#------------------------------------------------------------------------------
#$Date: 2019-05-14 07:33:19 +0300 (Tue, 14 May 2019) $
#$Revision: 215127 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/83/2108393.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2108393
loop_
_publ_author_name
'Wang, Xiaoge'
'Shen, Yihan'
'Liu, Rongli'
'Liu, Xiaolong'
'Lin, Cong'
'Shi, Dier'
'Chen, Yanping'
'Liao, Fuhui'
'Lin, Jianhua'
'Sun, Junliang'
_publ_section_title
;
 Elucidation of correlated disorder in zeolite IM-18
;
_journal_coeditor_code           DQ5034SUP1
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2052520619003172
_journal_volume                  75
_journal_year                    2019
_chemical_formula_sum            'C7 H11 F Ge3.84 N2 O24 Si8.16'
_chemical_formula_weight         1034.14
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           74
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.9725(14)
_cell_length_b                   5.2733(6)
_cell_length_c                   17.0318(17)
_cell_measurement_reflns_used    1058
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      29.4610
_cell_measurement_theta_min      4.3200
_cell_volume                     1344.7(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100.00(10)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'XtaLAB Pro: Kappa single'
_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  0.0290
_diffrn_reflns_av_sigmaI/netI    0.0306
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            2926
_diffrn_reflns_theta_full        27.88
_diffrn_reflns_theta_max         27.88
_diffrn_reflns_theta_min         3.62
_exptl_absorpt_coefficient_mu    4.734
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.952
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    2.554
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bulky
_exptl_crystal_F_000             1010
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.005
_refine_diff_density_max         0.595
_refine_diff_density_min         -0.639
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     89
_refine_ls_number_reflns         904
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0366
_refine_ls_R_factor_gt           0.0288
_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)+(0.0298P)²+3.4025P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0685
_refine_ls_wR_factor_ref         0.0717
_reflns_number_gt                769
_reflns_number_total             904
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            dq5034sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      Imma
_cod_database_code               2108393
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y+1/2, z'
'-x, y+1/2, -z'
'x, -y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1, z+1/2'
'-x+1/2, y+1, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x, y-1/2, -z'
'x, -y-1/2, z'
'-x, y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y, -z+1/2'
'x+1/2, -y, z+1/2'
'-x+1/2, y+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.72466(5) 0.7500 0.55026(4) 0.0092(2) Uani 0.064(2) 2 d SP . 1
Si1 Si 0.72466(5) 0.7500 0.55026(4) 0.0092(2) Uani 0.936(2) 2 d SP . 1
O1 O 0.69908(18) 0.5000 0.5000 0.0297(6) Uani 1 2 d S . 1
O2 O 0.83132(15) 0.7500 0.57114(15) 0.0252(6) Uani 1 2 d S . 1
O3 O 0.66640(16) 0.7500 0.63052(14) 0.0264(6) Uani 1 2 d S . 1
Ge2 Ge 0.60355(4) 0.54692(12) 0.87030(3) 0.0099(2) Uani 0.2675(12) 1 d P . 1
Si2 Si 0.60355(4) 0.54692(12) 0.87030(3) 0.0099(2) Uani 0.2325(12) 1 d P . 1
Ge3 Ge 0.60509(4) 0.54709(13) 0.68732(4) 0.0082(2) Uani 0.1806(14) 1 d P . 1
Si3 Si 0.60509(4) 0.54709(13) 0.68732(4) 0.0082(2) Uani 0.3194(14) 1 d P . 1
O4 O 0.6417(4) 0.2500 0.6732(3) 0.0270(11) Uani 0.50 2 d SP . 1
O5 O 0.5000 0.5829(10) 0.6566(3) 0.0263(11) Uani 0.50 2 d SP . 1
O6 O 0.6437(3) 0.2500 0.8873(3) 0.0266(11) Uani 0.50 2 d SP . 1
O7 O 0.5000 0.6102(10) 0.9054(3) 0.0259(11) Uani 0.50 2 d SP . 1
O8 O 0.6220(2) 0.6529(7) 0.77793(19) 0.0271(8) Uani 0.50 1 d P . 1
F1 F 0.5000 0.2500 0.7878(3) 0.086(3) Uiso 0.50 4 d SP A 1
N01 N -0.0629 0.2500 0.5827(3) 0.032(3) Uiso 0.25 2 d SPR . 2
C01 C 0.0266 0.2500 0.5883(3) 0.028(3) Uiso 0.25 2 d SPR . 2
C02 C 0.0735 0.2500 0.6572(3) 0.043(4) Uiso 0.25 2 d SPR . 2
C03 C 0.0274 0.2500 0.7284(3) 0.048(5) Uiso 0.25 2 d SPR . 2
C04 C -0.0659 0.2500 0.7228(3) 0.037(4) Uiso 0.25 2 d SPR . 2
C05 C -0.1054 0.2500 0.6506(3) 0.033(4) Uiso 0.25 2 d SPR . 2
N02 N 0.0705 0.2500 0.7983(3) 0.034(3) Uiso 0.25 2 d SPR . 2
C06 C 0.1662 0.2500 0.8016(3) 0.041(4) Uiso 0.25 2 d SPR . 2
C07 C 0.0207 0.2696 0.8708(3) 0.041(4) Uiso 0.125 1 d PR . 2
H00 H -0.0935 0.2500 0.5235 0.08(2) Uiso 0.25 2 d SPR A 2
H01 H 0.0599 0.2500 0.5366 0.08(2) Uiso 0.25 2 d SPR A 2
H02 H 0.1367 0.2500 0.6551 0.08(2) Uiso 0.25 2 d SPR A 2
H04 H -0.1023 0.2500 0.7695 0.08(2) Uiso 0.25 2 d SPR A 2
H05 H -0.1718 0.2500 0.6469 0.08(2) Uiso 0.25 2 d SPR A 2
H06A H 0.1936 0.3764 0.7659 0.08(2) Uiso 0.125 1 d PR A 2
H06B H 0.1859 0.2500 0.8563 0.08(2) Uiso 0.25 2 d SPR A 2
H06C H 0.1856 0.0767 0.7806 0.08(2) Uiso 0.125 1 d PR A 2
H07A H 0.0637 0.2989 0.9134 0.08(2) Uiso 0.125 1 d PR A 2
H07B H -0.0260 0.4082 0.8700 0.08(2) Uiso 0.125 1 d PR A 2
H07C H -0.0120 0.1077 0.8815 0.08(2) Uiso 0.125 1 d PR A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 '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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 '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'
H H 0.0000 0.0000 '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
O1 Ge1 O1 109.15(7) . 10_566
O1 Ge1 O3 108.58(8) . .
O1 Ge1 O3 108.58(8) 10_566 .
O1 Ge1 O2 110.25(10) . .
O1 Ge1 O2 110.25(10) 10_566 .
O3 Ge1 O2 109.99(13) . .
Ge1 O1 Si1 152.62(19) . 10_556
Ge1 O1 Ge1 152.62(19) . 10_556
Si1 O1 Ge1 0.00(4) 10_556 10_556
Ge1 O2 Si2 131.65(10) . 13_666
Ge1 O2 Ge2 131.65(10) . 13_666
Si2 O2 Ge2 0.00(3) 13_666 13_666
Ge1 O2 Si2 131.65(10) . 7_646
Si2 O2 Si2 75.03(10) 13_666 7_646
Ge2 O2 Si2 75.03(10) 13_666 7_646
Ge1 O2 Ge2 131.65(10) . 7_646
Si2 O2 Ge2 75.03(10) 13_666 7_646
Ge2 O2 Ge2 75.03(10) 13_666 7_646
Si2 O2 Ge2 0.00(4) 7_646 7_646
Ge1 O3 Ge3 139.98(7) . .
Ge1 O3 Si3 139.98(7) . 11_575
Ge3 O3 Si3 77.48(11) . 11_575
Ge1 O3 Ge3 139.98(7) . 11_575
Ge3 O3 Ge3 77.48(11) . 11_575
Si3 O3 Ge3 0.00(5) 11_575 11_575
O8 Ge2 O7 114.3(2) . .
O8 Ge2 O6 113.8(2) . .
O7 Ge2 O6 116.4(2) . .
O8 Ge2 O2 103.62(15) . 13_666
O7 Ge2 O2 100.81(18) . 13_666
O6 Ge2 O2 105.53(17) . 13_666
O8 Ge2 Si2 70.72(13) . 11_575
O7 Ge2 Si2 78.65(18) . 11_575
O6 Ge2 Si2 156.91(16) . 11_575
O2 Ge2 Si2 52.48(5) 13_666 11_575
O8 Ge2 Ge2 70.72(13) . 11_575
O7 Ge2 Ge2 78.65(18) . 11_575
O6 Ge2 Ge2 156.91(16) . 11_575
O2 Ge2 Ge2 52.48(5) 13_666 11_575
Si2 Ge2 Ge2 0.00(4) 11_575 11_575
O8 Ge2 O8 25.46(19) . 11_575
O7 Ge2 O8 102.7(2) . 11_575
O6 Ge2 O8 136.3(2) . 11_575
O2 Ge2 O8 84.25(11) 13_666 11_575
Si2 Ge2 O8 45.26(9) 11_575 11_575
Ge2 Ge2 O8 45.26(9) 11_575 11_575
O8 Ge3 O5 113.4(2) . .
O8 Ge3 O4 113.4(2) . .
O5 Ge3 O4 111.7(3) . .
O8 Ge3 O3 103.51(15) . .
O5 Ge3 O3 104.95(19) . .
O4 Ge3 O3 109.13(18) . .
O8 Ge3 Si3 70.37(13) . 11_575
O5 Ge3 Si3 83.50(19) . 11_575
O4 Ge3 Si3 159.07(17) . 11_575
O3 Ge3 Si3 51.26(5) . 11_575
O8 Ge3 Ge3 70.37(13) . 11_575
O5 Ge3 Ge3 83.50(19) . 11_575
O4 Ge3 Ge3 159.07(17) . 11_575
O3 Ge3 Ge3 51.26(5) . 11_575
Si3 Ge3 Ge3 0.00(5) 11_575 11_575
O8 Ge3 O8 25.70(19) . 11_575
O5 Ge3 O8 104.2(2) . 11_575
O4 Ge3 O8 136.6(2) . 11_575
O3 Ge3 O8 83.47(11) . 11_575
Si3 Ge3 O8 44.67(9) 11_575 11_575
Ge3 Ge3 O8 44.67(9) 11_575 11_575
Si3 O4 Ge3 0.00(4) 11_565 11_565
Si3 O4 Ge3 138.1(3) 11_565 .
Ge3 O4 Ge3 138.1(3) 11_565 .
Si3 O5 Ge3 0.000(15) 12_655 12_655
Si3 O5 Ge3 141.1(3) 12_655 .
Ge3 O5 Ge3 141.1(3) 12_655 .
Si3 O5 O5 96.50(18) 12_655 2_665
Ge3 O5 O5 96.50(18) 12_655 2_665
Ge3 O5 O5 96.50(19) . 2_665
Si2 O6 Ge2 0.00(3) 11_565 11_565
Si2 O6 Ge2 133.8(3) 11_565 .
Ge2 O6 Ge2 133.8(3) 11_565 .
O7 O7 Si2 101.35(18) 2_665 12_655
O7 O7 Ge2 101.35(18) 2_665 12_655
Si2 O7 Ge2 0.00(4) 12_655 12_655
O7 O7 Ge2 101.35(18) 2_665 .
Si2 O7 Ge2 132.4(3) 12_655 .
Ge2 O7 Ge2 132.4(3) 12_655 .
O8 O8 Ge3 109.63(13) 11_575 .
O8 O8 Ge2 109.28(13) 11_575 .
Ge3 O8 Ge2 136.7(2) . .
O8 O8 Si3 44.67(9) 11_575 11_575
Ge3 O8 Si3 64.96(12) . 11_575
Ge2 O8 Si3 149.4(2) . 11_575
O8 O8 Ge3 44.67(9) 11_575 11_575
Ge3 O8 Ge3 64.96(12) . 11_575
Ge2 O8 Ge3 149.4(2) . 11_575
Si3 O8 Ge3 0.00(4) 11_575 11_575
O8 O8 Ge2 45.26(9) 11_575 11_575
Ge3 O8 Ge2 150.2(2) . 11_575
Ge2 O8 Ge2 64.02(12) . 11_575
Si3 O8 Ge2 88.32(13) 11_575 11_575
Ge3 O8 Ge2 88.32(13) 11_575 11_575
O8 O8 Si2 45.26(9) 11_575 11_575
Ge3 O8 Si2 150.2(2) . 11_575
Ge2 O8 Si2 64.02(12) . 11_575
Si3 O8 Si2 88.32(13) 11_575 11_575
Ge3 O8 Si2 88.32(13) 11_575 11_575
Ge2 O8 Si2 0.00(3) 11_575 11_575
C01 N01 C02 87.1 2 2
C01 N01 C05 108.9 2 .
C02 N01 C05 21.7 2 .
C01 N01 C01 5.9 2 .
C02 N01 C01 93.0 2 .
C05 N01 C01 114.8 . .
C01 N01 N01 10.0 2 2
C02 N01 N01 97.1 2 2
C05 N01 N01 118.9 . 2
C01 N01 N01 4.1 . 2
C01 N01 H00 124.4 2 .
C02 N01 H00 148.4 2 .
C05 N01 H00 126.7 . .
C01 N01 H00 118.5 . .
N01 N01 H00 114.4 2 .
N01 C01 C01 170.0 2 2
N01 C01 N01 165.9 2 .
C01 C01 N01 4.1 2 .
N01 C01 C02 69.1 2 .
C01 C01 C02 120.9 2 .
N01 C01 C02 125.0 . .
N01 C01 C05 51.9 2 2
C01 C01 C05 138.1 2 2
N01 C01 C05 142.2 . 2
C02 C01 C05 17.2 . 2
N01 C01 C02 151.9 2 2
C01 C01 C02 38.1 2 2
N01 C01 C02 42.1 . 2
C02 C01 C02 82.9 . 2
C05 C01 C02 100.0 2 2
N01 C01 H01 50.5 2 .
C01 C01 H01 119.5 2 .
N01 C01 H01 115.4 . .
C02 C01 H01 119.6 . .
C05 C01 H01 102.4 2 .
C02 C01 H01 157.5 2 .
C05 C02 C04 109.1 2 2
C05 C02 N01 83.9 2 2
C04 C02 N01 167.0 2 2
C05 C02 C01 107.6 2 .
C04 C02 C01 143.3 2 .
N01 C02 C01 23.8 2 .
C05 C02 C03 132.9 2 .
C04 C02 C03 23.8 2 .
N01 C02 C03 143.2 2 .
C01 C02 C03 119.5 . .
C05 C02 C01 128.7 2 2
C04 C02 C01 122.2 2 2
N01 C02 C01 44.8 2 2
C01 C02 C01 21.0 . 2
C03 C02 C01 98.4 . 2
C05 C02 C03 154.5 2 2
C04 C02 C03 45.4 2 2
N01 C02 C03 121.6 2 2
C01 C02 C03 97.8 . 2
C03 C02 C03 21.6 . 2
C01 C02 C03 76.8 2 2
C05 C02 H02 11.1 2 .
C04 C02 H02 98.0 2 .
N01 C02 H02 95.0 2 .
C01 C02 H02 118.8 . .
C03 C02 H02 121.8 . .
C01 C02 H02 139.8 2 .
C03 C02 H02 143.4 2 .
C04 C03 C03 170.6 2 2
C04 C03 N02 70.9 2 .
C03 C03 N02 118.5 2 .
C04 C03 C02 51.0 2 .
C03 C03 C02 119.6 2 .
N02 C03 C02 121.9 . .
C04 C03 C04 166.8 2 .
C03 C03 C04 3.9 2 .
N02 C03 C04 122.3 . .
C02 C03 C04 115.7 . .
C04 C03 C05 39.3 2 2
C03 C03 C05 131.4 2 2
N02 C03 C05 110.2 . 2
C02 C03 C05 11.8 . 2
C04 C03 C05 127.5 . 2
C04 C03 N02 150.3 2 2
C03 C03 N02 39.1 2 2
N02 C03 N02 79.4 . 2
C02 C03 N02 158.7 . 2
C04 C03 N02 43.0 . 2
C05 C03 N02 170.5 2 2
C04 C03 C02 131.9 2 2
C03 C03 C02 38.8 2 2
N02 C03 C02 157.2 . 2
C02 C03 C02 80.9 . 2
C04 C03 C02 34.9 . 2
C05 C03 C02 92.6 2 2
N02 C03 C02 77.8 2 2
C03 C04 C02 105.2 2 2
C03 C04 N02 83.7 2 2
C02 C04 N02 171.1 2 2
C03 C04 C05 125.1 2 .
C02 C04 C05 19.9 2 .
N02 C04 C05 151.2 2 .
C03 C04 C03 5.5 2 .
C02 C04 C03 99.7 2 .
N02 C04 C03 89.2 2 .
C05 C04 C03 119.6 . .
C03 C04 C04 9.4 2 2
C02 C04 C04 95.8 2 2
N02 C04 C04 93.1 2 2
C05 C04 C04 115.7 . 2
C03 C04 C04 3.9 . 2
C03 C04 C06 128.9 2 2
C02 C04 C06 126.0 2 2
N02 C04 C06 45.1 2 2
C05 C04 C06 106.1 . 2
C03 C04 C06 134.3 . 2
C04 C04 C06 138.2 2 2
C03 C04 H04 115.1 2 .
C02 C04 H04 139.8 2 .
N02 C04 H04 31.3 2 .
C05 C04 H04 119.9 . .
C03 C04 H04 120.5 . .
C04 C04 H04 124.4 2 .
C06 C04 H04 13.8 2 .
C02 C05 N01 74.4 2 .
C02 C05 C04 51.0 2 .
N01 C05 C04 125.4 . .
C02 C05 C01 55.2 2 2
N01 C05 C01 19.2 . 2
C04 C05 C01 106.2 . 2
C02 C05 C03 35.3 2 2
N01 C05 C03 109.7 . 2
C04 C05 C03 15.7 . 2
C01 C05 C03 90.5 2 2
C02 C05 H05 170.3 2 .
N01 C05 H05 115.3 . .
C04 C05 H05 119.3 . .
C01 C05 H05 134.5 2 .
C03 C05 H05 135.0 2 .
C04 N02 C03 25.4 2 .
C04 N02 C06 95.3 2 .
C03 N02 C06 120.7 . .
C04 N02 C07 145.5 2 .
C03 N02 C07 120.3 . .
C06 N02 C07 118.9 . .
C04 N02 C07 145.5 2 11_565
C03 N02 C07 120.3 . 11_565
C06 N02 C07 118.9 . 11_565
C07 N02 C07 8.2 . 11_565
C04 N02 C07 128.9 2 12
C03 N02 C07 103.6 . 12
C06 N02 C07 135.6 . 12
C07 N02 C07 16.8 . 12
C07 N02 C07 18.3 11_565 12
C04 N02 C07 128.9 2 2
C03 N02 C07 103.6 . 2
C06 N02 C07 135.6 . 2
C07 N02 C07 18.3 . 2
C07 N02 C07 16.8 11_565 2
C07 N02 C07 6.4 12 2
C04 N02 C03 47.8 2 2
C03 N02 C03 22.5 . 2
C06 N02 C03 143.1 . 2
C07 N02 C03 97.9 . 2
C07 N02 C03 97.9 11_565 2
C07 N02 C03 81.2 12 2
C07 N02 C03 81.2 2 2
N02 C06 C04 39.6 . 2
N02 C06 H06A 113.0 . .
C04 C06 H06A 84.3 2 .
N02 C06 H06B 109.8 . .
C04 C06 H06B 149.4 2 .
H06A C06 H06B 117.3 . .
N02 C06 H06C 105.7 . .
C04 C06 H06C 88.8 2 .
H06A C06 H06C 105.6 . .
H06B C06 H06C 104.3 . .
C07 C07 C07 90.0 11_565 12
C07 C07 C07 71.6 11_565 2
C07 C07 C07 18.4 12 2
C07 C07 N02 85.9 11_565 .
C07 C07 N02 121.1 12 .
C07 C07 N02 117.8 2 .
C07 C07 N02 86.8 11_565 2
C07 C07 N02 42.2 12 2
C07 C07 N02 43.9 2 2
N02 C07 N02 78.9 . 2
C07 C07 H07A 99.1 11_565 .
C07 C07 H07A 130.9 12 .
C07 C07 H07A 132.2 2 .
N02 C07 H07A 107.7 . .
N02 C07 H07A 171.4 2 .
C07 C07 H07B 136.3 11_565 .
C07 C07 H07B 46.3 12 .
C07 C07 H07B 64.7 2 .
N02 C07 H07B 113.4 . .
N02 C07 H07B 61.3 2 .
H07A C07 H07B 110.4 . .
C07 C07 H07C 31.5 11_565 .
C07 C07 H07C 60.7 12 .
C07 C07 H07C 42.8 2 .
N02 C07 H07C 110.3 . .
N02 C07 H07C 73.3 2 .
H07A C07 H07C 108.7 . .
H07B C07 H07C 106.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ge1 O1 1.6178(8) .
Ge1 O1 1.6178(8) 10_566
Ge1 O3 1.622(2) .
Ge1 O2 1.636(2) .
O1 Si1 1.6178(8) 10_556
O1 Ge1 1.6178(8) 10_556
O2 Si2 1.7585(19) 13_666
O2 Ge2 1.7585(19) 13_666
O2 Si2 1.7585(19) 7_646
O2 Ge2 1.7585(19) 7_646
O3 Ge3 1.7098(19) .
O3 Si3 1.7098(19) 11_575
O3 Ge3 1.7098(19) 11_575
Ge2 O8 1.692(3) .
Ge2 O7 1.695(2) .
Ge2 O6 1.702(2) .
Ge2 O2 1.759(2) 13_666
Ge2 Si2 2.1418(12) 11_575
Ge2 Ge2 2.1418(12) 11_575
Ge2 O8 2.249(4) 11_575
Ge3 O8 1.660(3) .
Ge3 O5 1.6688(18) .
Ge3 O4 1.6773(19) .
Ge3 Si3 2.1400(14) 11_575
Ge3 Ge3 2.1400(14) 11_575
Ge3 O8 2.225(4) 11_575
O4 Si3 1.6773(19) 11_565
O4 Ge3 1.6773(19) 11_565
O5 Si3 1.6688(18) 12_655
O5 Ge3 1.6688(18) 12_655
O5 O5 1.762(11) 2_665
O6 Si2 1.702(2) 11_565
O6 Ge2 1.702(2) 11_565
O7 O7 1.475(11) 2_665
O7 Si2 1.695(2) 12_655
O7 Ge2 1.695(2) 12_655
O8 O8 1.024(8) 11_575
O8 Si3 2.225(4) 11_575
O8 Ge3 2.225(4) 11_575
O8 Ge2 2.249(4) 11_575
O8 Si2 2.249(4) 11_575
N01 C01 0.5520 2
N01 C02 1.2787 2
N01 C05 1.3199 .
N01 C01 1.3428 .
N01 N01 1.8829 2
N01 H00 1.1086 .
C01 N01 0.5520 2
C01 C01 0.7958 2
C01 C02 1.3672 .
C01 C05 1.5869 2
C01 C02 1.9028 2
C01 H01 1.0129 .
C02 C05 0.4916 2
C02 C04 1.1237 2
C02 N01 1.2787 2
C02 C03 1.3953 .
C02 C01 1.9028 2
C02 C03 1.9376 2
C02 H02 0.9469 .
C03 C04 0.5837 2
C03 C03 0.8212 2
C03 N02 1.3548 .
C03 C04 1.4004 .
C03 C05 1.7670 2
C03 N02 1.8895 2
C03 C02 1.9376 2
C04 C03 0.5837 2
C04 C02 1.1237 2
C04 N02 1.2879 2
C04 C05 1.3659 .
C04 C04 1.9731 2
C04 C06 2.0130 2
C04 H04 0.9639 .
C05 C02 0.4916 2
C05 C01 1.5869 2
C05 C03 1.7670 2
C05 H05 0.9950 .
N02 C04 1.2879 2
N02 C06 1.4326 .
N02 C07 1.4454 .
N02 C07 1.4454 11_565
N02 C07 1.8443 12
N02 C07 1.8443 2
N02 C03 1.8895 2
C06 C04 2.0130 2
C06 H06A 0.9914 .
C06 H06B 0.9779 .
C06 H06C 1.0234 .
C07 C07 0.2066 11_565
C07 C07 0.6213 12
C07 C07 0.6547 2
C07 N02 1.8443 2
C07 H07A 0.9810 .
C07 H07B 1.0117 .
C07 H07C 1.0015 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O1 Ge1 O1 Si1 110.03(13) 10_566 10_556
O3 Ge1 O1 Si1 -131.76(9) . 10_556
O2 Ge1 O1 Si1 -11.21(9) . 10_556
O1 Ge1 O1 Ge1 110.03(13) 10_566 10_556
O3 Ge1 O1 Ge1 -131.76(9) . 10_556
O2 Ge1 O1 Ge1 -11.21(9) . 10_556
O1 Ge1 O2 Si2 -174.29(13) . 13_666
O1 Ge1 O2 Si2 65.13(19) 10_566 13_666
O3 Ge1 O2 Si2 -54.58(16) . 13_666
O1 Ge1 O2 Ge2 -174.29(13) . 13_666
O1 Ge1 O2 Ge2 65.13(19) 10_566 13_666
O3 Ge1 O2 Ge2 -54.58(16) . 13_666
O1 Ge1 O2 Si2 -65.13(19) . 7_646
O1 Ge1 O2 Si2 174.29(13) 10_566 7_646
O3 Ge1 O2 Si2 54.58(16) . 7_646
O1 Ge1 O2 Ge2 -65.13(19) . 7_646
O1 Ge1 O2 Ge2 174.29(13) 10_566 7_646
O3 Ge1 O2 Ge2 54.58(16) . 7_646
O1 Ge1 O3 Ge3 17.4(3) . .
O1 Ge1 O3 Ge3 136.0(2) 10_566 .
O2 Ge1 O3 Ge3 -103.3(2) . .
O1 Ge1 O3 Si3 -136.0(2) . 11_575
O1 Ge1 O3 Si3 -17.4(3) 10_566 11_575
O2 Ge1 O3 Si3 103.3(2) . 11_575
O1 Ge1 O3 Ge3 -136.0(2) . 11_575
O1 Ge1 O3 Ge3 -17.4(3) 10_566 11_575
O2 Ge1 O3 Ge3 103.3(2) . 11_575
Ge1 O3 Ge3 O8 146.7(3) . .
Si3 O3 Ge3 O8 -50.53(16) 11_575 .
Ge3 O3 Ge3 O8 -50.53(16) 11_575 .
Ge1 O3 Ge3 O5 -94.2(3) . .
Si3 O3 Ge3 O5 68.6(2) 11_575 .
Ge3 O3 Ge3 O5 68.6(2) 11_575 .
Ge1 O3 Ge3 O4 25.6(3) . .
Si3 O3 Ge3 O4 -171.6(2) 11_575 .
Ge3 O3 Ge3 O4 -171.6(2) 11_575 .
Ge1 O3 Ge3 Si3 -162.8(3) . 11_575
Ge3 O3 Ge3 Si3 0.0 11_575 11_575
Ge1 O3 Ge3 Ge3 -162.8(3) . 11_575
Si3 O3 Ge3 Ge3 0.0 11_575 11_575
Ge1 O3 Ge3 O8 162.9(3) . 11_575
Si3 O3 Ge3 O8 -34.33(11) 11_575 11_575
Ge3 O3 Ge3 O8 -34.33(11) 11_575 11_575
O8 Ge3 O4 Si3 83.9(5) . 11_565
O5 Ge3 O4 Si3 -45.7(6) . 11_565
O3 Ge3 O4 Si3 -161.3(4) . 11_565
Si3 Ge3 O4 Si3 180.0 11_575 11_565
Ge3 Ge3 O4 Si3 180.0 11_575 11_565
O8 Ge3 O4 Si3 97.7(5) 11_575 11_565
O8 Ge3 O4 Ge3 83.9(5) . 11_565
O5 Ge3 O4 Ge3 -45.7(6) . 11_565
O3 Ge3 O4 Ge3 -161.3(4) . 11_565
Si3 Ge3 O4 Ge3 180.0 11_575 11_565
Ge3 Ge3 O4 Ge3 180.0 11_575 11_565
O8 Ge3 O4 Ge3 97.7(5) 11_575 11_565
O8 Ge3 O5 Si3 -43.5(6) . 12_655
O4 Ge3 O5 Si3 86.1(6) . 12_655
O3 Ge3 O5 Si3 -155.8(5) . 12_655
Si3 Ge3 O5 Si3 -108.8(5) 11_575 12_655
Ge3 Ge3 O5 Si3 -108.8(5) 11_575 12_655
O8 Ge3 O5 Si3 -68.9(6) 11_575 12_655
O8 Ge3 O5 Ge3 -43.5(6) . 12_655
O4 Ge3 O5 Ge3 86.1(6) . 12_655
O3 Ge3 O5 Ge3 -155.8(5) . 12_655
Si3 Ge3 O5 Ge3 -108.8(5) 11_575 12_655
Ge3 Ge3 O5 Ge3 -108.8(5) 11_575 12_655
O8 Ge3 O5 Ge3 -68.9(6) 11_575 12_655
O8 Ge3 O5 O5 65.30(16) . 2_665
O4 Ge3 O5 O5 -165.08(19) . 2_665
O3 Ge3 O5 O5 -46.98(9) . 2_665
Si3 Ge3 O5 O5 0.0 11_575 2_665
Ge3 Ge3 O5 O5 0.0 11_575 2_665
O8 Ge3 O5 O5 39.92(11) 11_575 2_665
O8 Ge2 O6 Si2 -83.3(5) . 11_565
O7 Ge2 O6 Si2 52.9(5) . 11_565
O2 Ge2 O6 Si2 163.7(4) 13_666 11_565
Si2 Ge2 O6 Si2 180.0 11_575 11_565
Ge2 Ge2 O6 Si2 180.0 11_575 11_565
O8 Ge2 O6 Si2 -98.2(4) 11_575 11_565
O8 Ge2 O6 Ge2 -83.3(5) . 11_565
O7 Ge2 O6 Ge2 52.9(5) . 11_565
O2 Ge2 O6 Ge2 163.7(4) 13_666 11_565
Si2 Ge2 O6 Ge2 180.0 11_575 11_565
Ge2 Ge2 O6 Ge2 180.0 11_575 11_565
O8 Ge2 O6 Ge2 -98.2(4) 11_575 11_565
O8 Ge2 O7 O7 -62.58(17) . 2_665
O6 Ge2 O7 O7 161.4(2) . 2_665
O2 Ge2 O7 O7 47.88(9) 13_666 2_665
Si2 Ge2 O7 O7 0.000(1) 11_575 2_665
Ge2 Ge2 O7 O7 0.000(1) 11_575 2_665
O8 Ge2 O7 O7 -38.61(11) 11_575 2_665
O8 Ge2 O7 Si2 54.5(5) . 12_655
O6 Ge2 O7 Si2 -81.5(5) . 12_655
O2 Ge2 O7 Si2 165.0(4) 13_666 12_655
Si2 Ge2 O7 Si2 117.1(4) 11_575 12_655
Ge2 Ge2 O7 Si2 117.1(4) 11_575 12_655
O8 Ge2 O7 Si2 78.5(4) 11_575 12_655
O8 Ge2 O7 Ge2 54.5(5) . 12_655
O6 Ge2 O7 Ge2 -81.5(5) . 12_655
O2 Ge2 O7 Ge2 165.0(4) 13_666 12_655
Si2 Ge2 O7 Ge2 117.1(4) 11_575 12_655
Ge2 Ge2 O7 Ge2 117.1(4) 11_575 12_655
O8 Ge2 O7 Ge2 78.5(4) 11_575 12_655
O5 Ge3 O8 O8 -73.4(2) . 11_575
O4 Ge3 O8 O8 157.85(19) . 11_575
O3 Ge3 O8 O8 39.74(10) . 11_575
Si3 Ge3 O8 O8 0.000(3) 11_575 11_575
Ge3 Ge3 O8 O8 0.000(3) 11_575 11_575
O5 Ge3 O8 Ge2 79.5(4) . .
O4 Ge3 O8 Ge2 -49.3(4) . .
O3 Ge3 O8 Ge2 -167.4(3) . .
Si3 Ge3 O8 Ge2 152.9(3) 11_575 .
Ge3 Ge3 O8 Ge2 152.9(3) 11_575 .
O8 Ge3 O8 Ge2 152.9(3) 11_575 .
O5 Ge3 O8 Si3 -73.4(2) . 11_575
O4 Ge3 O8 Si3 157.85(19) . 11_575
O3 Ge3 O8 Si3 39.74(10) . 11_575
Ge3 Ge3 O8 Si3 0.000(1) 11_575 11_575
O8 Ge3 O8 Si3 0.000(4) 11_575 11_575
O5 Ge3 O8 Ge3 -73.4(2) . 11_575
O4 Ge3 O8 Ge3 157.85(19) . 11_575
O3 Ge3 O8 Ge3 39.74(10) . 11_575
Si3 Ge3 O8 Ge3 0.000(1) 11_575 11_575
O8 Ge3 O8 Ge3 0.000(4) 11_575 11_575
O5 Ge3 O8 Ge2 -45.2(5) . 11_575
O4 Ge3 O8 Ge2 -173.9(4) . 11_575
O3 Ge3 O8 Ge2 68.0(4) . 11_575
Si3 Ge3 O8 Ge2 28.2(4) 11_575 11_575
Ge3 Ge3 O8 Ge2 28.2(4) 11_575 11_575
O8 Ge3 O8 Ge2 28.2(4) 11_575 11_575
O5 Ge3 O8 Si2 -45.2(5) . 11_575
O4 Ge3 O8 Si2 -173.9(4) . 11_575
O3 Ge3 O8 Si2 68.0(4) . 11_575
Si3 Ge3 O8 Si2 28.2(4) 11_575 11_575
Ge3 Ge3 O8 Si2 28.2(4) 11_575 11_575
O8 Ge3 O8 Si2 28.2(4) 11_575 11_575
O7 Ge2 O8 O8 67.2(2) . 11_575
O6 Ge2 O8 O8 -155.63(18) . 11_575
O2 Ge2 O8 O8 -41.53(9) 13_666 11_575
Si2 Ge2 O8 O8 0.000(3) 11_575 11_575
Ge2 Ge2 O8 O8 0.000(3) 11_575 11_575
O7 Ge2 O8 Ge3 -85.7(4) . .
O6 Ge2 O8 Ge3 51.4(4) . .
O2 Ge2 O8 Ge3 165.5(3) 13_666 .
Si2 Ge2 O8 Ge3 -153.0(3) 11_575 .
Ge2 Ge2 O8 Ge3 -153.0(3) 11_575 .
O8 Ge2 O8 Ge3 -153.0(3) 11_575 .
O7 Ge2 O8 Si3 40.0(5) . 11_575
O6 Ge2 O8 Si3 177.2(4) . 11_575
O2 Ge2 O8 Si3 -68.7(4) 13_666 11_575
Si2 Ge2 O8 Si3 -27.2(3) 11_575 11_575
Ge2 Ge2 O8 Si3 -27.2(3) 11_575 11_575
O8 Ge2 O8 Si3 -27.2(3) 11_575 11_575
O7 Ge2 O8 Ge3 40.0(5) . 11_575
O6 Ge2 O8 Ge3 177.2(4) . 11_575
O2 Ge2 O8 Ge3 -68.7(4) 13_666 11_575
Si2 Ge2 O8 Ge3 -27.2(3) 11_575 11_575
Ge2 Ge2 O8 Ge3 -27.2(3) 11_575 11_575
O8 Ge2 O8 Ge3 -27.2(3) 11_575 11_575
O7 Ge2 O8 Ge2 67.2(2) . 11_575
O6 Ge2 O8 Ge2 -155.63(18) . 11_575
O2 Ge2 O8 Ge2 -41.53(9) 13_666 11_575
Si2 Ge2 O8 Ge2 0.000(2) 11_575 11_575
O8 Ge2 O8 Ge2 0.000(4) 11_575 11_575
O7 Ge2 O8 Si2 67.2(2) . 11_575
O6 Ge2 O8 Si2 -155.63(18) . 11_575
O2 Ge2 O8 Si2 -41.53(9) 13_666 11_575
Ge2 Ge2 O8 Si2 0.000(2) 11_575 11_575
O8 Ge2 O8 Si2 0.000(4) 11_575 11_575
C01 N01 C01 N01 180.0 2 2
C02 N01 C01 N01 180.0 2 2
C05 N01 C01 N01 180.0 . 2
C02 N01 C01 C01 0.0 2 2
C05 N01 C01 C01 0.0 . 2
N01 N01 C01 C01 180.0 2 2
C01 N01 C01 C02 0.0 2 .
C02 N01 C01 C02 0.0 2 .
C05 N01 C01 C02 0.0 . .
N01 N01 C01 C02 180.0 2 .
C01 N01 C01 C05 0.0 2 2
C02 N01 C01 C05 0.0 2 2
C05 N01 C01 C05 0.0 . 2
N01 N01 C01 C05 180.0 2 2
C01 N01 C01 C02 0.0 2 2
C05 N01 C01 C02 0.0 . 2
N01 N01 C01 C02 180.0 2 2
N01 C01 C02 C05 0.0 2 2
C01 C01 C02 C05 180.0 2 2
N01 C01 C02 C05 180.0 . 2
C02 C01 C02 C05 180.0 2 2
N01 C01 C02 C04 180.0 2 2
C01 C01 C02 C04 0.0 2 2
N01 C01 C02 C04 0.0 . 2
C05 C01 C02 C04 180.0 2 2
C02 C01 C02 C04 0.0 2 2
C01 C01 C02 N01 180.0 2 2
N01 C01 C02 N01 180.0 . 2
C05 C01 C02 N01 0.0 2 2
C02 C01 C02 N01 180.0 2 2
N01 C01 C02 C03 180.0 2 .
C01 C01 C02 C03 0.0 2 .
N01 C01 C02 C03 0.0 . .
C05 C01 C02 C03 180.0 2 .
C02 C01 C02 C03 0.0 2 .
N01 C01 C02 C01 180.0 2 2
N01 C01 C02 C01 0.0 . 2
C05 C01 C02 C01 180.0 2 2
C02 C01 C02 C01 0.0 2 2
N01 C01 C02 C03 180.0 2 2
C01 C01 C02 C03 0.0 2 2
N01 C01 C02 C03 0.0 . 2
C05 C01 C02 C03 180.0 2 2
C02 C01 C02 C03 0.0 2 2
C05 C02 C03 C04 0.0 2 2
N01 C02 C03 C04 180.0 2 2
C01 C02 C03 C04 180.0 . 2
C01 C02 C03 C04 180.0 2 2
C03 C02 C03 C04 180.0 2 2
C05 C02 C03 C03 180.0 2 2
C04 C02 C03 C03 180.0 2 2
N01 C02 C03 C03 0.0 2 2
C01 C02 C03 C03 0.0 . 2
C01 C02 C03 C03 0.0 2 2
C05 C02 C03 N02 0.0 2 .
C04 C02 C03 N02 0.0 2 .
N01 C02 C03 N02 180.0 2 .
C01 C02 C03 N02 180.0 . .
C01 C02 C03 N02 180.0 2 .
C03 C02 C03 N02 180.0 2 .
C05 C02 C03 C04 180.0 2 .
C04 C02 C03 C04 180.0 2 .
N01 C02 C03 C04 0.0 2 .
C01 C02 C03 C04 0.0 . .
C01 C02 C03 C04 0.0 2 .
C03 C02 C03 C04 0.0 2 .
C04 C02 C03 C05 0.0 2 2
N01 C02 C03 C05 180.0 2 2
C01 C02 C03 C05 180.0 . 2
C01 C02 C03 C05 180.0 2 2
C03 C02 C03 C05 180.0 2 2
C05 C02 C03 N02 180.0 2 2
C04 C02 C03 N02 180.0 2 2
N01 C02 C03 N02 0.0 2 2
C01 C02 C03 N02 0.0 . 2
C01 C02 C03 N02 0.0 2 2
C03 C02 C03 N02 0.0 2 2
C05 C02 C03 C02 180.0 2 2
C04 C02 C03 C02 180.0 2 2
N01 C02 C03 C02 0.0 2 2
C01 C02 C03 C02 0.0 . 2
C01 C02 C03 C02 0.0 2 2
C03 C02 C03 C02 0.0 2 2
C04 C03 C04 C03 180.0 2 2
N02 C03 C04 C03 0.0 . 2
C02 C03 C04 C03 180.0 . 2
C05 C03 C04 C03 180.0 2 2
N02 C03 C04 C03 0.0 2 2
C02 C03 C04 C03 180.0 2 2
C04 C03 C04 C02 0.0 2 2
C03 C03 C04 C02 180.0 2 2
N02 C03 C04 C02 180.0 . 2
C02 C03 C04 C02 0.0 . 2
C05 C03 C04 C02 0.0 2 2
N02 C03 C04 C02 180.0 2 2
C04 C03 C04 N02 180.0 2 2
C03 C03 C04 N02 0.0 2 2
N02 C03 C04 N02 0.0 . 2
C02 C03 C04 N02 180.0 . 2
C05 C03 C04 N02 180.0 2 2
C02 C03 C04 N02 180.0 2 2
C04 C03 C04 C05 0.0 2 .
C03 C03 C04 C05 180.0 2 .
N02 C03 C04 C05 180.0 . .
C02 C03 C04 C05 0.0 . .
C05 C03 C04 C05 0.0 2 .
N02 C03 C04 C05 180.0 2 .
C02 C03 C04 C05 0.0 2 .
C03 C03 C04 C04 180.0 2 2
N02 C03 C04 C04 180.0 . 2
C02 C03 C04 C04 0.0 . 2
C05 C03 C04 C04 0.0 2 2
N02 C03 C04 C04 180.0 2 2
C02 C03 C04 C04 0.0 2 2
C04 C03 C04 C06 180.0 2 2
C03 C03 C04 C06 0.0 2 2
N02 C03 C04 C06 0.0 . 2
C02 C03 C04 C06 180.0 . 2
C05 C03 C04 C06 180.0 2 2
N02 C03 C04 C06 0.0 2 2
C02 C03 C04 C06 180.0 2 2
C01 N01 C05 C02 0.0 2 2
C01 N01 C05 C02 0.0 . 2
N01 N01 C05 C02 0.0 2 2
C01 N01 C05 C04 0.0 2 .
C02 N01 C05 C04 0.0 2 .
C01 N01 C05 C04 0.0 . .
N01 N01 C05 C04 0.0 2 .
C02 N01 C05 C01 0.0 2 2
C01 N01 C05 C01 0.0 . 2
N01 N01 C05 C01 0.0 2 2
C01 N01 C05 C03 0.0 2 2
C02 N01 C05 C03 0.0 2 2
C01 N01 C05 C03 0.0 . 2
N01 N01 C05 C03 0.0 2 2
C03 C04 C05 C02 0.0 2 2
N02 C04 C05 C02 180.0 2 2
C03 C04 C05 C02 0.0 . 2
C04 C04 C05 C02 0.0 2 2
C06 C04 C05 C02 180.0 2 2
C03 C04 C05 N01 0.0 2 .
C02 C04 C05 N01 0.0 2 .
N02 C04 C05 N01 180.0 2 .
C03 C04 C05 N01 0.0 . .
C04 C04 C05 N01 0.0 2 .
C06 C04 C05 N01 180.0 2 .
C03 C04 C05 C01 0.0 2 2
C02 C04 C05 C01 0.0 2 2
N02 C04 C05 C01 180.0 2 2
C03 C04 C05 C01 0.0 . 2
C04 C04 C05 C01 0.0 2 2
C06 C04 C05 C01 180.0 2 2
C02 C04 C05 C03 0.0 2 2
N02 C04 C05 C03 180.0 2 2
C03 C04 C05 C03 0.0 . 2
C04 C04 C05 C03 0.0 2 2
C06 C04 C05 C03 180.0 2 2
C03 C03 N02 C04 180.0 2 2
C02 C03 N02 C04 0.0 . 2
C04 C03 N02 C04 180.0 . 2
C05 C03 N02 C04 0.0 2 2
N02 C03 N02 C04 180.0 2 2
C02 C03 N02 C04 180.0 2 2
C04 C03 N02 C06 0.0 2 .
C03 C03 N02 C06 180.0 2 .
C02 C03 N02 C06 0.0 . .
C04 C03 N02 C06 180.0 . .
C05 C03 N02 C06 0.0 2 .
N02 C03 N02 C06 180.0 2 .
C02 C03 N02 C06 180.0 2 .
C04 C03 N02 C07 175.3 2 .
C03 C03 N02 C07 -4.7 2 .
C02 C03 N02 C07 175.3 . .
C04 C03 N02 C07 -4.7 . .
C05 C03 N02 C07 175.3 2 .
N02 C03 N02 C07 -4.7 2 .
C02 C03 N02 C07 -4.7 2 .
C04 C03 N02 C07 -175.3 2 11_565
C03 C03 N02 C07 4.7 2 11_565
C02 C03 N02 C07 -175.3 . 11_565
C04 C03 N02 C07 4.7 . 11_565
C05 C03 N02 C07 -175.3 2 11_565
N02 C03 N02 C07 4.7 2 11_565
C02 C03 N02 C07 4.7 2 11_565
C04 C03 N02 C07 176.7 2 12
C03 C03 N02 C07 -3.3 2 12
C02 C03 N02 C07 176.7 . 12
C04 C03 N02 C07 -3.3 . 12
C05 C03 N02 C07 176.7 2 12
N02 C03 N02 C07 -3.3 2 12
C02 C03 N02 C07 -3.3 2 12
C04 C03 N02 C07 -176.7 2 2
C03 C03 N02 C07 3.3 2 2
C02 C03 N02 C07 -176.7 . 2
C04 C03 N02 C07 3.3 . 2
C05 C03 N02 C07 -176.7 2 2
N02 C03 N02 C07 3.3 2 2
C02 C03 N02 C07 3.3 2 2
C04 C03 N02 C03 180.0 2 2
C02 C03 N02 C03 180.0 . 2
C04 C03 N02 C03 0.0 . 2
C05 C03 N02 C03 180.0 2 2
N02 C03 N02 C03 0.0 2 2
C02 C03 N02 C03 0.0 2 2
C03 N02 C06 C04 0.0 . 2
C07 N02 C06 C04 -175.3 . 2
C07 N02 C06 C04 175.3 11_565 2
C07 N02 C06 C04 -175.4 12 2
C07 N02 C06 C04 175.4 2 2
C03 N02 C06 C04 0.0 2 2
C04 N02 C07 C07 96.0 2 11_565
C03 N02 C07 C07 92.4 . 11_565
C06 N02 C07 C07 -92.3 . 11_565
C07 N02 C07 C07 87.5 12 11_565
C07 N02 C07 C07 66.7 2 11_565
C03 N02 C07 C07 90.6 2 11_565
C04 N02 C07 C07 8.5 2 12
C03 N02 C07 C07 4.9 . 12
C06 N02 C07 C07 -179.8 . 12
C07 N02 C07 C07 -87.5 11_565 12
C07 N02 C07 C07 -20.8 2 12
C03 N02 C07 C07 3.0 2 12
C04 N02 C07 C07 29.3 2 2
C03 N02 C07 C07 25.7 . 2
C06 N02 C07 C07 -159.0 . 2
C07 N02 C07 C07 -66.7 11_565 2
C07 N02 C07 C07 20.8 12 2
C03 N02 C07 C07 23.9 2 2
C04 N02 C07 N02 8.5 2 2
C03 N02 C07 N02 4.9 . 2
C06 N02 C07 N02 -179.8 . 2
C07 N02 C07 N02 -87.5 11_565 2
C07 N02 C07 N02 0.0 12 2
C07 N02 C07 N02 -20.8 2 2
C03 N02 C07 N02 3.0 2 2

_cod_database_fobs_code 2108393
