2 92.5(5) . .
O3 Mo5 O2 38.9(5) 2_766 .
O22 Mo6 O17 103.5(6) . .
O22 Mo6 O21 102.1(6) . .
O17 Mo6 O21 89.5(5) . .
O22 Mo6 O19 102.2(6) . .
O17 Mo6 O19 89.1(4) . .
O21 Mo6 O19 155.3(5) . .
O22 Mo6 O14 100.7(7) . 2_766
O17 Mo6 O14 155.8(6) . 2_766
O21 Mo6 O14 85.7(5) . 2_766
O19 Mo6 O14 85.6(4) . 2_766
O22 Mo6 O4 157.9(7) . 2_766
O17 Mo6 O4 92.4(5) . 2_766
O21 Mo6 O4 62.3(6) . 2_766
O19 Mo6 O4 93.1(5) . 2_766
O14 Mo6 O4 64.4(6) 2_766 2_766
O22 Mo6 O2 162.7(6) . .
O17 Mo6 O2 66.0(5) . .
O21 Mo6 O2 91.8(6) . .
O19 Mo6 O2 65.2(5) . .
O14 Mo6 O2 90.5(6) 2_766 .
O4 Mo6 O2 39.3(6) 2_766 .
C6 N1 C5 106(8) 2_777 2_777
C6 N1 C3 39(5) 2_777 .
C5 N1 C3 145(6) 2_777 .
C6 N1 N2 70(6) 2_777 .
C5 N1 N2 44(4) 2_777 .
C3 N1 N2 107(4) . .
C6 N1 C3 66(5) 2_777 2_777
C5 N1 C3 156(5) 2_777 2_777
C3 N1 C3 30(3) . 2_777
N2 N1 C3 137(4) . 2_777
C5 N2 C4 82(5) 2_777 2_777
C5 N2 C6 69(4) 2_777 2_777
C4 N2 C6 148(5) 2_777 2_777
C5 N2 N1 39(3) 2_777 .
C4 N2 N1 121(5) 2_777 .
C6 N2 N1 35(2) 2_777 .
C5 N2 C1 142(5) 2_777 .
C4 N2 C1 128(5) 2_777 .
C6 N2 C1 74(4) 2_777 .
N1 N2 C1 109(4) . .
C5 N2 N3 140(5) 2_777 2_777
C4 N2 N3 60(3) 2_777 2_777
C6 N2 N3 140(4) 2_777 2_777
N1 N2 N3 172(3) . 2_777
C1 N2 N3 68(4) . 2_777
C5 N2 C7 119(5) 2_777 2_777
C4 N2 C7 148(5) 2_777 2_777
C6 N2 C7 50(3) 2_777 2_777
N1 N2 C7 85(3) . 2_777
C1 N2 C7 24(3) . 2_777
N3 N2 C7 92(3) 2_777 2_777
C5 N2 C8 156(4) 2_777 2_777
C4 N2 C8 106(4) 2_777 2_777
C6 N2 C8 95(4) 2_777 2_777
N1 N2 C8 130(4) . 2_777
C1 N2 C8 21(3) . 2_777
N3 N2 C8 47(2) 2_777 2_777
C7 N2 C8 45(3) 2_777 2_777
C5 N2 H2 89.4 2_777 .
C4 N2 H2 14.6 2_777 .
C6 N2 H2 158.8 2_777 .
N1 N2 H2 125.7 . .
C1 N2 H2 125.6 . .
N3 N2 H2 57.7 2_777 .
C7 N2 H2 149.4 2_777 .
C8 N2 H2 104.5 2_777 .
C4 N3 C8 122(3) . .
C4 N3 N2 44(2) . 2_777
C8 N3 N2 78(3) . 2_777
C4 N3 C1 96(4) . 2_777
C8 N3 C1 26(4) . 2_777
N2 N3 C1 52(4) 2_777 2_777
C4 N3 H3 119.2 . .
C8 N3 H3 119.2 . .
N2 N3 H3 160.9 2_777 .
C1 N3 H3 144.8 2_777 .
C15 N4 C16 171(9) 2_667 2_667
C15 N4 C11 57(8) 2_667 .
C16 N4 C11 118(10) 2_667 .
C15 N4 N5 162(9) 2_667 .
C16 N4 N5 14(6) 2_667 .
C11 N4 N5 105(7) . .
C15 N4 C14 40(8) 2_667 2_667
C16 N4 C14 136(7) 2_667 2_667
C11 N4 C14 17(8) . 2_667
N5 N4 C14 122(5) . 2_667
C15 N4 N6 136(8) 2_667 2_667
C16 N4 N6 40(6) 2_667 2_667
C11 N4 N6 78(6) . 2_667
N5 N4 N6 27(4) . 2_667
C14 N4 N6 96(4) 2_667 2_667
C16 N5 N6 115(10) 2_667 2_667
C16 N5 C9 124(10) 2_667 .
N6 N5 C9 8(9) 2_667 .
C16 N5 N4 14(7) 2_667 .
N6 N5 N4 102(9) 2_667 .
C9 N5 N4 110(7) . .
C16 N5 H5 111.6 2_667 .
N6 N5 H5 132.8 2_667 .
C9 N5 H5 124.6 . .
N4 N5 H5 125.2 . .
C9 N6 N5 159(10) 2_667 2_667
C9 N6 C16 170(10) 2_667 .
N5 N6 C16 30(6) 2_667 .
C9 N6 C12 44(10) 2_667 .
N5 N6 C12 156(9) 2_667 .
C16 N6 C12 126(6) . .
C9 N6 C10 64(10) 2_667 2_667
N5 N6 C10 135(8) 2_667 2_667
C16 N6 C10 105(5) . 2_667
C12 N6 C10 21(4) . 2_667
C9 N6 N4 148(10) 2_667 2_667
N5 N6 N4 51(6) 2_667 2_667
C16 N6 N4 21(3) . 2_667
C12 N6 N4 105(5) . 2_667
C10 N6 N4 84(4) 2_667 2_667
C9 N6 H6 72.9 2_667 .
N5 N6 H6 87.2 2_667 .
C16 N6 H6 117.2 . .
C12 N6 H6 116.5 . .
C10 N6 H6 137.4 2_667 .
N4 N6 H6 138.4 2_667 .
C20 N7 N9 129(10) 2_675 2_675
C20 N7 C21 86(10) 2_675 2_675
N9 N7 C21 144(10) 2_675 2_675
C20 N7 N8 95(10) 2_675 .
N9 N7 N8 34(10) 2_675 .
C21 N7 N8 178(10) 2_675 .
C20 N7 C19 160(10) 2_675 .
N9 N7 C19 70(10) 2_675 .
C21 N7 C19 74(10) 2_675 .
N8 N7 C19 105(10) . .
N9 N8 N7 56(10) 2_675 .
N9 N8 C17 53(9) 2_675 .
N7 N8 C17 110(10) . .
N9 N8 C20 69(10) 2_675 2_675
N7 N8 C20 13(10) . 2_675
C17 N8 C20 122(10) . 2_675
N9 N8 H8 178.4 2_675 .
N7 N8 H8 125.2 . .
C17 N8 H8 125.0 . .
C20 N8 H8 112.6 2_675 .
N8 N9 C17 92(10) 2_675 2_675
N8 N9 N7 89(10) 2_675 2_675
C17 N9 N7 178(10) 2_675 2_675
N8 N9 C24 164(10) 2_675 .
C17 N9 C24 72(8) 2_675 .
N7 N9 C24 107(10) 2_675 .
N8 N9 C20 79(10) 2_675 .
C17 N9 C20 171(10) 2_675 .
N7 N9 C20 10(10) 2_675 .
C24 N9 C20 117(10) . .
N8 N9 C19 152(10) 2_675 2_675
C17 N9 C19 116(6) 2_675 2_675
N7 N9 C19 63(10) 2_675 2_675
C24 N9 C19 44(8) . 2_675
C20 N9 C19 73(10) . 2_675
N8 N9 C18 154(10) 2_675 2_675
C17 N9 C18 61(9) 2_675 2_675
N7 N9 C18 117(10) 2_675 2_675
C24 N9 C18 10(10) . 2_675
C20 N9 C18 128(10) . 2_675
C19 N9 C18 55(8) 2_675 2_675
N8 N9 H9 42.9 2_675 .
C17 N9 H9 49.5 2_675 .
N7 N9 H9 132.1 2_675 .
C24 N9 H9 121.1 . .
C20 N9 H9 121.8 . .
C19 N9 H9 165.3 2_675 .
C18 N9 H9 110.7 2_675 .
P1 O1 O2 51.0(7) . 2_766
P1 O1 Mo4 125.5(9) . 2_766
O2 O1 Mo4 74.5(8) 2_766 2_766
P1 O1 Mo1 121.1(9) . .
O2 O1 Mo1 132.1(10) 2_766 .
Mo4 O1 Mo1 94.8(6) 2_766 .
P1 O1 Mo3 120.0(8) . 2_766
O2 O1 Mo3 133.5(10) 2_766 2_766
Mo4 O1 Mo3 94.6(6) 2_766 2_766
Mo1 O1 Mo3 93.1(5) . 2_766
P1 O2 O3 58.8(8) . 2_766
P1 O2 O4 59.0(9) . 2_766
O3 O2 O4 98.5(12) 2_766 2_766
P1 O2 O1 59.3(8) . 2_766
O3 O2 O1 94.8(11) 2_766 2_766
O4 O2 O1 94.3(12) 2_766 2_766
P1 O2 Mo5 126.0(9) . .
O3 O2 Mo5 67.2(8) 2_766 .
O4 O2 Mo5 132.3(11) 2_766 .
O1 O2 Mo5 130.8(10) 2_766 .
P1 O2 Mo6 126.4(9) . .
O3 O2 Mo6 134.4(10) 2_766 .
O4 O2 Mo6 67.5(8) 2_766 .
O1 O2 Mo6 128.1(10) 2_766 .
Mo5 O2 Mo6 90.0(5) . .
P1 O2 Mo4 123.2(9) . .
O3 O2 Mo4 127.1(10) 2_766 .
O4 O2 Mo4 129.1(11) 2_766 .
O1 O2 Mo4 63.9(7) 2_766 .
Mo5 O2 Mo4 90.2(6) . .
Mo6 O2 Mo4 89.9(5) . .
P1 O3 O2 54.9(8) . 2_766
P1 O3 O4 54.8(8) . 2_766
O2 O3 O4 93.9(11) 2_766 2_766
P1 O3 Mo5 128.7(9) . 2_766
O2 O3 Mo5 73.9(8) 2_766 2_766
O4 O3 Mo5 139.8(10) 2_766 2_766
P1 O3 Mo2 123.0(8) . 2_766
O2 O3 Mo2 135.7(10) 2_766 2_766
O4 O3 Mo2 68.2(7) 2_766 2_766
Mo5 O3 Mo2 93.8(5) 2_766 2_766
P1 O4 O2 54.1(8) . 2_766
P1 O4 O3 53.9(7) . 2_766
O2 O4 O3 92.9(11) 2_766 2_766
P1 O4 Mo6 127.3(10) . 2_766
O2 O4 Mo6 73.2(8) 2_766 2_766
O3 O4 Mo6 138.0(11) 2_766 2_766
P1 O4 Mo2 123.3(10) . .
O2 O4 Mo2 137.7(11) 2_766 .
O3 O4 Mo2 69.4(8) 2_766 .
Mo6 O4 Mo2 94.3(6) 2_766 .
P1 O4 Mo3 119.7(9) . .
O2 O4 Mo3 129.1(11) 2_766 .
O3 O4 Mo3 125.2(10) 2_766 .
Mo6 O4 Mo3 92.1(6) 2_766 .
Mo2 O4 Mo3 90.7(6) . .
Mo1 O5 Mo2 138.9(6) . .
Mo5 O6 Mo1 138.3(6) . .
Mo1 O7 Mo4 140.2(8) . 2_766
Mo2 O9 Mo3 139.1(6) . .
Mo2 O10 Mo5 138.7(6) . .
Mo4 O12 Mo3 139.7(7) . .
Mo3 O13 Mo1 139.1(7) . 2_766
Mo3 O14 Mo6 140.2(7) . 2_766
Mo5 O16 Mo4 139.7(6) . .
Mo6 O17 Mo4 139.5(6) . .
Mo5 O19 Mo6 137.9(6) . .
Mo6 O21 Mo2 141.5(8) . 2_766
O2 P1 O2 180.000(3) . 2_766
O2 P1 O3 113.7(9) . .
O2 P1 O3 66.3(9) 2_766 .
O2 P1 O3 66.3(9) . 2_766
O2 P1 O3 113.7(9) 2_766 2_766
O3 P1 O3 180.000(3) . 2_766
O2 P1 O4 113.1(9) . .
O2 P1 O4 66.9(9) 2_766 .
O3 P1 O4 108.6(9) . .
O3 P1 O4 71.4(9) 2_766 .
O2 P1 O4 66.9(9) . 2_766
O2 P1 O4 113.1(9) 2_766 2_766
O3 P1 O4 71.4(9) . 2_766
O3 P1 O4 108.6(9) 2_766 2_766
O4 P1 O4 180.0(12) . 2_766
O2 P1 O1 69.6(9) . 2_766
O2 P1 O1 110.4(9) 2_766 2_766
O3 P1 O1 74.6(8) . 2_766
O3 P1 O1 105.4(8) 2_766 2_766
O4 P1 O1 75.0(9) . 2_766
O4 P1 O1 105.0(9) 2_766 2_766
O2 P1 O1 110.4(9) . .
O2 P1 O1 69.6(9) 2_766 .
O3 P1 O1 105.4(8) . .
O3 P1 O1 74.6(8) 2_766 .
O4 P1 O1 105.0(9) . .
O4 P1 O1 75.0(9) 2_766 .
O1 P1 O1 180.000(4) 2_766 .
C8 C1 C7 135(10) 2_777 2_777
C8 C1 N2 115(10) 2_777 .
C7 C1 N2 106(10) 2_777 .
C8 C1 C2 136(10) 2_777 .
C7 C1 C2 9(7) 2_777 .
N2 C1 C2 108(9) . .
C8 C1 N3 55(9) 2_777 2_777
C7 C1 N3 159(8) 2_777 2_777
N2 C1 N3 60(4) . 2_777
C2 C1 N3 166(9) . 2_777
C8 C1 C6 160(9) 2_777 2_777
C7 C1 C6 54(8) 2_777 2_777
N2 C1 C6 52(4) . 2_777
C2 C1 C6 56(6) . 2_777
N3 C1 C6 110(6) 2_777 2_777
C8 C1 H1A 14.2 2_777 .
C7 C1 H1A 126.9 2_777 .
N2 C1 H1A 126.3 . .
C2 C1 H1A 126.0 . .
N3 C1 H1A 66.9 2_777 .
C6 C1 H1A 173.2 2_777 .
C7 C2 C1 10(9) 2_777 .
C7 C2 C3 106(10) 2_777 .
C1 C2 C3 107(8) . .
C7 C2 C6 69(10) 2_777 2_777
C1 C2 C6 71(6) . 2_777
C3 C2 C6 37(3) . 2_777
C7 C2 C8 17(10) 2_777 2_777
C1 C2 C8 15(6) . 2_777
C3 C2 C8 122(5) . 2_777
C6 C2 C8 85(4) 2_777 2_777
C7 C2 H2A 127.3 2_777 .
C1 C2 H2A 126.3 . .
C3 C2 H2A 126.2 . .
C6 C2 H2A 161.3 2_777 .
C8 C2 H2A 111.8 2_777 .
C3 C3 C6 118(10) 2_777 2_777
C3 C3 N1 89(9) 2_777 .
C6 C3 N1 35(5) 2_777 .
C3 C3 C2 158(10) 2_777 .
C6 C3 C2 76(5) 2_777 .
N1 C3 C2 109(4) . .
C3 C3 C6 33(7) 2_777 .
C6 C3 C6 151(6) 2_777 .
N1 C3 C6 120(3) . .
C2 C3 C6 131(5) . .
C3 C3 N1 60(8) 2_777 2_777
C6 C3 N1 162(5) 2_777 2_777
N1 C3 N1 150(3) . 2_777
C2 C3 N1 101(5) . 2_777
C6 C3 N1 31(2) . 2_777
C3 C3 C7 163(9) 2_777 2_777
C6 C3 C7 54(5) 2_777 2_777
N1 C3 C7 87(4) . 2_777
C2 C3 C7 22(3) . 2_777
C6 C3 C7 153(5) . 2_777
N1 C3 C7 122(4) 2_777 2_777
N2 C4 N3 76(4) 2_777 .
N2 C4 C5 45(3) 2_777 .
N3 C4 C5 119(4) . .
N2 C4 H4A 160.4 2_777 .
N3 C4 H4A 120.4 . .
C5 C4 H4A 120.3 . .
N1 C5 N2 97(6) 2_777 2_777
N1 C5 C6 36(4) 2_777 .
N2 C5 C6 68(4) 2_777 .
N1 C5 C4 148(7) 2_777 .
N2 C5 C4 53(4) 2_777 .
C6 C5 C4 119(5) . .
N1 C5 H5A 87.7 2_777 .
N2 C5 H5A 164.6 2_777 .
C6 C5 H5A 120.4 . .
C4 C5 H5A 120.3 . .
N1 C6 C3 106(9) 2_777 2_777
N1 C6 N2 74(6) 2_777 2_777
C3 C6 N2 160(6) 2_777 2_777
N1 C6 C5 38(5) 2_777 .
C3 C6 C5 144(8) 2_777 .
N2 C6 C5 42(2) 2_777 .
N1 C6 C7 152(7) 2_777 .
C3 C6 C7 94(7) 2_777 .
N2 C6 C7 80(4) 2_777 .
C5 C6 C7 121(5) . .
N1 C6 C2 160(7) 2_777 2_777
C3 C6 C2 67(5) 2_777 2_777
N2 C6 C2 106(5) 2_777 2_777
C5 C6 C2 148(5) . 2_777
C7 C6 C2 27(3) . 2_777
N1 C6 C3 83(6) 2_777 .
C3 C6 C3 29(6) 2_777 .
N2 C6 C3 157(5) 2_777 .
C5 C6 C3 118(5) . .
C7 C6 C3 121(6) . .
C2 C6 C3 95(5) 2_777 .
N1 C6 C1 127(7) 2_777 2_777
C3 C6 C1 119(7) 2_777 2_777
N2 C6 C1 54(4) 2_777 2_777
C5 C6 C1 95(5) . 2_777
C7 C6 C1 26(4) . 2_777
C2 C6 C1 52(3) 2_777 2_777
C3 C6 C1 147(5) . 2_777
C2 C7 C1 161(10) 2_777 2_777
C2 C7 C6 85(10) 2_777 .
C1 C7 C6 99(10) 2_777 .
C2 C7 C8 155(10) 2_777 .
C1 C7 C8 22(10) 2_777 .
C6 C7 C8 119(6) . .
C2 C7 C3 52(10) 2_777 2_777
C1 C7 C3 129(10) 2_777 2_777
C6 C7 C3 32(3) . 2_777
C8 C7 C3 151(6) . 2_777
C2 C7 N2 132(10) 2_777 2_777
C1 C7 N2 50(9) 2_777 2_777
C6 C7 N2 50(3) . 2_777
C8 C7 N2 70(4) . 2_777
C3 C7 N2 81(4) 2_777 2_777
C2 C7 H7A 36.4 2_777 .
C1 C7 H7A 139.3 2_777 .
C6 C7 H7A 120.3 . .
C8 C7 H7A 120.2 . .
C3 C7 H7A 88.3 2_777 .
N2 C7 H7A 167.5 2_777 .
C1 C8 N3 98(10) 2_777 .
C1 C8 C7 23(10) 2_777 .
N3 C8 C7 119(5) . .
C1 C8 N2 44(10) 2_777 2_777
N3 C8 N2 55(3) . 2_777
C7 C8 N2 65(3) . 2_777
C1 C8 C2 29(10) 2_777 2_777
N3 C8 C2 127(4) . 2_777
C7 C8 C2 8(4) . 2_777
N2 C8 C2 72(3) 2_777 2_777
C1 C8 H8A 139.8 2_777 .
N3 C8 H8A 120.5 . .
C7 C8 H8A 120.4 . .
N2 C8 H8A 171.6 2_777 .
C2 C8 H8A 112.7 2_777 .
N6 C9 C12 113(10) 2_667 2_667
N6 C9 N5 12(10) 2_667 .
C12 C9 N5 124(10) 2_667 .
N6 C9 C10 95(10) 2_667 .
C12 C9 C10 18(7) 2_667 .
N5 C9 C10 107(7) . .
N6 C9 C16 7(10) 2_667 2_667
C12 C9 C16 106(8) 2_667 2_667
N5 C9 C16 19(4) . 2_667
C10 C9 C16 88(5) . 2_667
N6 C9 H9A 138.8 2_667 .
C12 C9 H9A 108.5 2_667 .
N5 C9 H9A 127.1 . .
C10 C9 H9A 126.2 . .
C16 C9 H9A 145.8 2_667 .
C12 C10 C13 165(10) 2_667 2_667
C12 C10 C11 135(10) 2_667 .
C13 C10 C11 60(6) 2_667 .
C12 C10 C9 29(10) 2_667 .
C13 C10 C9 166(8) 2_667 .
C11 C10 C9 106(8) . .
C12 C10 N6 50(10) 2_667 2_667
C13 C10 N6 145(7) 2_667 2_667
C11 C10 N6 85(8) . 2_667
C9 C10 N6 21(3) . 2_667
C12 C10 C14 150(10) 2_667 2_667
C13 C10 C14 45(6) 2_667 2_667
C11 C10 C14 15(10) . 2_667
C9 C10 C14 120(6) . 2_667
N6 C10 C14 100(5) 2_667 2_667
C12 C10 H10 98.3 2_667 .
C13 C10 H10 66.7 2_667 .
C11 C10 H10 126.9 . .
C9 C10 H10 127.5 . .
N6 C10 H10 148.1 2_667 .
C14 C10 H10 112.1 2_667 .
C14 C11 C15 88(10) 2_667 2_667
C14 C11 C13 93(10) 2_667 2_667
C15 C11 C13 179(10) 2_667 2_667
C14 C11 C10 129(10) 2_667 .
C15 C11 C10 143(9) 2_667 .
C13 C11 C10 36(6) 2_667 .
C14 C11 N4 119(10) 2_667 .
C15 C11 N4 31(6) 2_667 .
C13 C11 N4 149(7) 2_667 .
C10 C11 N4 112(5) . .
C14 C11 C14 1(10) 2_667 .
C15 C11 C14 88(6) 2_667 .
C13 C11 C14 93(7) 2_667 .
C10 C11 C14 129(10) . .
N4 C11 C14 119(10) . .
C14 C11 C12 143(10) 2_667 2_667
C15 C11 C12 129(9) 2_667 2_667
C13 C11 C12 50(6) 2_667 2_667
C10 C11 C12 14(5) . 2_667
N4 C11 C12 99(4) . 2_667
C14 C11 C12 143(10) . 2_667
C14 C11 C16 139(10) 2_667 2_667
C15 C11 C16 51(7) 2_667 2_667
C13 C11 C16 128(6) 2_667 2_667
C10 C11 C16 92(5) . 2_667
N4 C11 C16 20(2) . 2_667
C14 C11 C16 139(10) . 2_667
C12 C11 C16 78(4) 2_667 2_667
C10 C12 C9 133(10) 2_667 2_667
C10 C12 N6 109(10) 2_667 .
C9 C12 N6 24(6) 2_667 .
C10 C12 C13 9(10) 2_667 .
C9 C12 C13 142(10) 2_667 .
N6 C12 C13 118(7) . .
C10 C12 C11 32(10) 2_667 2_667
C9 C12 C11 101(10) 2_667 2_667
N6 C12 C11 78(8) . 2_667
C13 C12 C11 40(6) . 2_667
C10 C12 H12 129.3 2_667 .
C9 C12 H12 97.7 2_667 .
N6 C12 H12 121.4 . .
C13 C12 H12 120.7 . .
C11 C12 H12 160.9 2_667 .
C10 C13 C11 83(7) 2_667 2_667
C10 C13 C14 109(7) 2_667 .
C11 C13 C14 26(5) 2_667 .
C10 C13 C12 7(7) 2_667 .
C11 C13 C12 90(6) 2_667 .
C14 C13 C12 116(7) . .
C10 C13 C14 133(6) 2_667 2_667
C11 C13 C14 49(3) 2_667 2_667
C14 C13 C14 23(5) . 2_667
C12 C13 C14 139(5) . 2_667
C10 C13 H13 128.9 2_667 .
C11 C13 H13 147.6 2_667 .
C14 C13 H13 121.8 . .
C12 C13 H13 122.4 . .
C14 C13 H13 98.4 2_667 .
C11 C14 C14 179(10) 2_667 2_667
C11 C14 C15 65(10) 2_667 .
C14 C14 C15 115(10) 2_667 .
C11 C14 C13 62(10) 2_667 .
C14 C14 C13 119(10) 2_667 .
C15 C14 C13 126(5) . .
C11 C14 C11 179(10) 2_667 .
C14 C14 C11 0(10) 2_667 .
C15 C14 C11 115(6) . .
C13 C14 C11 119(5) . .
C11 C14 N4 44(10) 2_667 2_667
C14 C14 N4 136(10) 2_667 2_667
C15 C14 N4 21(3) . 2_667
C13 C14 N4 106(4) . 2_667
C11 C14 N4 136(5) . 2_667
C11 C14 C10 36(10) 2_667 2_667
C14 C14 C10 144(10) 2_667 2_667
C15 C14 C10 101(5) . 2_667
C13 C14 C10 25(3) . 2_667
C11 C14 C10 144(5) . 2_667
N4 C14 C10 80(4) 2_667 2_667
C11 C14 C15 141(10) 2_667 2_667
C14 C14 C15 40(10) 2_667 2_667
C15 C14 C15 155(6) . 2_667
C13 C14 C15 79(6) . 2_667
C11 C14 C15 39(8) . 2_667
N4 C14 C15 175(6) 2_667 2_667
C10 C14 C15 104(7) 2_667 2_667
C11 C14 C13 142(10) 2_667 2_667
C14 C14 C13 38(10) 2_667 2_667
C15 C14 C13 77(6) . 2_667
C13 C14 C13 157(5) . 2_667
C11 C14 C13 38(7) . 2_667
N4 C14 C13 98(5) 2_667 2_667
C10 C14 C13 178(6) 2_667 2_667
C15 C14 C13 78(3) 2_667 2_667
N4 C15 C11 92(8) 2_667 2_667
N4 C15 C14 119(10) 2_667 .
C11 C15 C14 27(5) 2_667 .
N4 C15 C16 4(5) 2_667 .
C11 C15 C16 90(6) 2_667 .
C14 C15 C16 117(8) . .
N4 C15 C14 144(8) 2_667 2_667
C11 C15 C14 53(4) 2_667 2_667
C14 C15 C14 25(6) . 2_667
C16 C15 C14 142(7) . 2_667
N4 C15 H15 119.1 2_667 .
C11 C15 H15 149.0 2_667 .
C14 C15 H15 121.9 . .
C16 C15 H15 121.1 . .
C14 C15 H15 96.4 2_667 .
N5 C16 N4 152(10) 2_667 2_667
N5 C16 N6 35(8) 2_667 .
N4 C16 N6 118(9) 2_667 .
N5 C16 C15 151(10) 2_667 .
N4 C16 C15 4(4) 2_667 .
N6 C16 C15 117(8) . .
N5 C16 C11 112(10) 2_667 2_667
N4 C16 C11 41(9) 2_667 2_667
N6 C16 C11 78(7) . 2_667
C15 C16 C11 39(7) . 2_667
N5 C16 C9 38(8) 2_667 2_667
N4 C16 C9 115(8) 2_667 2_667
N6 C16 C9 3(6) . 2_667
C15 C16 C9 114(7) . 2_667
C11 C16 C9 74(7) 2_667 2_667
N5 C16 H16 86.8 2_667 .
N4 C16 H16 120.2 2_667 .
N6 C16 H16 121.2 . .
C15 C16 H16 122.2 . .
C11 C16 H16 161.3 2_667 .
C9 C16 H16 124.3 2_667 .
N9 C17 C18 74(9) 2_675 .
N9 C17 N8 34(4) 2_675 .
C18 C17 N8 108(10) . .
N9 C17 C24 62(8) 2_675 2_675
C18 C17 C24 12(10) . 2_675
N8 C17 C24 96(8) . 2_675
N9 C17 H17 160.3 2_675 .
C18 C17 H17 125.8 . .
N8 C17 H17 126.2 . .
C24 C17 H17 137.5 2_675 .
C24 C18 C19 8(10) 2_675 .
C24 C18 C17 100(10) 2_675 .
C19 C18 C17 106(10) . .
C24 C18 N9 55(10) 2_675 2_675
C19 C18 N9 61(10) . 2_675
C17 C18 N9 45(9) . 2_675
C24 C18 C23 48(10) 2_675 2_675
C19 C18 C23 41(6) . 2_675
C17 C18 C23 147(10) . 2_675
N9 C18 C23 102(10) 2_675 2_675
C24 C18 H18 133.0 2_675 .
C19 C18 H18 127.1 . .
C17 C18 H18 127.2 . .
N9 C18 H18 172.2 2_675 .
C23 C18 H18 85.7 2_675 .
C23 C19 C24 80(10) 2_675 2_675
C23 C19 C18 78(10) 2_675 .
C24 C19 C18 2(10) 2_675 .
C23 C19 N7 170(10) 2_675 .
C24 C19 N7 110(10) 2_675 .
C18 C19 N7 112(10) . .
C23 C19 C22 65(5) 2_675 .
C24 C19 C22 145(10) 2_675 .
C18 C19 C22 143(10) . .
N7 C19 C22 105(10) . .
C23 C19 N9 143(7) 2_675 2_675
C24 C19 N9 63(10) 2_675 2_675
C18 C19 N9 65(10) . 2_675
N7 C19 N9 47(10) . 2_675
C22 C19 N9 152(5) . 2_675
C23 C19 C21 118(7) 2_675 2_675
C24 C19 C21 162(10) 2_675 2_675
C18 C19 C21 164(10) . 2_675
N7 C19 C21 52(10) . 2_675
C22 C19 C21 53(3) . 2_675
N9 C19 C21 99(4) 2_675 2_675
C23 C19 C20 166(10) 2_675 2_675
C24 C19 C20 114(10) 2_675 2_675
C18 C19 C20 115(10) . 2_675
N7 C19 C20 4(10) . 2_675
C22 C19 C20 101(10) . 2_675
N9 C19 C20 51(10) 2_675 2_675
C21 C19 C20 48(10) 2_675 2_675
N7 C20 C21 80(10) 2_675 .
N7 C20 N9 41(10) 2_675 .
C21 C20 N9 121(10) . .
N7 C20 N8 73(10) 2_675 2_675
C21 C20 N8 153(10) . 2_675
N9 C20 N8 32(9) . 2_675
N7 C20 C19 17(10) 2_675 2_675
C21 C20 C19 64(10) . 2_675
N9 C20 C19 56(10) . 2_675
N8 C20 C19 88(10) 2_675 2_675
N7 C20 H20 159.2 2_675 .
C21 C20 H20 120.3 . .
N9 C20 H20 119.2 . .
N8 C20 H20 87.1 2_675 .
C19 C20 H20 175.4 2_675 .
N7 C21 C20 13(10) 2_675 .
N7 C21 C22 110(10) 2_675 .
C20 C21 C22 123(10) . .
N7 C21 C23 167(10) 2_675 2_675
C20 C21 C23 180(10) . 2_675
C22 C21 C23 57(3) . 2_675
N7 C21 C19 54(10) 2_675 2_675
C20 C21 C19 68(10) . 2_675
C22 C21 C19 56(3) . 2_675
C23 C21 C19 113(4) 2_675 2_675
N7 C21 H21 131.6 2_675 .
C20 C21 H21 118.2 . .
C22 C21 H21 118.8 . .
C23 C21 H21 61.6 2_675 .
C19 C21 H21 174.3 2_675 .
C23 C22 C23 180.000(8) 2_675 .
C23 C22 C21 65(3) 2_675 .
C23 C22 C21 115(3) . .
C23 C22 C21 115(3) 2_675 2_675
C23 C22 C21 65(3) . 2_675
C21 C22 C21 180(3) . 2_675
C23 C22 C19 44(3) 2_675 .
C23 C22 C19 136(3) . .
C21 C22 C19 109(3) . .
C21 C22 C19 71(3) 2_675 .
C23 C22 C19 136(3) 2_675 2_675
C23 C22 C19 44(3) . 2_675
C21 C22 C19 71(3) . 2_675
C21 C22 C19 109(3) 2_675 2_675
C19 C22 C19 180.000(9) . 2_675
C19 C23 C24 51(10) 2_675 .
C19 C23 C22 71(5) 2_675 .
C24 C23 C22 122(9) . .
C19 C23 C21 129(6) 2_675 2_675
C24 C23 C21 180(10) . 2_675
C22 C23 C21 58(3) . 2_675
C19 C23 C18 60(9) 2_675 2_675
C24 C23 C18 10(10) . 2_675
C22 C23 C18 132(10) . 2_675
C21 C23 C18 170(10) 2_675 2_675
C19 C23 H23 170.6 2_675 .
C24 C23 H23 119.5 . .
C22 C23 H23 118.4 . .
C21 C23 H23 60.4 2_675 .
C18 C23 H23 110.1 2_675 .
C18 C24 C19 170(10) 2_675 2_675
C18 C24 C23 123(10) 2_675 .
C19 C24 C23 49(9) 2_675 .
C18 C24 N9 115(10) 2_675 .
C19 C24 N9 73(10) 2_675 .
C23 C24 N9 122(10) . .
C18 C24 C17 69(10) 2_675 2_675
C19 C24 C17 119(10) 2_675 2_675
C23 C24 C17 168(10) . 2_675
N9 C24 C17 46(8) . 2_675
C18 C24 H24 7.7 2_675 .
C19 C24 H24 167.9 2_675 .
C23 C24 H24 118.7 . .
N9 C24 H24 119.3 . .
C17 C24 H24 73.0 2_675 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O8 1.659(9) .
Mo1 O5 1.873(10) .
Mo1 O7 1.876(12) .
Mo1 O6 1.901(11) .
Mo1 O13 1.922(11) 2_766
Mo1 O1 2.442(17) .
Mo2 O11 1.644(9) .
Mo2 O9 1.865(11) .
Mo2 O10 1.883(11) .
Mo2 O21 1.894(12) 2_766
Mo2 O5 1.913(10) .
Mo2 O4 2.464(18) .
Mo2 O3 2.483(15) 2_766
Mo3 O15 1.653(9) .
Mo3 O14 1.838(13) .
Mo3 O13 1.876(12) .
Mo3 O9 1.922(11) .
Mo3 O12 1.933(12) .
Mo3 O1 2.457(15) 2_766
Mo3 O4 2.523(18) .
Mo4 O18 1.633(10) .
Mo4 O12 1.851(11) .
Mo4 O7 1.893(11) 2_766
Mo4 O16 1.911(10) .
Mo4 O17 1.948(10) .
Mo4 O1 2.375(17) 2_766
Mo4 O2 2.547(17) .
Mo5 O20 1.652(10) .
Mo5 O19 1.870(10) .
Mo5 O16 1.891(9) .
Mo5 O6 1.897(10) .
Mo5 O10 1.920(10) .
Mo5 O3 2.391(16) 2_766
Mo5 O2 2.491(18) .
Mo6 O22 1.645(10) .
Mo6 O17 1.851(10) .
Mo6 O21 1.892(11) .
Mo6 O19 1.912(10) .
Mo6 O14 1.940(11) 2_766
Mo6 O4 2.411(18) 2_766
Mo6 O2 2.499(16) .
N1 C6 0.84(5) 2_777
N1 C5 0.89(4) 2_777
N1 C3 1.40(8) .
N1 N2 1.40(6) .
N1 C3 1.61(8) 2_777
N2 C5 0.99(4) 2_777
N2 C4 1.11(5) 2_777
N2 C6 1.37(6) 2_777
N2 C1 1.40(11) .
N2 N3 1.54(5) 2_777
N2 C7 1.77(7) 2_777
N2 C8 1.85(7) 2_777
N2 H2 0.8600 .
N3 C4 1.38(4) .
N3 C8 1.38(7) .
N3 N2 1.54(5) 2_777
N3 C1 1.66(7) 2_777
N3 H3 0.8600 .
N4 C15 0.72(4) 2_667
N4 C16 0.74(4) 2_667
N4 C11 1.4(2) .
N4 N5 1.44(6) .
N4 C14 1.77(9) 2_667
N4 N6 1.80(7) 2_667
N5 C16 0.74(5) 2_667
N5 N6 0.83(7) 2_667
N5 C9 1.39(7) .
N5 H5 0.8600 .
N6 C9 0.58(7) 2_667
N6 N5 0.83(7) 2_667
N6 C16 1.32(7) .
N6 C12 1.33(12) .
N6 C10 1.65(10) 2_667
N6 N4 1.80(7) 2_667
N6 H6 0.8600 .
N7 C20 0.3(5) 2_675
N7 N9 1.2(3) 2_675
N7 C21 1.4(4) 2_675
N7 N8 1.4(4) .
N7 C19 1.4(2) .
N8 N9 0.79(5) 2_675
N8 C17 1.41(9) .
N8 C20 1.5(4) 2_675
N8 H8 0.8600 .
N9 N8 0.79(5) 2_675
N9 C17 1.13(8) 2_675
N9 N7 1.2(3) 2_675
N9 C24 1.4(2) .
N9 C20 1.4(4) .
N9 C19 1.49(9) 2_675
N9 C18 1.5(3) 2_675
N9 H9 0.8600 .
O1 P1 1.610(16) .
O1 O2 1.76(2) 2_766
O1 Mo4 2.375(17) 2_766
O1 Mo3 2.457(15) 2_766
O2 P1 1.456(17) .
O2 O3 1.63(2) 2_766
O2 O4 1.65(2) 2_766
O2 O1 1.76(2) 2_766
O3 P1 1.523(16) .
O3 O2 1.63(2) 2_766
O3 O4 1.79(2) 2_766
O3 Mo5 2.391(16) 2_766
O3 Mo2 2.483(15) 2_766
O4 P1 1.540(17) .
O4 O2 1.65(2) 2_766
O4 O3 1.79(2) 2_766
O4 Mo6 2.411(18) 2_766
O7 Mo4 1.893(11) 2_766
O13 Mo1 1.922(11) 2_766
O14 Mo6 1.940(11) 2_766
O21 Mo2 1.894(12) 2_766
P1 O2 1.456(17) 2_766
P1 O3 1.523(16) 2_766
P1 O4 1.540(17) 2_766
P1 O1 1.610(16) 2_766
C1 C8 0.74(7) 2_777
C1 C7 0.76(6) 2_777
C1 C2 1.41(7) .
C1 N3 1.66(7) 2_777
C1 C6 1.68(9) 2_777
C1 H1A 0.9300 .
C2 C7 0.67(6) 2_777
C2 C3 1.41(9) .
C2 C6 1.48(11) 2_777
C2 C8 2.01(8) 2_777
C2 H2A 0.9300 .
C3 C3 0.81(7) 2_777
C3 C6 0.92(6) 2_777
C3 C6 1.49(8) .
C3 N1 1.61(8) 2_777
C3 C7 1.71(7) 2_777
C4 N2 1.11(5) 2_777
C4 C5 1.38(6) .
C4 H4A 0.9300 .
C5 N1 0.89(4) 2_777
C5 N2 0.99(4) 2_777
C5 C6 1.38(7) .
C5 H5A 0.9300 .
C6 N1 0.84(5) 2_777
C6 C3 0.92(6) 2_777
C6 N2 1.37(6) 2_777
C6 C7 1.38(8) .
C6 C2 1.48(11) 2_777
C6 C1 1.68(9) 2_777
C7 C2 0.67(6) 2_777
C7 C1 0.76(6) 2_777
C7 C8 1.38(7) .
C7 C3 1.71(7) 2_777
C7 N2 1.77(7) 2_777
C7 H7A 0.9300 .
C8 C1 0.74(7) 2_777
C8 N2 1.85(7) 2_777
C8 C2 2.01(8) 2_777
C8 H8A 0.9300 .
C9 N6 0.58(7) 2_667
C9 C12 1.00(11) 2_667
C9 C10 1.49(13) .
C9 C16 1.90(8) 2_667
C9 H9A 0.9300 .
C10 C12 0.62(6) 2_667
C10 C13 0.82(6) 2_667
C10 C11 1.4(2) .
C10 N6 1.65(10) 2_667
C10 C14 1.81(9) 2_667
C10 H10 0.9300 .
C11 C14 0.60(9) 2_667
C11 C15 1.2(2) 2_667
C11 C13 1.2(2) 2_667
C11 C14 1.48(6) .
C11 C12 1.87(18) 2_667
C11 C16 1.88(17) 2_667
C12 C10 0.62(6) 2_667
C12 C9 1.00(11) 2_667
C12 C13 1.43(6) .
C12 C11 1.87(18) 2_667
C12 H12 0.9300 .
C13 C10 0.82(6) 2_667
C13 C11 1.2(2) 2_667
C13 C14 1.37(14) .
C13 C14 1.95(8) 2_667
C13 H13 0.9300 .
C14 C11 0.60(9) 2_667
C14 C14 0.88(10) 2_667
C14 C15 1.31(14) .
C14 N4 1.77(9) 2_667
C14 C10 1.81(9) 2_667
C14 C15 1.86(9) 2_667
C14 C13 1.95(8) 2_667
C15 N4 0.72(4) 2_667
C15 C11 1.2(2) 2_667
C15 C16 1.46(6) .
C15 C14 1.86(9) 2_667
C15 H15 0.9300 .
C16 N5 0.74(5) 2_667
C16 N4 0.74(4) 2_667
C16 C11 1.88(18) 2_667
C16 C9 1.90(8) 2_667
C16 H16 0.9300 .
C17 N9 1.13(8) 2_675
C17 C18 1.4(3) .
C17 C24 1.5(2) 2_675
C17 H17 0.9300 .
C18 C24 0.3(3) 2_675
C18 C19 1.39(17) .
C18 N9 1.5(3) 2_675
C18 C23 1.6(2) 2_675
C18 H18 0.9300 .
C19 C23 1.06(6) 2_675
C19 C24 1.09(19) 2_675
C19 C22 1.45(7) .
C19 N9 1.49(9) 2_675
C19 C21 1.66(7) 2_675
C19 C20 1.7(3) 2_675
C20 N7 0.3(5) 2_675
C20 C21 1.4(4) .
C20 N8 1.5(4) 2_675
C20 C19 1.7(3) 2_675
C20 H20 0.9300 .
C21 N7 1.4(4) 2_675
C21 C22 1.40(5) .
C21 C23 1.50(7) 2_675
C21 C19 1.66(7) 2_675
C21 H21 0.9300 .
C22 C23 1.39(5) 2_675
C22 C23 1.39(5) .
C22 C21 1.40(5) 2_675
C22 C19 1.45(7) 2_675
C23 C19 1.06(6) 2_675
C23 C24 1.4(2) .
C23 C21 1.50(7) 2_675
C23 C18 1.6(2) 2_675
C23 H23 0.9300 .
C24 C18 0.3(3) 2_675
C24 C19 1.09(19) 2_675
C24 C17 1.5(2) 2_675
C24 H24 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
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C6 N1 N2 C5 -141(7) 2_777 . . 2_777
C3 N1 N2 C5 -155(6) . . . 2_777
C3 N1 N2 C5 -145(7) 2_777 . . 2_777
C6 N1 N2 C4 -150(5) 2_777 . . 2_777
C5 N1 N2 C4 -9(5) 2_777 . . 2_777
C3 N1 N2 C4 -163(4) . . . 2_777
C3 N1 N2 C4 -154(5) 2_777 . . 2_777
C5 N1 N2 C6 141(7) 2_777 . . 2_777
C3 N1 N2 C6 -13(4) . . . 2_777
C3 N1 N2 C6 -4(4) 2_777 . . 2_777
C6 N1 N2 C1 13(6) 2_777 . . .
C5 N1 N2 C1 155(6) 2_777 . . .
C3 N1 N2 C1 0(5) . . . .
C3 N1 N2 C1 9(6) 2_777 . . .
C6 N1 N2 N3 -54(31) 2_777 . . 2_777
C5 N1 N2 N3 88(30) 2_777 . . 2_777
C3 N1 N2 N3 -67(31) . . . 2_777
C3 N1 N2 N3 -58(32) 2_777 . . 2_777
C6 N1 N2 C7 10(5) 2_777 . . 2_777
C5 N1 N2 C7 151(5) 2_777 . . 2_777
C3 N1 N2 C7 -4(4) . . . 2_777
C3 N1 N2 C7 6(5) 2_777 . . 2_777
C6 N1 N2 C8 9(6) 2_777 . . 2_777
C5 N1 N2 C8 150(6) 2_777 . . 2_777
C3 N1 N2 C8 -5(5) . . . 2_777
C3 N1 N2 C8 4(7) 2_777 . . 2_777
C15 N4 N5 C16 -151(31) 2_667 . . 2_667
C11 N4 N5 C16 -162(22) . . . 2_667
C14 N4 N5 C16 -162(21) 2_667 . . 2_667
N6 N4 N5 C16 -160(21) 2_667 . . 2_667
C15 N4 N5 N6 9(25) 2_667 . . 2_667
C16 N4 N5 N6 160(21) 2_667 . . 2_667
C11 N4 N5 N6 -2(9) . . . 2_667
C14 N4 N5 N6 -2(7) 2_667 . . 2_667
C15 N4 N5 C9 11(27) 2_667 . . .
C16 N4 N5 C9 162(23) 2_667 . . .
C11 N4 N5 C9 0(10) . . . .
C14 N4 N5 C9 0(9) 2_667 . . .
N6 N4 N5 C9 2(8) 2_667 . . .
C20 N7 N8 N9 173(100) 2_675 . . 2_675
C21 N7 N8 N9 47(100) 2_675 . . 2_675
C19 N7 N8 N9 -1(11) . . . 2_675
C20 N7 N8 C17 173(100) 2_675 . . .
N9 N7 N8 C17 0(13) 2_675 . . .
C21 N7 N8 C17 48(100) 2_675 . . .
C19 N7 N8 C17 0(21) . . . .
N9 N7 N8 C20 -173(100) 2_675 . . 2_675
C21 N7 N8 C20 -126(100) 2_675 . . 2_675
C19 N7 N8 C20 -174(100) . . . 2_675
O8 Mo1 O1 P1 178.4(9) . . . .
O5 Mo1 O1 P1 -45.3(9) . . . .
O7 Mo1 O1 P1 -132.4(11) . . . .
O6 Mo1 O1 P1 43.6(9) . . . .
O13 Mo1 O1 P1 127.2(11) 2_766 . . .
O8 Mo1 O1 O2 -118.0(15) . . . 2_766
O5 Mo1 O1 O2 18.3(14) . . . 2_766
O7 Mo1 O1 O2 -68.8(13) . . . 2_766
O6 Mo1 O1 O2 107.2(13) . . . 2_766
O13 Mo1 O1 O2 -169.2(15) 2_766 . . 2_766
O8 Mo1 O1 Mo4 -44.7(14) . . . 2_766
O5 Mo1 O1 Mo4 91.6(5) . . . 2_766
O7 Mo1 O1 Mo4 4.5(5) . . . 2_766
O6 Mo1 O1 Mo4 -179.4(5) . . . 2_766
O13 Mo1 O1 Mo4 -95.9(7) 2_766 . . 2_766
O8 Mo1 O1 Mo3 50.2(14) . . . 2_766
O5 Mo1 O1 Mo3 -173.4(5) . . . 2_766
O7 Mo1 O1 Mo3 99.5(6) . . . 2_766
O6 Mo1 O1 Mo3 -84.5(5) . . . 2_766
O13 Mo1 O1 Mo3 -1.0(5) 2_766 . . 2_766
O20 Mo5 O2 P1 178.6(13) . . . .
O19 Mo5 O2 P1 -131.6(12) . . . .
O16 Mo5 O2 P1 128.7(12) . . . .
O6 Mo5 O2 P1 -43.5(11) . . . .
O10 Mo5 O2 P1 43.9(11) . . . .
O3 Mo5 O2 P1 2.1(8) 2_766 . . .
O20 Mo5 O2 O3 176.5(16) . . . 2_766
O19 Mo5 O2 O3 -133.7(9) . . . 2_766
O16 Mo5 O2 O3 126.6(9) . . . 2_766
O6 Mo5 O2 O3 -45.6(8) . . . 2_766
O10 Mo5 O2 O3 41.8(8) . . . 2_766
O20 Mo5 O2 O4 -103(2) . . . 2_766
O19 Mo5 O2 O4 -53.1(13) . . . 2_766
O16 Mo5 O2 O4 -152.9(15) . . . 2_766
O6 Mo5 O2 O4 34.9(14) . . . 2_766
O10 Mo5 O2 O4 122.3(14) . . . 2_766
O3 Mo5 O2 O4 80.5(15) 2_766 . . 2_766
O20 Mo5 O2 O1 100(2) . . . 2_766
O19 Mo5 O2 O1 150.4(14) . . . 2_766
O16 Mo5 O2 O1 50.6(12) . . . 2_766
O6 Mo5 O2 O1 -121.6(13) . . . 2_766
O10 Mo5 O2 O1 -34.2(13) . . . 2_766
O3 Mo5 O2 O1 -76.0(13) 2_766 . . 2_766
O20 Mo5 O2 Mo6 -44.2(19) . . . .
O19 Mo5 O2 Mo6 5.7(4) . . . .
O16 Mo5 O2 Mo6 -94.1(5) . . . .
O6 Mo5 O2 Mo6 93.8(5) . . . .
O10 Mo5 O2 Mo6 -178.8(5) . . . .
O3 Mo5 O2 Mo6 139.4(10) 2_766 . . .
O20 Mo5 O2 Mo4 45.7(19) . . . .
O19 Mo5 O2 Mo4 95.6(5) . . . .
O16 Mo5 O2 Mo4 -4.2(4) . . . .
O6 Mo5 O2 Mo4 -176.3(4) . . . .
O10 Mo5 O2 Mo4 -88.9(5) . . . .
O3 Mo5 O2 Mo4 -130.7(9) 2_766 . . .
O22 Mo6 O2 P1 176.8(16) . . . .
O17 Mo6 O2 P1 -127.9(13) . . . .
O21 Mo6 O2 P1 -39.3(12) . . . .
O19 Mo6 O2 P1 131.3(13) . . . .
O14 Mo6 O2 P1 46.4(11) 2_766 . . .
O4 Mo6 O2 P1 0.2(9) 2_766 . . .
O22 Mo6 O2 O3 97(2) . . . 2_766
O17 Mo6 O2 O3 152.3(16) . . . 2_766
O21 Mo6 O2 O3 -119.1(15) . . . 2_766
O19 Mo6 O2 O3 51.6(14) . . . 2_766
O14 Mo6 O2 O3 -33.4(15) 2_766 . . 2_766
O4 Mo6 O2 O3 -79.5(16) 2_766 . . 2_766
O22 Mo6 O2 O4 176.6(19) . . . 2_766
O17 Mo6 O2 O4 -128.1(10) . . . 2_766
O21 Mo6 O2 O4 -39.5(9) . . . 2_766
O19 Mo6 O2 O4 131.1(10) . . . 2_766
O14 Mo6 O2 O4 46.1(9) 2_766 . . 2_766
O22 Mo6 O2 O1 -106(2) . . . 2_766
O17 Mo6 O2 O1 -51.0(12) . . . 2_766
O21 Mo6 O2 O1 37.6(13) . . . 2_766
O19 Mo6 O2 O1 -151.8(14) . . . 2_766
O14 Mo6 O2 O1 123.3(13) 2_766 . . 2_766
O4 Mo6 O2 O1 77.1(14) 2_766 . . 2_766
O22 Mo6 O2 Mo5 40(2) . . . .
O17 Mo6 O2 Mo5 95.1(6) . . . .
O21 Mo6 O2 Mo5 -176.3(5) . . . .
O19 Mo6 O2 Mo5 -5.6(4) . . . .
O14 Mo6 O2 Mo5 -90.6(5) 2_766 . . .
O4 Mo6 O2 Mo5 -136.7(10) 2_766 . . .
O22 Mo6 O2 Mo4 -50(2) . . . .
O17 Mo6 O2 Mo4 4.9(4) . . . .
O21 Mo6 O2 Mo4 93.5(5) . . . .
O19 Mo6 O2 Mo4 -95.8(6) . . . .
O14 Mo6 O2 Mo4 179.2(5) 2_766 . . .
O4 Mo6 O2 Mo4 133.1(10) 2_766 . . .
O18 Mo4 O2 P1 175.4(13) . . . .
O12 Mo4 O2 P1 -42.0(11) . . . .
O7 Mo4 O2 P1 46.2(11) 2_766 . . .
O16 Mo4 O2 P1 -130.7(12) . . . .
O17 Mo4 O2 P1 130.4(12) . . . .
O1 Mo4 O2 P1 1.7(8) 2_766 . . .
O18 Mo4 O2 O3 -110.9(18) . . . 2_766
O12 Mo4 O2 O3 31.7(13) . . . 2_766
O7 Mo4 O2 O3 119.9(13) 2_766 . . 2_766
O16 Mo4 O2 O3 -57.0(12) . . . 2_766
O17 Mo4 O2 O3 -155.9(15) . . . 2_766
O1 Mo4 O2 O3 75.4(13) 2_766 . . 2_766
O18 Mo4 O2 O4 101(2) . . . 2_766
O12 Mo4 O2 O4 -116.8(13) . . . 2_766
O7 Mo4 O2 O4 -28.6(13) 2_766 . . 2_766
O16 Mo4 O2 O4 154.5(14) . . . 2_766
O17 Mo4 O2 O4 55.6(12) . . . 2_766
O1 Mo4 O2 O4 -73.1(14) 2_766 . . 2_766
O18 Mo4 O2 O1 173.7(15) . . . 2_766
O12 Mo4 O2 O1 -43.7(8) . . . 2_766
O7 Mo4 O2 O1 44.5(8) 2_766 . . 2_766
O16 Mo4 O2 O1 -132.3(9) . . . 2_766
O17 Mo4 O2 O1 128.7(9) . . . 2_766
O18 Mo4 O2 Mo5 -49.8(18) . . . .
O12 Mo4 O2 Mo5 92.8(5) . . . .
O7 Mo4 O2 Mo5 -179.0(5) 2_766 . . .
O16 Mo4 O2 Mo5 4.2(4) . . . .
O17 Mo4 O2 Mo5 -94.8(5) . . . .
O1 Mo4 O2 Mo5 136.5(9) 2_766 . . .
O18 Mo4 O2 Mo6 40.2(19) . . . .
O12 Mo4 O2 Mo6 -177.2(5) . . . .
O7 Mo4 O2 Mo6 -89.0(5) 2_766 . . .
O16 Mo4 O2 Mo6 94.2(6) . . . .
O17 Mo4 O2 Mo6 -4.8(4) . . . .
O1 Mo4 O2 Mo6 -133.5(10) 2_766 . . .
O11 Mo2 O4 P1 175.6(11) . . . .
O9 Mo2 O4 P1 -122.2(13) . . . .
O10 Mo2 O4 P1 -35.6(12) . . . .
O21 Mo2 O4 P1 136.2(13) 2_766 . . .
O5 Mo2 O4 P1 51.7(11) . . . .
O3 Mo2 O4 P1 0.8(8) 2_766 . . .
O11 Mo2 O4 O2 104(2) . . . 2_766
O9 Mo2 O4 O2 166.5(18) . . . 2_766
O10 Mo2 O4 O2 -106.9(16) . . . 2_766
O21 Mo2 O4 O2 64.9(16) 2_766 . . 2_766
O5 Mo2 O4 O2 -19.6(16) . . . 2_766
O3 Mo2 O4 O2 -70.5(16) 2_766 . . 2_766
O11 Mo2 O4 O3 174.9(14) . . . 2_766
O9 Mo2 O4 O3 -122.9(9) . . . 2_766
O10 Mo2 O4 O3 -36.3(8) . . . 2_766
O21 Mo2 O4 O3 135.5(9) 2_766 . . 2_766
O5 Mo2 O4 O3 50.9(8) . . . 2_766
O11 Mo2 O4 Mo6 34.7(18) . . . 2_766
O9 Mo2 O4 Mo6 96.9(7) . . . 2_766
O10 Mo2 O4 Mo6 -176.5(5) . . . 2_766
O21 Mo2 O4 Mo6 -4.7(4) 2_766 . . 2_766
O5 Mo2 O4 Mo6 -89.2(5) . . . 2_766
O3 Mo2 O4 Mo6 -140.2(10) 2_766 . . 2_766
O11 Mo2 O4 Mo3 -57.4(17) . . . .
O9 Mo2 O4 Mo3 4.8(5) . . . .
O10 Mo2 O4 Mo3 91.3(5) . . . .
O21 Mo2 O4 Mo3 -96.8(6) 2_766 . . .
O5 Mo2 O4 Mo3 178.6(5) . . . .
O3 Mo2 O4 Mo3 127.7(9) 2_766 . . .
O15 Mo3 O4 P1 176.7(11) . . . .
O14 Mo3 O4 P1 -132.2(12) . . . .
O13 Mo3 O4 P1 -43.0(11) . . . .
O9 Mo3 O4 P1 125.0(12) . . . .
O12 Mo3 O4 P1 43.1(11) . . . .
O1 Mo3 O4 P1 1.3(8) 2_766 . . .
O15 Mo3 O4 O2 -117.3(17) . . . 2_766
O14 Mo3 O4 O2 -66.2(13) . . . 2_766
O13 Mo3 O4 O2 23.0(14) . . . 2_766
O9 Mo3 O4 O2 -169.0(15) . . . 2_766
O12 Mo3 O4 O2 109.1(13) . . . 2_766
O1 Mo3 O4 O2 67.4(14) 2_766 . . 2_766
O15 Mo3 O4 O3 112.1(17) . . . 2_766
O14 Mo3 O4 O3 163.1(14) . . . 2_766
O13 Mo3 O4 O3 -107.7(12) . . . 2_766
O9 Mo3 O4 O3 60.4(12) . . . 2_766
O12 Mo3 O4 O3 -21.5(12) . . . 2_766
O1 Mo3 O4 O3 -63.3(12) 2_766 . . 2_766
O15 Mo3 O4 Mo6 -47.3(18) . . . 2_766
O14 Mo3 O4 Mo6 3.7(5) . . . 2_766
O13 Mo3 O4 Mo6 92.9(6) . . . 2_766
O9 Mo3 O4 Mo6 -99.0(7) . . . 2_766
O12 Mo3 O4 Mo6 179.1(5) . . . 2_766
O1 Mo3 O4 Mo6 137.3(10) 2_766 . . 2_766
O15 Mo3 O4 Mo2 47.0(17) . . . .
O14 Mo3 O4 Mo2 98.0(6) . . . .
O13 Mo3 O4 Mo2 -172.7(5) . . . .
O9 Mo3 O4 Mo2 -4.7(5) . . . .
O12 Mo3 O4 Mo2 -86.6(5) . . . .
O1 Mo3 O4 Mo2 -128.4(9) 2_766 . . .
O8 Mo1 O5 Mo2 -155.4(9) . . . .
O7 Mo1 O5 Mo2 102.7(10) . . . .
O6 Mo1 O5 Mo2 -53.7(10) . . . .
O13 Mo1 O5 Mo2 23.5(19) 2_766 . . .
O1 Mo1 O5 Mo2 41.2(10) . . . .
O11 Mo2 O5 Mo1 157.3(9) . . . .
O9 Mo2 O5 Mo1 -27.8(18) . . . .
O10 Mo2 O5 Mo1 54.3(10) . . . .
O21 Mo2 O5 Mo1 -102.8(10) 2_766 . . .
O4 Mo2 O5 Mo1 -41.8(10) . . . .
O3 Mo2 O5 Mo1 -6.9(9) 2_766 . . .
O20 Mo5 O6 Mo1 -154.0(9) . . . .
O19 Mo5 O6 Mo1 104.5(9) . . . .
O16 Mo5 O6 Mo1 20.2(17) . . . .
O10 Mo5 O6 Mo1 -53.6(9) . . . .
O3 Mo5 O6 Mo1 9.3(8) 2_766 . . .
O2 Mo5 O6 Mo1 38.7(9) . . . .
O8 Mo1 O6 Mo5 156.0(9) . . . .
O5 Mo1 O6 Mo5 53.5(9) . . . .
O7 Mo1 O6 Mo5 -32.3(17) . . . .
O13 Mo1 O6 Mo5 -104.3(9) 2_766 . . .
O1 Mo1 O6 Mo5 -41.1(9) . . . .
O8 Mo1 O7 Mo4 152.8(11) . . . 2_766
O5 Mo1 O7 Mo4 -104.4(11) . . . 2_766
O6 Mo1 O7 Mo4 -18.8(19) . . . 2_766
O13 Mo1 O7 Mo4 53.2(11) 2_766 . . 2_766
O1 Mo1 O7 Mo4 -8.9(9) . . . 2_766
O11 Mo2 O9 Mo3 149.9(11) . . . .
O10 Mo2 O9 Mo3 -106.6(12) . . . .
O21 Mo2 O9 Mo3 49.6(12) 2_766 . . .
O5 Mo2 O9 Mo3 -25(2) . . . .
O4 Mo2 O9 Mo3 -9.6(10) . . . .
O3 Mo2 O9 Mo3 -44.0(12) 2_766 . . .
O15 Mo3 O9 Mo2 -153.1(11) . . . .
O14 Mo3 O9 Mo2 -50.8(12) . . . .
O13 Mo3 O9 Mo2 40(2) . . . .
O12 Mo3 O9 Mo2 106.6(12) . . . .
O1 Mo3 O9 Mo2 45.8(12) 2_766 . . .
O4 Mo3 O9 Mo2 9.5(10) . . . .
O11 Mo2 O10 Mo5 -156.6(9) . . . .
O9 Mo2 O10 Mo5 100.8(9) . . . .
O21 Mo2 O10 Mo5 17.4(18) 2_766 . . .
O5 Mo2 O10 Mo5 -55.7(9) . . . .
O4 Mo2 O10 Mo5 35.3(10) . . . .
O3 Mo2 O10 Mo5 8.6(8) 2_766 . . .
O20 Mo5 O10 Mo2 157.0(9) . . . .
O19 Mo5 O10 Mo2 -25.4(18) . . . .
O16 Mo5 O10 Mo2 -101.7(9) . . . .
O6 Mo5 O10 Mo2 56.1(9) . . . .
O3 Mo5 O10 Mo2 -8.8(8) 2_766 . . .
O2 Mo5 O10 Mo2 -36.5(10) . . . .
O18 Mo4 O12 Mo3 -153.5(11) . . . .
O7 Mo4 O12 Mo3 -52.5(11) 2_766 . . .
O16 Mo4 O12 Mo3 102.7(11) . . . .
O17 Mo4 O12 Mo3 21.9(19) . . . .
O1 Mo4 O12 Mo3 8.0(10) 2_766 . . .
O2 Mo4 O12 Mo3 38.7(11) . . . .
O15 Mo3 O12 Mo4 155.4(11) . . . .
O14 Mo3 O12 Mo4 -30(2) . . . .
O13 Mo3 O12 Mo4 54.6(11) . . . .
O9 Mo3 O12 Mo4 -103.7(11) . . . .
O1 Mo3 O12 Mo4 -7.9(10) 2_766 . . .
O4 Mo3 O12 Mo4 -40.6(12) . . . .
O15 Mo3 O13 Mo1 -158.5(12) . . . 2_766
O14 Mo3 O13 Mo1 98.6(12) . . . 2_766
O9 Mo3 O13 Mo1 8(2) . . . 2_766
O12 Mo3 O13 Mo1 -58.0(12) . . . 2_766
O1 Mo3 O13 Mo1 2.0(10) 2_766 . . 2_766
O4 Mo3 O13 Mo1 35.6(13) . . . 2_766
O15 Mo3 O14 Mo6 155.5(10) . . . 2_766
O13 Mo3 O14 Mo6 -102.4(11) . . . 2_766
O9 Mo3 O14 Mo6 53.8(11) . . . 2_766
O12 Mo3 O14 Mo6 -19(2) . . . 2_766
O1 Mo3 O14 Mo6 -38.4(11) 2_766 . . 2_766
O4 Mo3 O14 Mo6 -7.2(10) . . . 2_766
O20 Mo5 O16 Mo4 -156.8(9) . . . .
O19 Mo5 O16 Mo4 -55.5(9) . . . .
O6 Mo5 O16 Mo4 28.9(17) . . . .
O10 Mo5 O16 Mo4 103.0(9) . . . .
O3 Mo5 O16 Mo4 38.9(9) 2_766 . . .
O2 Mo5 O16 Mo4 8.6(8) . . . .
O18 Mo4 O16 Mo5 155.1(9) . . . .
O12 Mo4 O16 Mo5 -101.9(10) . . . .
O7 Mo4 O16 Mo5 -16.1(17) 2_766 . . .
O17 Mo4 O16 Mo5 54.2(9) . . . .
O1 Mo4 O16 Mo5 -38.0(10) 2_766 . . .
O2 Mo4 O16 Mo5 -8.5(8) . . . .
O22 Mo6 O17 Mo4 155.4(9) . . . .
O21 Mo6 O17 Mo4 -102.2(9) . . . .
O19 Mo6 O17 Mo4 53.1(9) . . . .
O14 Mo6 O17 Mo4 -24.1(17) 2_766 . . .
O4 Mo6 O17 Mo4 -39.9(10) 2_766 . . .
O2 Mo6 O17 Mo4 -10.0(8) . . . .
O18 Mo4 O17 Mo6 -155.8(9) . . . .
O12 Mo4 O17 Mo6 28.8(17) . . . .
O7 Mo4 O17 Mo6 103.7(10) 2_766 . . .
O16 Mo4 O17 Mo6 -52.9(9) . . . .
O1 Mo4 O17 Mo6 41.2(10) 2_766 . . .
O2 Mo4 O17 Mo6 10.0(8) . . . .
O20 Mo5 O19 Mo6 154.2(9) . . . .
O16 Mo5 O19 Mo6 52.6(9) . . . .
O6 Mo5 O19 Mo6 -104.5(9) . . . .
O10 Mo5 O19 Mo6 -23.4(17) . . . .
O3 Mo5 O19 Mo6 -38.3(9) 2_766 . . .
O2 Mo5 O19 Mo6 -11.2(8) . . . .
O22 Mo6 O19 Mo5 -156.3(9) . . . .
O17 Mo6 O19 Mo5 -52.6(9) . . . .
O21 Mo6 O19 Mo5 34.1(16) . . . .
O14 Mo6 O19 Mo5 103.7(9) 2_766 . . .
O4 Mo6 O19 Mo5 39.8(9) 2_766 . . .
O2 Mo6 O19 Mo5 11.2(8) . . . .
O22 Mo6 O21 Mo2 -153.5(11) . . . 2_766
O17 Mo6 O21 Mo2 102.8(10) . . . 2_766
O19 Mo6 O21 Mo2 16.2(18) . . . 2_766
O14 Mo6 O21 Mo2 -53.5(11) 2_766 . . 2_766
O4 Mo6 O21 Mo2 9.8(10) 2_766 . . 2_766
O2 Mo6 O21 Mo2 36.8(11) . . . 2_766
O3 O2 P1 O2 25(100) 2_766 . . 2_766
O4 O2 P1 O2 -99(100) 2_766 . . 2_766
O1 O2 P1 O2 144(100) 2_766 . . 2_766
Mo5 O2 P1 O2 23(100) . . . 2_766
Mo6 O2 P1 O2 -99(100) . . . 2_766
Mo4 O2 P1 O2 142(100) . . . 2_766
O3 O2 P1 O3 180.000(4) 2_766 . . .
O4 O2 P1 O3 55.5(11) 2_766 . . .
O1 O2 P1 O3 -61.8(10) 2_766 . . .
Mo5 O2 P1 O3 177.7(9) . . . .
Mo6 O2 P1 O3 55.3(13) . . . .
Mo4 O2 P1 O3 -63.5(12) . . . .
O4 O2 P1 O3 -124.5(11) 2_766 . . 2_766
O1 O2 P1 O3 118.2(10) 2_766 . . 2_766
Mo5 O2 P1 O3 -2.3(9) . . . 2_766
Mo6 O2 P1 O3 -124.7(13) . . . 2_766
Mo4 O2 P1 O3 116.5(12) . . . 2_766
O3 O2 P1 O4 -55.5(11) 2_766 . . .
O4 O2 P1 O4 180.000(2) 2_766 . . .
O1 O2 P1 O4 62.7(11) 2_766 . . .
Mo5 O2 P1 O4 -57.8(13) . . . .
Mo6 O2 P1 O4 179.7(10) . . . .
Mo4 O2 P1 O4 61.0(13) . . . .
O3 O2 P1 O4 124.5(11) 2_766 . . 2_766
O1 O2 P1 O4 -117.3(11) 2_766 . . 2_766
Mo5 O2 P1 O4 122.2(13) . . . 2_766
Mo6 O2 P1 O4 -0.3(10) . . . 2_766
Mo4 O2 P1 O4 -119.0(13) . . . 2_766
O3 O2 P1 O1 -118.2(10) 2_766 . . 2_766
O4 O2 P1 O1 117.3(11) 2_766 . . 2_766
Mo5 O2 P1 O1 -120.5(12) . . . 2_766
Mo6 O2 P1 O1 117.0(13) . . . 2_766
Mo4 O2 P1 O1 -1.8(9) . . . 2_766
O3 O2 P1 O1 61.8(10) 2_766 . . .
O4 O2 P1 O1 -62.7(11) 2_766 . . .
O1 O2 P1 O1 180.000(8) 2_766 . . .
Mo5 O2 P1 O1 59.5(12) . . . .
Mo6 O2 P1 O1 -63.0(13) . . . .
Mo4 O2 P1 O1 178.2(9) . . . .
O2 O3 P1 O2 180.000(5) 2_766 . . .
O4 O3 P1 O2 -53.2(11) 2_766 . . .
Mo5 O3 P1 O2 177.6(9) 2_766 . . .
Mo2 O3 P1 O2 -54.0(12) 2_766 . . .
O4 O3 P1 O2 126.8(11) 2_766 . . 2_766
Mo5 O3 P1 O2 -2.4(9) 2_766 . . 2_766
Mo2 O3 P1 O2 126.0(12) 2_766 . . 2_766
O2 O3 P1 O3 -171(100) 2_766 . . 2_766
O4 O3 P1 O3 -44(100) 2_766 . . 2_766
Mo5 O3 P1 O3 -173(100) 2_766 . . 2_766
Mo2 O3 P1 O3 -45(100) 2_766 . . 2_766
O2 O3 P1 O4 53.2(11) 2_766 . . .
O4 O3 P1 O4 180.000(6) 2_766 . . .
Mo5 O3 P1 O4 50.7(13) 2_766 . . .
Mo2 O3 P1 O4 179.1(9) 2_766 . . .
O2 O3 P1 O4 -126.8(11) 2_766 . . 2_766
Mo5 O3 P1 O4 -129.3(13) 2_766 . . 2_766
Mo2 O3 P1 O4 -0.9(9) 2_766 . . 2_766
O2 O3 P1 O1 121.0(10) 2_766 . . 2_766
O4 O3 P1 O1 -112.1(10) 2_766 . . 2_766
Mo5 O3 P1 O1 118.6(11) 2_766 . . 2_766
Mo2 O3 P1 O1 -113.0(11) 2_766 . . 2_766
O2 O3 P1 O1 -59.0(10) 2_766 . . .
O4 O3 P1 O1 67.9(10) 2_766 . . .
Mo5 O3 P1 O1 -61.4(11) 2_766 . . .
Mo2 O3 P1 O1 67.0(11) 2_766 . . .
O2 O4 P1 O2 180.000(3) 2_766 . . .
O3 O4 P1 O2 52.8(11) 2_766 . . .
Mo6 O4 P1 O2 179.7(10) 2_766 . . .
Mo2 O4 P1 O2 51.9(13) . . . .
Mo3 O4 P1 O2 -61.1(13) . . . .
O3 O4 P1 O2 -127.2(11) 2_766 . . 2_766
Mo6 O4 P1 O2 -0.3(10) 2_766 . . 2_766
Mo2 O4 P1 O2 -128.1(13) . . . 2_766
Mo3 O4 P1 O2 118.9(13) . . . 2_766
O2 O4 P1 O3 -52.8(11) 2_766 . . .
O3 O4 P1 O3 180.000(6) 2_766 . . .
Mo6 O4 P1 O3 -53.1(13) 2_766 . . .
Mo2 O4 P1 O3 179.1(9) . . . .
Mo3 O4 P1 O3 66.1(12) . . . .
O2 O4 P1 O3 127.2(11) 2_766 . . 2_766
Mo6 O4 P1 O3 126.9(13) 2_766 . . 2_766
Mo2 O4 P1 O3 -0.9(9) . . . 2_766
Mo3 O4 P1 O3 -113.9(12) . . . 2_766
O2 O4 P1 O4 161(100) 2_766 . . 2_766
O3 O4 P1 O4 34(100) 2_766 . . 2_766
Mo6 O4 P1 O4 161(100) 2_766 . . 2_766
Mo2 O4 P1 O4 33(100) . . . 2_766
Mo3 O4 P1 O4 -80(100) . . . 2_766
O2 O4 P1 O1 -120.4(10) 2_766 . . 2_766
O3 O4 P1 O1 112.4(10) 2_766 . . 2_766
Mo6 O4 P1 O1 -120.6(13) 2_766 . . 2_766
Mo2 O4 P1 O1 111.5(12) . . . 2_766
Mo3 O4 P1 O1 -1.5(9) . . . 2_766
O2 O4 P1 O1 59.6(10) 2_766 . . .
O3 O4 P1 O1 -67.6(9) 2_766 . . .
Mo6 O4 P1 O1 59.4(13) 2_766 . . .
Mo2 O4 P1 O1 -68.5(12) . . . .
Mo3 O4 P1 O1 178.5(9) . . . .
O2 O1 P1 O2 180.000(8) 2_766 . . .
Mo4 O1 P1 O2 178.1(10) 2_766 . . .
Mo1 O1 P1 O2 -58.7(11) . . . .
Mo3 O1 P1 O2 56.3(12) 2_766 . . .
Mo4 O1 P1 O2 -1.9(10) 2_766 . . 2_766
Mo1 O1 P1 O2 121.3(11) . . . 2_766
Mo3 O1 P1 O2 -123.7(12) 2_766 . . 2_766
O2 O1 P1 O3 56.8(10) 2_766 . . .
Mo4 O1 P1 O3 54.9(11) 2_766 . . .
Mo1 O1 P1 O3 178.1(8) . . . .
Mo3 O1 P1 O3 -66.9(11) 2_766 . . .
O2 O1 P1 O3 -123.2(10) 2_766 . . 2_766
Mo4 O1 P1 O3 -125.1(11) 2_766 . . 2_766
Mo1 O1 P1 O3 -1.9(8) . . . 2_766
Mo3 O1 P1 O3 113.1(11) 2_766 . . 2_766
O2 O1 P1 O4 -57.9(10) 2_766 . . .
Mo4 O1 P1 O4 -59.8(12) 2_766 . . .
Mo1 O1 P1 O4 63.5(11) . . . .
Mo3 O1 P1 O4 178.4(10) 2_766 . . .
O2 O1 P1 O4 122.1(10) 2_766 . . 2_766
Mo4 O1 P1 O4 120.2(12) 2_766 . . 2_766
Mo1 O1 P1 O4 -116.5(11) . . . 2_766
Mo3 O1 P1 O4 -1.6(10) 2_766 . . 2_766
O2 O1 P1 O1 -82(100) 2_766 . . 2_766
Mo4 O1 P1 O1 -84(100) 2_766 . . 2_766
Mo1 O1 P1 O1 40(100) . . . 2_766
Mo3 O1 P1 O1 155(100) 2_766 . . 2_766
C5 N2 C1 C8 -144(10) 2_777 . . 2_777
C4 N2 C1 C8 -8(12) 2_777 . . 2_777
C6 N2 C1 C8 -162(11) 2_777 . . 2_777
N1 N2 C1 C8 -170(9) . . . 2_777
N3 N2 C1 C8 2(9) 2_777 . . 2_777
C7 N2 C1 C8 -161(17) 2_777 . . 2_777
C5 N2 C1 C7 17(13) 2_777 . . 2_777
C4 N2 C1 C7 153(8) 2_777 . . 2_777
C6 N2 C1 C7 -1(8) 2_777 . . 2_777
N1 N2 C1 C7 -9(10) . . . 2_777
N3 N2 C1 C7 163(9) 2_777 . . 2_777
C8 N2 C1 C7 161(17) 2_777 . . 2_777
C5 N2 C1 C2 26(11) 2_777 . . .
C4 N2 C1 C2 162(6) 2_777 . . .
C6 N2 C1 C2 8(5) 2_777 . . .
N1 N2 C1 C2 0(7) . . . .
N3 N2 C1 C2 172(7) 2_777 . . .
C7 N2 C1 C2 9(8) 2_777 . . .
C8 N2 C1 C2 170(14) 2_777 . . .
C5 N2 C1 N3 -146(7) 2_777 . . 2_777
C4 N2 C1 N3 -10(5) 2_777 . . 2_777
C6 N2 C1 N3 -164(3) 2_777 . . 2_777
N1 N2 C1 N3 -172(3) . . . 2_777
C7 N2 C1 N3 -163(9) 2_777 . . 2_777
C8 N2 C1 N3 -2(9) 2_777 . . 2_777
C5 N2 C1 C6 18(7) 2_777 . . 2_777
C4 N2 C1 C6 154(5) 2_777 . . 2_777
N1 N2 C1 C6 -8(3) . . . 2_777
N3 N2 C1 C6 164(3) 2_777 . . 2_777
C7 N2 C1 C6 1(8) 2_777 . . 2_777
C8 N2 C1 C6 162(11) 2_777 . . 2_777
C8 C1 C2 C7 86(50) 2_777 . . 2_777
N2 C1 C2 C7 -81(48) . . . 2_777
N3 C1 C2 C7 -52(59) 2_777 . . 2_777
C6 C1 C2 C7 -73(48) 2_777 . . 2_777
C8 C1 C2 C3 166(12) 2_777 . . .
C7 C1 C2 C3 81(48) 2_777 . . .
N2 C1 C2 C3 0(8) . . . .
N3 C1 C2 C3 29(37) 2_777 . . .
C6 C1 C2 C3 8(4) 2_777 . . .
C8 C1 C2 C6 159(14) 2_777 . . 2_777
C7 C1 C2 C6 73(47) 2_777 . . 2_777
N2 C1 C2 C6 -8(5) . . . 2_777
N3 C1 C2 C6 21(34) 2_777 . . 2_777
C7 C1 C2 C8 -86(50) 2_777 . . 2_777
N2 C1 C2 C8 -166(17) . . . 2_777
N3 C1 C2 C8 -137(43) 2_777 . . 2_777
C6 C1 C2 C8 -159(14) 2_777 . . 2_777
C6 N1 C3 C3 147(11) 2_777 . . 2_777
C5 N1 C3 C3 136(10) 2_777 . . 2_777
N2 N1 C3 C3 167(6) . . . 2_777
C5 N1 C3 C6 -11(9) 2_777 . . 2_777
N2 N1 C3 C6 20(6) . . . 2_777
C3 N1 C3 C6 -147(11) 2_777 . . 2_777
C6 N1 C3 C2 -20(7) 2_777 . . .
C5 N1 C3 C2 -31(10) 2_777 . . .
N2 N1 C3 C2 0(5) . . . .
C3 N1 C3 C2 -167(9) 2_777 . . .
C6 N1 C3 C6 160(7) 2_777 . . .
C5 N1 C3 C6 149(8) 2_777 . . .
N2 N1 C3 C6 -180(3) . . . .
C3 N1 C3 C6 13(4) 2_777 . . .
C6 N1 C3 N1 147(11) 2_777 . . 2_777
C5 N1 C3 N1 136(10) 2_777 . . 2_777
N2 N1 C3 N1 167(6) . . . 2_777
C3 N1 C3 N1 0.000(16) 2_777 . . 2_777
C6 N1 C3 C7 -16(6) 2_777 . . 2_777
C5 N1 C3 C7 -27(10) 2_777 . . 2_777
N2 N1 C3 C7 4(4) . . . 2_777
C3 N1 C3 C7 -163(8) 2_777 . . 2_777
C7 C2 C3 C3 -134(28) 2_777 . . 2_777
C1 C2 C3 C3 -144(26) . . . 2_777
C6 C2 C3 C3 -132(29) 2_777 . . 2_777
C8 C2 C3 C3 -140(26) 2_777 . . 2_777
C7 C2 C3 C6 -2(12) 2_777 . . 2_777
C1 C2 C3 C6 -12(6) . . . 2_777
C8 C2 C3 C6 -8(6) 2_777 . . 2_777
C7 C2 C3 N1 10(13) 2_777 . . .
C1 C2 C3 N1 0(8) . . . .
C6 C2 C3 N1 12(4) 2_777 . . .
C8 C2 C3 N1 4(7) 2_777 . . .
C7 C2 C3 C6 -170(11) 2_777 . . .
C1 C2 C3 C6 180(5) . . . .
C6 C2 C3 C6 -168(6) 2_777 . . .
C8 C2 C3 C6 -176(4) 2_777 . . .
C7 C2 C3 N1 -163(12) 2_777 . . 2_777
C1 C2 C3 N1 -173(6) . . . 2_777
C6 C2 C3 N1 -162(6) 2_777 . . 2_777
C8 C2 C3 N1 -169(5) 2_777 . . 2_777
C1 C2 C3 C7 -10(9) . . . 2_777
C6 C2 C3 C7 2(12) 2_777 . . 2_777
C8 C2 C3 C7 -6(9) 2_777 . . 2_777
C8 N3 C4 N2 12(4) . . . 2_777
C1 N3 C4 N2 7(3) 2_777 . . 2_777
C8 N3 C4 C5 0(5) . . . .
N2 N3 C4 C5 -12(3) 2_777 . . .
C1 N3 C4 C5 -5(4) 2_777 . . .
N2 C4 C5 N1 14(9) 2_777 . . 2_777
N3 C4 C5 N1 30(11) . . . 2_777
N3 C4 C5 N2 16(4) . . . 2_777
N2 C4 C5 C6 -16(4) 2_777 . . .
N3 C4 C5 C6 0(5) . . . .
N2 C5 C6 N1 139(7) 2_777 . . 2_777
C4 C5 C6 N1 153(7) . . . 2_777
N1 C5 C6 C3 11(8) 2_777 . . 2_777
N2 C5 C6 C3 150(9) 2_777 . . 2_777
C4 C5 C6 C3 164(8) . . . 2_777
N1 C5 C6 N2 -139(7) 2_777 . . 2_777
C4 C5 C6 N2 14(3) . . . 2_777
N1 C5 C6 C7 -153(9) 2_777 . . .
N2 C5 C6 C7 -14(5) 2_777 . . .
C4 C5 C6 C7 0(6) . . . .
N1 C5 C6 C2 -147(11) 2_777 . . 2_777
N2 C5 C6 C2 -8(9) 2_777 . . 2_777
C4 C5 C6 C2 6(10) . . . 2_777
N1 C5 C6 C3 27(6) 2_777 . . .
N2 C5 C6 C3 166(4) 2_777 . . .
C4 C5 C6 C3 -180(3) . . . .
N1 C5 C6 C1 -149(7) 2_777 . . 2_777
N2 C5 C6 C1 -9(4) 2_777 . . 2_777
C4 C5 C6 C1 4(5) . . . 2_777
C3 C3 C6 N1 -143(11) 2_777 . . 2_777
C6 C3 C6 N1 -143(11) 2_777 . . 2_777
N1 C3 C6 N1 -167(4) . . . 2_777
C2 C3 C6 N1 13(8) . . . 2_777
C7 C3 C6 N1 5(10) 2_777 . . 2_777
C6 C3 C6 C3 0.00(8) 2_777 . . 2_777
N1 C3 C6 C3 -24(8) . . . 2_777
C2 C3 C6 C3 156(13) . . . 2_777
N1 C3 C6 C3 143(11) 2_777 . . 2_777
C7 C3 C6 C3 148(15) 2_777 . . 2_777
C3 C3 C6 N2 -136(13) 2_777 . . 2_777
C6 C3 C6 N2 -136(13) 2_777 . . 2_777
N1 C3 C6 N2 -160(8) . . . 2_777
C2 C3 C6 N2 20(13) . . . 2_777
N1 C3 C6 N2 8(8) 2_777 . . 2_777
C7 C3 C6 N2 12(16) 2_777 . . 2_777
C3 C3 C6 C5 -160(10) 2_777 . . .
C6 C3 C6 C5 -160(10) 2_777 . . .
N1 C3 C6 C5 176(4) . . . .
C2 C3 C6 C5 -4(7) . . . .
N1 C3 C6 C5 -17(3) 2_777 . . .
C7 C3 C6 C5 -12(10) 2_777 . . .
C3 C3 C6 C7 21(10) 2_777 . . .
C6 C3 C6 C7 21(10) 2_777 . . .
N1 C3 C6 C7 -4(7) . . . .
C2 C3 C6 C7 177(7) . . . .
N1 C3 C6 C7 164(8) 2_777 . . .
C7 C3 C6 C7 169(6) 2_777 . . .
C3 C3 C6 C2 17(9) 2_777 . . 2_777
C6 C3 C6 C2 17(9) 2_777 . . 2_777
N1 C3 C6 C2 -7(6) . . . 2_777
C2 C3 C6 C2 173(4) . . . 2_777
N1 C3 C6 C2 160(6) 2_777 . . 2_777
C7 C3 C6 C2 165(9) 2_777 . . 2_777
C3 C3 C6 C1 12(12) 2_777 . . 2_777
C6 C3 C6 C1 12(12) 2_777 . . 2_777
N1 C3 C6 C1 -12(9) . . . 2_777
C2 C3 C6 C1 168(8) . . . 2_777
N1 C3 C6 C1 156(10) 2_777 . . 2_777
C7 C3 C6 C1 160(9) 2_777 . . 2_777
N1 C6 C7 C2 136(16) 2_777 . . 2_777
C3 C6 C7 C2 2(12) 2_777 . . 2_777
N2 C6 C7 C2 163(11) 2_777 . . 2_777
C5 C6 C7 C2 172(10) . . . 2_777
C3 C6 C7 C2 -8(13) . . . 2_777
C1 C6 C7 C2 162(16) 2_777 . . 2_777
N1 C6 C7 C1 -26(18) 2_777 . . 2_777
C3 C6 C7 C1 -160(9) 2_777 . . 2_777
N2 C6 C7 C1 1(8) 2_777 . . 2_777
C5 C6 C7 C1 10(10) . . . 2_777
C2 C6 C7 C1 -162(16) 2_777 . . 2_777
C3 C6 C7 C1 -170(7) . . . 2_777
N1 C6 C7 C8 -36(17) 2_777 . . .
C3 C6 C7 C8 -170(6) 2_777 . . .
N2 C6 C7 C8 -9(6) 2_777 . . .
C5 C6 C7 C8 0(8) . . . .
C2 C6 C7 C8 -172(15) 2_777 . . .
C3 C6 C7 C8 180(5) . . . .
C1 C6 C7 C8 -10(7) 2_777 . . .
N1 C6 C7 C3 134(16) 2_777 . . 2_777
N2 C6 C7 C3 161(5) 2_777 . . 2_777
C5 C6 C7 C3 171(7) . . . 2_777
C2 C6 C7 C3 -2(12) 2_777 . . 2_777
C3 C6 C7 C3 -10(5) . . . 2_777
C1 C6 C7 C3 160(9) 2_777 . . 2_777
N1 C6 C7 N2 -27(14) 2_777 . . 2_777
C3 C6 C7 N2 -161(5) 2_777 . . 2_777
C5 C6 C7 N2 10(4) . . . 2_777
C2 C6 C7 N2 -163(11) 2_777 . . 2_777
C3 C6 C7 N2 -171(5) . . . 2_777
C1 C6 C7 N2 -1(8) 2_777 . . 2_777
C4 N3 C8 C1 -11(10) . . . 2_777
N2 N3 C8 C1 -2(8) 2_777 . . 2_777
C4 N3 C8 C7 0(7) . . . .
N2 N3 C8 C7 8(5) 2_777 . . .
C1 N3 C8 C7 10(7) 2_777 . . .
C4 N3 C8 N2 -8(3) . . . 2_777
C1 N3 C8 N2 2(8) 2_777 . . 2_777
C4 N3 C8 C2 -3(7) . . . 2_777
N2 N3 C8 C2 5(5) 2_777 . . 2_777
C1 N3 C8 C2 7(7) 2_777 . . 2_777
C2 C7 C8 C1 -134(35) 2_777 . . 2_777
C6 C7 C8 C1 28(15) . . . 2_777
C3 C7 C8 C1 17(18) 2_777 . . 2_777
N2 C7 C8 C1 20(14) 2_777 . . 2_777
C2 C7 C8 N3 -161(29) 2_777 . . .
C1 C7 C8 N3 -28(14) 2_777 . . .
C6 C7 C8 N3 0(9) . . . .
C3 C7 C8 N3 -11(14) 2_777 . . .
N2 C7 C8 N3 -8(5) 2_777 . . .
C2 C7 C8 N2 -154(32) 2_777 . . 2_777
C1 C7 C8 N2 -20(14) 2_777 . . 2_777
C6 C7 C8 N2 8(5) . . . 2_777
C3 C7 C8 N2 -3(11) 2_777 . . 2_777
C1 C7 C8 C2 134(35) 2_777 . . 2_777
C6 C7 C8 C2 161(36) . . . 2_777
C3 C7 C8 C2 150(40) 2_777 . . 2_777
N2 C7 C8 C2 154(32) 2_777 . . 2_777
C16 N5 C9 N6 -9(57) 2_667 . . 2_667
N4 N5 C9 N6 -14(54) . . . 2_667
C16 N5 C9 C12 6(19) 2_667 . . 2_667
N6 N5 C9 C12 15(43) 2_667 . . 2_667
N4 N5 C9 C12 0(15) . . . 2_667
C16 N5 C9 C10 5(14) 2_667 . . .
N6 N5 C9 C10 14(47) 2_667 . . .
N4 N5 C9 C10 0(9) . . . .
N6 N5 C9 C16 9(57) 2_667 . . 2_667
N4 N5 C9 C16 -5(7) . . . 2_667
N6 C9 C10 C12 -178(32) 2_667 . . 2_667
N5 C9 C10 C12 179(25) . . . 2_667
C16 C9 C10 C12 -180(24) 2_667 . . 2_667
N6 C9 C10 C13 9(38) 2_667 . . 2_667
C12 C9 C10 C13 -173(43) 2_667 . . 2_667
N5 C9 C10 C13 6(33) . . . 2_667
C16 C9 C10 C13 7(30) 2_667 . . 2_667
N6 C9 C10 C11 3(18) 2_667 . . .
C12 C9 C10 C11 -179(27) 2_667 . . .
N5 C9 C10 C11 0(11) . . . .
C16 C9 C10 C11 1(8) 2_667 . . .
C12 C9 C10 N6 178(32) 2_667 . . 2_667
N5 C9 C10 N6 -3(10) . . . 2_667
C16 C9 C10 N6 -1(13) 2_667 . . 2_667
N6 C9 C10 C14 3(18) 2_667 . . 2_667
C12 C9 C10 C14 -179(25) 2_667 . . 2_667
N5 C9 C10 C14 0(10) . . . 2_667
C16 C9 C10 C14 1(7) 2_667 . . 2_667
C12 C10 C11 C14 179(30) 2_667 . . 2_667
C13 C10 C11 C14 2(30) 2_667 . . 2_667
C9 C10 C11 C14 -180(32) . . . 2_667
N6 C10 C11 C14 -179(34) 2_667 . . 2_667
C12 C10 C11 C15 -3(39) 2_667 . . 2_667
C13 C10 C11 C15 179(27) 2_667 . . 2_667
C9 C10 C11 C15 -3(26) . . . 2_667
N6 C10 C11 C15 -2(23) 2_667 . . 2_667
C14 C10 C11 C15 177(56) 2_667 . . 2_667
C12 C10 C11 C13 178(22) 2_667 . . 2_667
C9 C10 C11 C13 178(8) . . . 2_667
N6 C10 C11 C13 179(8) 2_667 . . 2_667
C14 C10 C11 C13 -2(30) 2_667 . . 2_667
C12 C10 C11 N4 0(28) 2_667 . . .
C13 C10 C11 N4 -178(14) 2_667 . . .
C9 C10 C11 N4 0(13) . . . .
N6 C10 C11 N4 1(10) 2_667 . . .
C14 C10 C11 N4 -180(43) 2_667 . . .
C12 C10 C11 C14 179(18) 2_667 . . .
C13 C10 C11 C14 1(8) 2_667 . . .
C9 C10 C11 C14 179(9) . . . .
N6 C10 C11 C14 -180(10) 2_667 . . .
C14 C10 C11 C14 -1(25) 2_667 . . .
C13 C10 C11 C12 -178(22) 2_667 . . 2_667
C9 C10 C11 C12 1(19) . . . 2_667
N6 C10 C11 C12 2(20) 2_667 . . 2_667
C14 C10 C11 C12 -179(30) 2_667 . . 2_667
C12 C10 C11 C16 -2(24) 2_667 . . 2_667
C13 C10 C11 C16 -180(10) 2_667 . . 2_667
C9 C10 C11 C16 -1(8) . . . 2_667
N6 C10 C11 C16 -1(6) 2_667 . . 2_667
C14 C10 C11 C16 178(38) 2_667 . . 2_667
C15 N4 C11 C14 4(25) 2_667 . . 2_667
C16 N4 C11 C14 175(26) 2_667 . . 2_667
N5 N4 C11 C14 180(27) . . . 2_667
N6 N4 C11 C14 179(30) 2_667 . . 2_667
C16 N4 C11 C15 171(10) 2_667 . . 2_667
N5 N4 C11 C15 176(9) . . . 2_667
C14 N4 C11 C15 -4(25) 2_667 . . 2_667
N6 N4 C11 C15 175(9) 2_667 . . 2_667
C15 N4 C11 C13 -179(31) 2_667 . . 2_667
C16 N4 C11 C13 -8(30) 2_667 . . 2_667
N5 N4 C11 C13 -3(28) . . . 2_667
C14 N4 C11 C13 178(54) 2_667 . . 2_667
N6 N4 C11 C13 -4(25) 2_667 . . 2_667
C15 N4 C11 C10 -176(16) 2_667 . . .
C16 N4 C11 C10 -5(16) 2_667 . . .
N5 N4 C11 C10 0(13) . . . .
C14 N4 C11 C10 180(38) 2_667 . . .
N6 N4 C11 C10 -1(10) 2_667 . . .
C15 N4 C11 C14 5(7) 2_667 . . .
C16 N4 C11 C14 176(7) 2_667 . . .
N5 N4 C11 C14 -179(6) . . . .
C14 N4 C11 C14 1(22) 2_667 . . .
N6 N4 C11 C14 180(9) 2_667 . . .
C15 N4 C11 C12 -176(12) 2_667 . . 2_667
C16 N4 C11 C12 -5(12) 2_667 . . 2_667
N5 N4 C11 C12 0(8) . . . 2_667
C14 N4 C11 C12 180(34) 2_667 . . 2_667
N6 N4 C11 C12 -1(5) 2_667 . . 2_667
C15 N4 C11 C16 -171(10) 2_667 . . 2_667
N5 N4 C11 C16 5(6) . . . 2_667
C14 N4 C11 C16 -175(26) 2_667 . . 2_667
N6 N4 C11 C16 4(8) 2_667 . . 2_667
C9 N6 C12 C10 178(27) 2_667 . . 2_667
N5 N6 C12 C10 10(26) 2_667 . . 2_667
C16 N6 C12 C10 1(17) . . . 2_667
N4 N6 C12 C10 3(15) 2_667 . . 2_667
N5 N6 C12 C9 -169(33) 2_667 . . 2_667
C16 N6 C12 C9 -178(25) . . . 2_667
C10 N6 C12 C9 -178(27) 2_667 . . 2_667
N4 N6 C12 C9 -176(23) 2_667 . . 2_667
C9 N6 C12 C13 178(22) 2_667 . . .
N5 N6 C12 C13 9(22) 2_667 . . .
C16 N6 C12 C13 0(11) . . . .
C10 N6 C12 C13 -1(8) 2_667 . . .
N4 N6 C12 C13 2(8) 2_667 . . .
C9 N6 C12 C11 177(21) 2_667 . . 2_667
N5 N6 C12 C11 9(18) 2_667 . . 2_667
C16 N6 C12 C11 0(8) . . . 2_667
C10 N6 C12 C11 -1(14) 2_667 . . 2_667
N4 N6 C12 C11 1(6) 2_667 . . 2_667
C9 C12 C13 C10 8(49) 2_667 . . 2_667
N6 C12 C13 C10 6(54) . . . 2_667
C11 C12 C13 C10 6(60) 2_667 . . 2_667
C10 C12 C13 C11 -6(60) 2_667 . . 2_667
C9 C12 C13 C11 1(20) 2_667 . . 2_667
N6 C12 C13 C11 0(12) . . . 2_667
C10 C12 C13 C14 -6(60) 2_667 . . .
C9 C12 C13 C14 2(19) 2_667 . . .
N6 C12 C13 C14 0(10) . . . .
C11 C12 C13 C14 0(11) 2_667 . . .
C10 C12 C13 C14 -6(63) 2_667 . . 2_667
C9 C12 C13 C14 1(23) 2_667 . . 2_667
N6 C12 C13 C14 0(14) . . . 2_667
C11 C12 C13 C14 0(6) 2_667 . . 2_667
C10 C13 C14 C11 -1(25) 2_667 . . 2_667
C12 C13 C14 C11 -1(24) . . . 2_667
C14 C13 C14 C11 179(37) 2_667 . . 2_667
C10 C13 C14 C14 180(13) 2_667 . . 2_667
C11 C13 C14 C14 -179(36) 2_667 . . 2_667
C12 C13 C14 C14 -180(14) . . . 2_667
C10 C13 C14 C15 -1(10) 2_667 . . .
C11 C13 C14 C15 1(18) 2_667 . . .
C12 C13 C14 C15 0(10) . . . .
C14 C13 C14 C15 180(20) 2_667 . . .
C10 C13 C14 C11 179(6) 2_667 . . .
C11 C13 C14 C11 -179(22) 2_667 . . .
C12 C13 C14 C11 180(6) . . . .
C14 C13 C14 C11 0(15) 2_667 . . .
C10 C13 C14 N4 -2(7) 2_667 . . 2_667
C11 C13 C14 N4 -1(20) 2_667 . . 2_667
C12 C13 C14 N4 -2(7) . . . 2_667
C14 C13 C14 N4 178(17) 2_667 . . 2_667
C11 C13 C14 C10 1(25) 2_667 . . 2_667
C12 C13 C14 C10 1(7) . . . 2_667
C14 C13 C14 C10 -180(13) 2_667 . . 2_667
C10 C13 C14 C15 179(6) 2_667 . . 2_667
C11 C13 C14 C15 -179(26) 2_667 . . 2_667
C12 C13 C14 C15 -180(6) . . . 2_667
C14 C13 C14 C15 0(12) 2_667 . . 2_667
C10 C13 C14 C13 180(13) 2_667 . . 2_667
C11 C13 C14 C13 -179(37) 2_667 . . 2_667
C12 C13 C14 C13 -180(14) . . . 2_667
C14 C13 C14 C13 0.00(3) 2_667 . . 2_667
C14 C11 C14 C11 0(100) 2_667 . . 2_667
C15 C11 C14 C11 -94(100) 2_667 . . 2_667
C13 C11 C14 C11 85(100) 2_667 . . 2_667
C10 C11 C14 C11 85(100) . . . 2_667
N4 C11 C14 C11 -97(100) . . . 2_667
C12 C11 C14 C11 85(100) 2_667 . . 2_667
C16 C11 C14 C11 -94(100) 2_667 . . 2_667
C15 C11 C14 C14 -94(100) 2_667 . . 2_667
C13 C11 C14 C14 85(100) 2_667 . . 2_667
C10 C11 C14 C14 85(100) . . . 2_667
N4 C11 C14 C14 -97(100) . . . 2_667
C12 C11 C14 C14 85(100) 2_667 . . 2_667
C16 C11 C14 C14 -94(100) 2_667 . . 2_667
C14 C11 C14 C15 -85(100) 2_667 . . .
C15 C11 C14 C15 -180(10) 2_667 . . .
C13 C11 C14 C15 0(8) 2_667 . . .
C10 C11 C14 C15 -1(11) . . . .
N4 C11 C14 C15 178(11) . . . .
C12 C11 C14 C15 0(12) 2_667 . . .
C16 C11 C14 C15 -180(13) 2_667 . . .
C14 C11 C14 C13 95(100) 2_667 . . .
C15 C11 C14 C13 0(8) 2_667 . . .
C13 C11 C14 C13 180(10) 2_667 . . .
C10 C11 C14 C13 179(13) . . . .
N4 C11 C14 C13 -2(9) . . . .
C12 C11 C14 C13 180(14) 2_667 . . .
C16 C11 C14 C13 0(11) 2_667 . . .
C14 C11 C14 N4 -83(100) 2_667 . . 2_667
C15 C11 C14 N4 -177(9) 2_667 . . 2_667
C13 C11 C14 N4 2(9) 2_667 . . 2_667
C10 C11 C14 N4 1(13) . . . 2_667
N4 C11 C14 N4 -180(9) . . . 2_667
C12 C11 C14 N4 2(14) 2_667 . . 2_667
C16 C11 C14 N4 -177(11) 2_667 . . 2_667
C14 C11 C14 C10 95(100) 2_667 . . 2_667
C15 C11 C14 C10 1(11) 2_667 . . 2_667
C13 C11 C14 C10 -180(9) 2_667 . . 2_667
C10 C11 C14 C10 180(11) . . . 2_667
N4 C11 C14 C10 -1(12) . . . 2_667
C12 C11 C14 C10 -180(13) 2_667 . . 2_667
C16 C11 C14 C10 1(14) 2_667 . . 2_667
C14 C11 C14 C15 94(100) 2_667 . . 2_667
C13 C11 C14 C15 179(16) 2_667 . . 2_667
C10 C11 C14 C15 179(20) . . . 2_667
N4 C11 C14 C15 -2(4) . . . 2_667
C12 C11 C14 C15 179(20) 2_667 . . 2_667
C16 C11 C14 C15 0(6) 2_667 . . 2_667
C14 C11 C14 C13 -85(100) 2_667 . . 2_667
C15 C11 C14 C13 -179(16) 2_667 . . 2_667
C10 C11 C14 C13 -1(5) . . . 2_667
N4 C11 C14 C13 178(17) . . . 2_667
C12 C11 C14 C13 0(7) 2_667 . . 2_667
C16 C11 C14 C13 -179(19) 2_667 . . 2_667
C11 C14 C15 N4 -4(25) 2_667 . . 2_667
C14 C14 C15 N4 175(14) 2_667 . . 2_667
C13 C14 C15 N4 -5(12) . . . 2_667
C11 C14 C15 N4 175(8) . . . 2_667
C10 C14 C15 N4 -5(9) 2_667 . . 2_667
C15 C14 C15 N4 175(14) 2_667 . . 2_667
C13 C14 C15 N4 175(8) 2_667 . . 2_667
C14 C14 C15 C11 179(35) 2_667 . . 2_667
C13 C14 C15 C11 -1(18) . . . 2_667
C11 C14 C15 C11 179(21) . . . 2_667
N4 C14 C15 C11 4(25) 2_667 . . 2_667
C10 C14 C15 C11 -1(20) 2_667 . . 2_667
C15 C14 C15 C11 179(35) 2_667 . . 2_667
C13 C14 C15 C11 179(25) 2_667 . . 2_667
C11 C14 C15 C16 1(24) 2_667 . . .
C14 C14 C15 C16 180(13) 2_667 . . .
C13 C14 C15 C16 0(10) . . . .
C11 C14 C15 C16 -180(5) . . . .
N4 C14 C15 C16 5(5) 2_667 . . .
C10 C14 C15 C16 0(7) 2_667 . . .
C15 C14 C15 C16 180(13) 2_667 . . .
C13 C14 C15 C16 180(6) 2_667 . . .
C11 C14 C15 C14 -179(35) 2_667 . . 2_667
C13 C14 C15 C14 -180(20) . . . 2_667
C11 C14 C15 C14 0(14) . . . 2_667
N4 C14 C15 C14 -175(14) 2_667 . . 2_667
C10 C14 C15 C14 -180(16) 2_667 . . 2_667
C15 C14 C15 C14 0.000(16) 2_667 . . 2_667
C13 C14 C15 C14 0(11) 2_667 . . 2_667
C9 N6 C16 N5 163(100) 2_667 . . 2_667
C12 N6 C16 N5 173(10) . . . 2_667
C10 N6 C16 N5 173(9) 2_667 . . 2_667
N4 N6 C16 N5 169(12) 2_667 . . 2_667
C9 N6 C16 N4 -5(100) 2_667 . . 2_667
N5 N6 C16 N4 -169(12) 2_667 . . 2_667
C12 N6 C16 N4 4(12) . . . 2_667
C10 N6 C16 N4 5(10) 2_667 . . 2_667
C9 N6 C16 C15 -10(100) 2_667 . . .
N5 N6 C16 C15 -173(11) 2_667 . . .
C12 N6 C16 C15 0(10) . . . .
C10 N6 C16 C15 0(8) 2_667 . . .
N4 N6 C16 C15 -4(5) 2_667 . . .
C9 N6 C16 C11 -9(100) 2_667 . . 2_667
N5 N6 C16 C11 -173(10) 2_667 . . 2_667
C12 N6 C16 C11 0(8) . . . 2_667
C10 N6 C16 C11 1(6) 2_667 . . 2_667
N4 N6 C16 C11 -4(8) 2_667 . . 2_667
N5 N6 C16 C9 -163(100) 2_667 . . 2_667
C12 N6 C16 C9 10(98) . . . 2_667
C10 N6 C16 C9 10(100) 2_667 . . 2_667
N4 N6 C16 C9 5(100) 2_667 . . 2_667
N4 C15 C16 N5 108(66) 2_667 . . 2_667
C11 C15 C16 N5 -8(20) 2_667 . . 2_667
C14 C15 C16 N5 -8(20) . . . 2_667
C14 C15 C16 N5 -8(23) 2_667 . . 2_667
C11 C15 C16 N4 -115(65) 2_667 . . 2_667
C14 C15 C16 N4 -116(64) . . . 2_667
C14 C15 C16 N4 -115(65) 2_667 . . 2_667
N4 C15 C16 N6 116(64) 2_667 . . .
C11 C15 C16 N6 0(11) 2_667 . . .
C14 C15 C16 N6 0(9) . . . .
C14 C15 C16 N6 0(13) 2_667 . . .
N4 C15 C16 C11 115(65) 2_667 . . 2_667
C14 C15 C16 C11 0(11) . . . 2_667
C14 C15 C16 C11 0(6) 2_667 . . 2_667
N4 C15 C16 C9 115(64) 2_667 . . 2_667
C11 C15 C16 C9 0(10) 2_667 . . 2_667
C14 C15 C16 C9 -1(8) . . . 2_667
C14 C15 C16 C9 0(12) 2_667 . . 2_667
N7 N8 C17 N9 0(14) . . . 2_675
C20 N8 C17 N9 1(18) 2_675 . . 2_675
N9 N8 C17 C18 1(15) 2_675 . . .
N7 N8 C17 C18 0(19) . . . .
C20 N8 C17 C18 2(21) 2_675 . . .
N9 N8 C17 C24 2(13) 2_675 . . 2_675
N7 N8 C17 C24 1(17) . . . 2_675
C20 N8 C17 C24 3(20) 2_675 . . 2_675
N9 C17 C18 C24 5(100) 2_675 . . 2_675
N8 C17 C18 C24 5(100) . . . 2_675
N9 C17 C18 C19 0(13) 2_675 . . .
N8 C17 C18 C19 0(20) . . . .
C24 C17 C18 C19 -5(93) 2_675 . . .
N8 C17 C18 N9 0(9) . . . 2_675
C24 C17 C18 N9 -5(100) 2_675 . . 2_675
N9 C17 C18 C23 2(35) 2_675 . . 2_675
N8 C17 C18 C23 2(42) . . . 2_675
C24 C17 C18 C23 -3(71) 2_675 . . 2_675
C24 C18 C19 C23 139(100) 2_675 . . 2_675
C17 C18 C19 C23 179(18) . . . 2_675
N9 C18 C19 C23 179(9) 2_675 . . 2_675
C17 C18 C19 C24 40(100) . . . 2_675
N9 C18 C19 C24 40(100) 2_675 . . 2_675
C23 C18 C19 C24 -139(100) 2_675 . . 2_675
C24 C18 C19 N7 -40(100) 2_675 . . .
C17 C18 C19 N7 0(25) . . . .
N9 C18 C19 N7 0(17) 2_675 . . .
C23 C18 C19 N7 -179(14) 2_675 . . .
C24 C18 C19 C22 141(100) 2_675 . . .
C17 C18 C19 C22 -179(5) . . . .
N9 C18 C19 C22 -179(13) 2_675 . . .
C23 C18 C19 C22 2(20) 2_675 . . .
C24 C18 C19 N9 -40(100) 2_675 . . 2_675
C17 C18 C19 N9 0(11) . . . 2_675
C23 C18 C19 N9 -179(9) 2_675 . . 2_675
C24 C18 C19 C21 -44(100) 2_675 . . 2_675
C17 C18 C19 C21 -5(60) . . . 2_675
N9 C18 C19 C21 -4(50) 2_675 . . 2_675
C23 C18 C19 C21 177(43) 2_675 . . 2_675
C24 C18 C19 C20 -41(100) 2_675 . . 2_675
C17 C18 C19 C20 -1(26) . . . 2_675
N9 C18 C19 C20 -1(18) 2_675 . . 2_675
C23 C18 C19 C20 -180(15) 2_675 . . 2_675
C20 N7 C19 C23 27(100) 2_675 . . 2_675
N9 N7 C19 C23 -172(63) 2_675 . . 2_675
C21 N7 C19 C23 9(82) 2_675 . . 2_675
N8 N7 C19 C23 -172(59) . . . 2_675
C20 N7 C19 C24 -163(100) 2_675 . . 2_675
N9 N7 C19 C24 -2(22) 2_675 . . 2_675
C21 N7 C19 C24 -180(16) 2_675 . . 2_675
N8 N7 C19 C24 -1(26) . . . 2_675
C20 N7 C19 C18 -161(100) 2_675 . . .
N9 N7 C19 C18 0(21) 2_675 . . .
C21 N7 C19 C18 -178(15) 2_675 . . .
N8 N7 C19 C18 0(25) . . . .
C20 N7 C19 C22 19(100) 2_675 . . .
N9 N7 C19 C22 179(9) 2_675 . . .
C21 N7 C19 C22 1(13) 2_675 . . .
N8 N7 C19 C22 180(13) . . . .
C20 N7 C19 N9 -161(100) 2_675 . . 2_675
C21 N7 C19 N9 -178(21) 2_675 . . 2_675
N8 N7 C19 N9 0(7) . . . 2_675
C20 N7 C19 C21 17(100) 2_675 . . 2_675
N9 N7 C19 C21 178(21) 2_675 . . 2_675
N8 N7 C19 C21 178(26) . . . 2_675
N9 N7 C19 C20 161(100) 2_675 . . 2_675
C21 N7 C19 C20 -17(100) 2_675 . . 2_675
N8 N7 C19 C20 161(100) . . . 2_675
N8 N9 C20 N7 -171(100) 2_675 . . 2_675
C17 N9 C20 N7 -179(100) 2_675 . . 2_675
C24 N9 C20 N7 8(100) . . . 2_675
C19 N9 C20 N7 8(100) 2_675 . . 2_675
C18 N9 C20 N7 9(100) 2_675 . . 2_675
N8 N9 C20 C21 -179(29) 2_675 . . .
C17 N9 C20 C21 174(80) 2_675 . . .
N7 N9 C20 C21 -8(100) 2_675 . . .
C24 N9 C20 C21 0(36) . . . .
C19 N9 C20 C21 0(22) 2_675 . . .
C18 N9 C20 C21 2(40) 2_675 . . .
C17 N9 C20 N8 -8(100) 2_675 . . 2_675
N7 N9 C20 N8 171(100) 2_675 . . 2_675
C24 N9 C20 N8 179(17) . . . 2_675
C19 N9 C20 N8 179(10) 2_675 . . 2_675
C18 N9 C20 N8 -180(19) 2_675 . . 2_675
N8 N9 C20 C19 -179(10) 2_675 . . 2_675
C17 N9 C20 C19 174(100) 2_675 . . 2_675
N7 N9 C20 C19 -8(100) 2_675 . . 2_675
C24 N9 C20 C19 0(17) . . . 2_675
C18 N9 C20 C19 1(21) 2_675 . . 2_675
N9 C20 C21 N7 5(90) . . . 2_675
N8 C20 C21 N7 3(58) 2_675 . . 2_675
C19 C20 C21 N7 5(100) 2_675 . . 2_675
N7 C20 C21 C22 -5(100) 2_675 . . .
N9 C20 C21 C22 0(35) . . . .
N8 C20 C21 C22 -2(68) 2_675 . . .
C19 C20 C21 C22 0(16) 2_675 . . .
N7 C20 C21 C23 -145(100) 2_675 . . 2_675
N9 C20 C21 C23 -140(100) . . . 2_675
N8 C20 C21 C23 -142(100) 2_675 . . 2_675
C19 C20 C21 C23 -140(100) 2_675 . . 2_675
N7 C20 C21 C19 -5(100) 2_675 . . 2_675
N9 C20 C21 C19 0(20) . . . 2_675
N8 C20 C21 C19 -2(52) 2_675 . . 2_675
N7 C21 C22 C23 179(14) 2_675 . . 2_675
C20 C21 C22 C23 -180(18) . . . 2_675
C19 C21 C22 C23 -180(3) 2_675 . . 2_675
N7 C21 C22 C23 -1(14) 2_675 . . .
C20 C21 C22 C23 0(18) . . . .
C23 C21 C22 C23 180.000(5) 2_675 . . .
C19 C21 C22 C23 0(3) 2_675 . . .
N7 C21 C22 C21 -98(100) 2_675 . . 2_675
C20 C21 C22 C21 -97(100) . . . 2_675
C23 C21 C22 C21 83(100) 2_675 . . 2_675
C19 C21 C22 C21 -97(100) 2_675 . . 2_675
N7 C21 C22 C19 179(14) 2_675 . . .
C20 C21 C22 C19 180(18) . . . .
C23 C21 C22 C19 0(3) 2_675 . . .
C19 C21 C22 C19 180.000(4) 2_675 . . .
N7 C21 C22 C19 -1(14) 2_675 . . 2_675
C20 C21 C22 C19 0(18) . . . 2_675
C23 C21 C22 C19 180(3) 2_675 . . 2_675
C24 C19 C22 C23 0(24) 2_675 . . 2_675
C18 C19 C22 C23 -2(21) . . . 2_675
N7 C19 C22 C23 178(13) . . . 2_675
N9 C19 C22 C23 179(10) 2_675 . . 2_675
C21 C19 C22 C23 180(4) 2_675 . . 2_675
C20 C19 C22 C23 180(13) 2_675 . . 2_675
C23 C19 C22 C23 180.000(7) 2_675 . . .
C24 C19 C22 C23 -180(24) 2_675 . . .
C18 C19 C22 C23 178(21) . . . .
N7 C19 C22 C23 -2(13) . . . .
N9 C19 C22 C23 -1(10) 2_675 . . .
C21 C19 C22 C23 0(4) 2_675 . . .
C20 C19 C22 C23 0(13) 2_675 . . .
C23 C19 C22 C21 0(4) 2_675 . . .
C24 C19 C22 C21 1(25) 2_675 . . .
C18 C19 C22 C21 -2(22) . . . .
N7 C19 C22 C21 179(13) . . . .
N9 C19 C22 C21 180(7) 2_675 . . .
C21 C19 C22 C21 180.000(6) 2_675 . . .
C20 C19 C22 C21 180(12) 2_675 . . .
C23 C19 C22 C21 -180(4) 2_675 . . 2_675
C24 C19 C22 C21 -179(25) 2_675 . . 2_675
C18 C19 C22 C21 178(22) . . . 2_675
N7 C19 C22 C21 -1(13) . . . 2_675
N9 C19 C22 C21 0(7) 2_675 . . 2_675
C20 C19 C22 C21 0(12) 2_675 . . 2_675
C23 C19 C22 C19 -121(100) 2_675 . . 2_675
C24 C19 C22 C19 -121(100) 2_675 . . 2_675
C18 C19 C22 C19 -124(100) . . . 2_675
N7 C19 C22 C19 57(100) . . . 2_675
N9 C19 C22 C19 58(100) 2_675 . . 2_675
C21 C19 C22 C19 58(100) 2_675 . . 2_675
C20 C19 C22 C19 58(100) 2_675 . . 2_675
C23 C22 C23 C19 105(100) 2_675 . . 2_675
C21 C22 C23 C19 0(4) . . . 2_675
C21 C22 C23 C19 180(4) 2_675 . . 2_675
C19 C22 C23 C19 180.000(2) . . . 2_675
C23 C22 C23 C24 106(100) 2_675 . . .
C21 C22 C23 C24 0(14) . . . .
C21 C22 C23 C24 180(14) 2_675 . . .
C19 C22 C23 C24 -180(13) . . . .
C19 C22 C23 C24 0(13) 2_675 . . .
C23 C22 C23 C21 -74(100) 2_675 . . 2_675
C21 C22 C23 C21 180.000(8) . . . 2_675
C19 C22 C23 C21 0(4) . . . 2_675
C19 C22 C23 C21 -180(4) 2_675 . . 2_675
C23 C22 C23 C18 104(100) 2_675 . . 2_675
C21 C22 C23 C18 -2(15) . . . 2_675
C21 C22 C23 C18 178(15) 2_675 . . 2_675
C19 C22 C23 C18 178(15) . . . 2_675
C19 C22 C23 C18 -2(15) 2_675 . . 2_675
C19 C23 C24 C18 -172(100) 2_675 . . 2_675
C22 C23 C24 C18 -172(100) . . . 2_675
C21 C23 C24 C18 -56(100) 2_675 . . 2_675
C22 C23 C24 C19 0(16) . . . 2_675
C21 C23 C24 C19 116(100) 2_675 . . 2_675
C18 C23 C24 C19 172(100) 2_675 . . 2_675
C19 C23 C24 N9 0(12) 2_675 . . .
C22 C23 C24 N9 0(28) . . . .
C21 C23 C24 N9 116(100) 2_675 . . .
C18 C23 C24 N9 172(100) 2_675 . . .
C19 C23 C24 C17 -3(97) 2_675 . . 2_675
C22 C23 C24 C17 -4(100) . . . 2_675
C21 C23 C24 C17 113(100) 2_675 . . 2_675
C18 C23 C24 C17 169(100) 2_675 . . 2_675
N8 N9 C24 C18 -12(100) 2_675 . . 2_675
C17 N9 C24 C18 -6(100) 2_675 . . 2_675
N7 N9 C24 C18 174(100) 2_675 . . 2_675
C20 N9 C24 C18 173(100) . . . 2_675
C19 N9 C24 C18 173(100) 2_675 . . 2_675
N8 N9 C24 C19 175(42) 2_675 . . 2_675
C17 N9 C24 C19 -179(15) 2_675 . . 2_675
N7 N9 C24 C19 2(21) 2_675 . . 2_675
C20 N9 C24 C19 0(24) . . . 2_675
C18 N9 C24 C19 -173(100) 2_675 . . 2_675
N8 N9 C24 C23 175(35) 2_675 . . .
C17 N9 C24 C23 -179(24) 2_675 . . .
N7 N9 C24 C23 1(28) 2_675 . . .
C20 N9 C24 C23 0(31) . . . .
C19 N9 C24 C23 0(10) 2_675 . . .
C18 N9 C24 C23 -173(100) 2_675 . . .
N8 N9 C24 C17 -6(51) 2_675 . . 2_675
N7 N9 C24 C17 -180(16) 2_675 . . 2_675
C20 N9 C24 C17 179(18) . . . 2_675
C19 N9 C24 C17 179(15) 2_675 . . 2_675
C18 N9 C24 C17 6(100) 2_675 . . 2_675
