#------------------------------------------------------------------------------
#$Date: 2019-12-14 01:36:33 +0200 (Sat, 14 Dec 2019) $
#$Revision: 245092 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/00/34/4003442.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_4003442
loop_
_publ_author_name
'He, Lei'
'Zhou, Lin'
'Shi, Ping-Ping'
'Ye, Qiong'
'Fu, Da-Wei'
_publ_section_title
;
 One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by
 Halogen Substitution
;
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/acs.chemmater.9b04232
_journal_year                    2019
_chemical_formula_sum            'C10 H17 Cd F N4 S3'
_chemical_formula_weight         420.87
_space_group_IT_number           194
_space_group_name_Hall           '-P 6c 2c'
_space_group_name_H-M_alt        'P 63/m m c'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_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                120.00
_cell_formula_units_Z            2
_cell_length_a                   9.5649(10)
_cell_length_b                   9.5649(10)
_cell_length_c                   10.7489(9)
_cell_measurement_reflns_used    211
_cell_measurement_temperature    308(2)
_cell_measurement_theta_max      30.67
_cell_measurement_theta_min      2.46
_cell_volume                     851.64(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      308(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω 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  0.0308
_diffrn_reflns_av_sigmaI/netI    0.0200
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            3715
_diffrn_reflns_theta_full        30.67
_diffrn_reflns_theta_max         30.67
_diffrn_reflns_theta_min         2.46
_exptl_absorpt_coefficient_mu    1.649
_exptl_absorpt_correction_T_max  0.726
_exptl_absorpt_correction_T_min  0.719
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.574
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       columnar
_exptl_crystal_F_000             386
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.983
_refine_diff_density_min         -1.405
_refine_diff_density_rms         0.217
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.183
_refine_ls_matrix_type           full
_refine_ls_number_parameters     77
_refine_ls_number_reflns         482
_refine_ls_number_restraints     226
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.2098
_refine_ls_R_factor_gt           0.1730
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0100P)²+50.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3526
_refine_ls_wR_factor_ref         0.3558
_reflns_number_gt                211
_reflns_number_total             482
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cm9b04232_si_005.cif
_cod_data_source_block           F_308K
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_cell_volume        851.6(2)
_cod_database_code               4003442
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-y, -x, -z+1/2'
'-x+y, y, -z+1/2'
'x, x-y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'y, x, z-1/2'
'x-y, -y, z-1/2'
'-x, -x+y, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cd1 Cd 1.0000 1.0000 0.0000 0.1822(15) Uani 1 12 d SDU
S1 S 0.8500(3) 0.7001(6) 0.1293(4) 0.186(3) Uani 0.50 2 d SPDU
C1 C 0.8870(8) 0.7740(16) 0.2500 0.224(2) Uani 1 4 d SDU
N1 N 0.9044(5) 0.8088(9) 0.1338(8) 0.198(6) Uani 0.50 2 d SPDU
C3 C 0.6667 0.3333 0.1050(9) 0.264(6) Uani 0.50 6 d SPDU
C2 C 0.7186(7) 0.2814(7) -0.0120(17) 0.239(2) Uani 0.07 2 d SPDU
N2 N 0.6667 0.3333 0.2500 0.285(2) Uani 1 12 d SDU
C2A C 0.7186(8) 0.4373(15) -0.0120(17) 0.241(4) Uani 0.07 2 d SPDU
C2B C 0.5627(15) 0.2814(8) -0.0120(17) 0.237(4) Uani 0.07 2 d SPDU
C3A C 0.6667 0.3333 0.3950(9) 0.262(4) Uani 0.50 6 d SPDU
C2C C 0.7186(7) 0.2814(7) 0.5119(17) 0.241(4) Uani 0.07 2 d SPDU
C2D C 0.7186(8) 0.4373(15) 0.5119(17) 0.243(5) Uani 0.07 2 d SPDU
C2E C 0.5627(15) 0.2814(8) 0.5119(17) 0.241(5) Uani 0.07 2 d SPDU
C4 C 0.851(2) 0.4254(10) 0.2500 0.329(9) Uani 0.33 4 d SPDU
C5 C 0.5746(10) 0.4254(10) 0.2500 0.324(7) Uani 0.33 4 d SPDU
C6 C 0.5753(10) 0.151(2) 0.2500 0.313(9) Uani 0.16 4 d SPDU
F1 F 0.6667 0.3333 0.6138(19) 0.224(2) Uani 0.25 6 d SPDU
F1A F 0.6667 0.3333 -0.1139(19) 0.224(2) Uani 0.25 6 d SPDU
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 '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
N1 Cd1 N1 79.8(4) 2_765 3_675
N1 Cd1 N1 179.998(1) 2_765 14_565
N1 Cd1 N1 100.2(4) 3_675 14_565
N1 Cd1 N1 79.8(4) 2_765 .
N1 Cd1 N1 79.8(4) 3_675 .
N1 Cd1 N1 100.2(4) 14_565 .
N1 Cd1 N1 100.2(4) 2_765 13_775
N1 Cd1 N1 100.2(4) 3_675 13_775
N1 Cd1 N1 79.8(4) 14_565 13_775
N1 Cd1 N1 179.999(1) . 13_775
N1 Cd1 N1 100.2(4) 2_765 15_655
N1 Cd1 N1 179.999(1) 3_675 15_655
N1 Cd1 N1 79.8(4) 14_565 15_655
N1 Cd1 N1 100.2(4) . 15_655
N1 Cd1 N1 79.8(4) 13_775 15_655
N1 Cd1 S1 13.0(3) 2_765 2_765
N1 Cd1 S1 89.71(18) 3_675 2_765
N1 Cd1 S1 167.0(3) 14_565 2_765
N1 Cd1 S1 89.71(18) . 2_765
N1 Cd1 S1 90.29(18) 13_775 2_765
N1 Cd1 S1 90.29(18) 15_655 2_765
N1 Cd1 S1 89.71(18) 2_765 3_675
N1 Cd1 S1 13.0(3) 3_675 3_675
N1 Cd1 S1 90.29(18) 14_565 3_675
N1 Cd1 S1 89.71(18) . 3_675
N1 Cd1 S1 90.29(18) 13_775 3_675
N1 Cd1 S1 167.0(3) 15_655 3_675
S1 Cd1 S1 98.20(12) 2_765 3_675
N1 Cd1 S1 89.71(18) 2_765 .
N1 Cd1 S1 89.71(18) 3_675 .
N1 Cd1 S1 90.29(18) 14_565 .
N1 Cd1 S1 13.0(3) . .
N1 Cd1 S1 167.0(3) 13_775 .
N1 Cd1 S1 90.29(18) 15_655 .
S1 Cd1 S1 98.20(12) 2_765 .
S1 Cd1 S1 98.20(12) 3_675 .
N1 Cd1 S1 90.29(18) 2_765 15_655
N1 Cd1 S1 167.0(3) 3_675 15_655
N1 Cd1 S1 89.71(18) 14_565 15_655
N1 Cd1 S1 90.29(18) . 15_655
N1 Cd1 S1 89.71(18) 13_775 15_655
N1 Cd1 S1 13.0(3) 15_655 15_655
S1 Cd1 S1 81.80(12) 2_765 15_655
S1 Cd1 S1 180.0 3_675 15_655
S1 Cd1 S1 81.80(12) . 15_655
N1 Cd1 S1 167.0(3) 2_765 14_565
N1 Cd1 S1 90.29(18) 3_675 14_565
N1 Cd1 S1 13.0(3) 14_565 14_565
N1 Cd1 S1 90.29(18) . 14_565
N1 Cd1 S1 89.71(18) 13_775 14_565
N1 Cd1 S1 89.71(18) 15_655 14_565
S1 Cd1 S1 179.999(1) 2_765 14_565
S1 Cd1 S1 81.80(12) 3_675 14_565
S1 Cd1 S1 81.80(12) . 14_565
S1 Cd1 S1 98.20(12) 15_655 14_565
N1 Cd1 S1 90.29(18) 2_765 13_775
N1 Cd1 S1 90.29(18) 3_675 13_775
N1 Cd1 S1 89.71(18) 14_565 13_775
N1 Cd1 S1 167.0(3) . 13_775
N1 Cd1 S1 13.0(3) 13_775 13_775
N1 Cd1 S1 89.71(18) 15_655 13_775
S1 Cd1 S1 81.80(12) 2_765 13_775
S1 Cd1 S1 81.80(12) 3_675 13_775
S1 Cd1 S1 180.0 . 13_775
S1 Cd1 S1 98.20(12) 15_655 13_775
S1 Cd1 S1 98.20(12) 14_565 13_775
N1 S1 C1 61.7(7) . .
N1 S1 Cd1 32.3(6) . .
C1 S1 Cd1 94.0(5) . .
N1 C1 N1 154.0(14) 16_556 .
N1 C1 S1 38.3(4) 16_556 16_556
N1 C1 S1 167.8(12) . 16_556
N1 C1 S1 167.8(12) 16_556 .
N1 C1 S1 38.2(4) . .
S1 C1 S1 129.5(10) 16_556 .
S1 N1 C1 80.1(8) . .
S1 N1 Cd1 134.7(9) . .
C1 N1 Cd1 145.2(9) . .
C3A C3 C2E 145(10) 16_556 17_656
C3A C3 C2E 144(10) 16_556 16_556
C2E C3 C2E 58.6(10) 17_656 16_556
C3A C3 C2E 148(10) 16_556 18_666
C2E C3 C2E 58.6(10) 17_656 18_666
C2E C3 C2E 58.6(10) 16_556 18_666
C3A C3 C2D 145(10) 16_556 18_666
C2E C3 C2D 0.0(9) 17_656 18_666
C2E C3 C2D 58.6(7) 16_556 18_666
C2E C3 C2D 58.6(7) 18_666 18_666
C3A C3 C2D 144(10) 16_556 17_656
C2E C3 C2D 58.6(7) 17_656 17_656
C2E C3 C2D 0.0(13) 16_556 17_656
C2E C3 C2D 58.6(7) 18_666 17_656
C2D C3 C2D 58.6(10) 18_666 17_656
C3A C3 C2D 148(10) 16_556 16_556
C2E C3 C2D 58.6(7) 17_656 16_556
C2E C3 C2D 58.6(7) 16_556 16_556
C2E C3 C2D 0.0(13) 18_666 16_556
C2D C3 C2D 58.6(10) 18_666 16_556
C2D C3 C2D 58.6(10) 17_656 16_556
C3A C3 C2C 144(10) 16_556 18_666
C2E C3 C2C 58.6(7) 17_656 18_666
C2E C3 C2C 0.0(6) 16_556 18_666
C2E C3 C2C 58.6(7) 18_666 18_666
C2D C3 C2C 58.6(7) 18_666 18_666
C2D C3 C2C 0.0(12) 17_656 18_666
C2D C3 C2C 58.6(7) 16_556 18_666
C3A C3 C2C 148(10) 16_556 17_656
C2E C3 C2C 58.6(7) 17_656 17_656
C2E C3 C2C 58.6(7) 16_556 17_656
C2E C3 C2C 0.0(12) 18_666 17_656
C2D C3 C2C 58.6(7) 18_666 17_656
C2D C3 C2C 58.6(7) 17_656 17_656
C2D C3 C2C 0.0(12) 16_556 17_656
C2C C3 C2C 58.6(10) 18_666 17_656
C3A C3 C2C 145(10) 16_556 16_556
C2E C3 C2C 0.0(9) 17_656 16_556
C2E C3 C2C 58.6(7) 16_556 16_556
C2E C3 C2C 58.6(7) 18_666 16_556
C2D C3 C2C 0.0(9) 18_666 16_556
C2D C3 C2C 58.6(7) 17_656 16_556
C2D C3 C2C 58.6(7) 16_556 16_556
C2C C3 C2C 58.6(10) 18_666 16_556
C2C C3 C2C 58.6(10) 17_656 16_556
C3A C3 C2B 145(10) 16_556 2_655
C2E C3 C2B 0.0(9) 17_656 2_655
C2E C3 C2B 58.6(7) 16_556 2_655
C2E C3 C2B 58.6(7) 18_666 2_655
C2D C3 C2B 0.0(9) 18_666 2_655
C2D C3 C2B 58.6(7) 17_656 2_655
C2D C3 C2B 58.6(7) 16_556 2_655
C2C C3 C2B 58.6(7) 18_666 2_655
C2C C3 C2B 58.6(7) 17_656 2_655
C2C C3 C2B 0.0(9) 16_556 2_655
C3A C3 C2B 148(10) 16_556 3_665
C2E C3 C2B 58.6(7) 17_656 3_665
C2E C3 C2B 58.6(7) 16_556 3_665
C2E C3 C2B 0.0(11) 18_666 3_665
C2D C3 C2B 58.6(7) 18_666 3_665
C2D C3 C2B 58.6(7) 17_656 3_665
C2D C3 C2B 0.0(7) 16_556 3_665
C2C C3 C2B 58.6(7) 18_666 3_665
C2C C3 C2B 0.0(11) 17_656 3_665
C2C C3 C2B 58.6(7) 16_556 3_665
C2B C3 C2B 58.6(10) 2_655 3_665
C6 N2 C6 120.000(1) . 2_655
C6 N2 C6 120.000(1) . 3_665
C6 N2 C6 119.999(1) 2_655 3_665
C6 N2 C5 120.000(1) . 3_665
C6 N2 C5 0.000(1) 2_655 3_665
C6 N2 C5 119.999(2) 3_665 3_665
C6 N2 C5 120.000(1) . .
C6 N2 C5 120.000(1) 2_655 .
C6 N2 C5 0.001(1) 3_665 .
C5 N2 C5 120.000(1) 3_665 .
C6 N2 C5 0.002(2) . 2_655
C6 N2 C5 119.999(1) 2_655 2_655
C6 N2 C5 120.002(2) 3_665 2_655
C5 N2 C5 120.0 3_665 2_655
C5 N2 C5 120.001(1) . 2_655
C3A N2 C3A 179.999(1) 16_556 .
C6 N2 C4 120.000(1) . .
C6 N2 C4 0.001(3) 2_655 .
C6 N2 C4 120.000(2) 3_665 .
C5 N2 C4 0.001(3) 3_665 .
C5 N2 C4 120.000(2) . .
C5 N2 C4 120.0 2_655 .
C6 N2 C4 0.0(7) . 3_665
C6 N2 C4 120.000(1) 2_655 3_665
C6 N2 C4 120.001(2) 3_665 3_665
C5 N2 C4 120.0 3_665 3_665
C5 N2 C4 120.000(2) . 3_665
C5 N2 C4 0.0 2_655 3_665
C3A N2 C4 90.000(2) 16_556 3_665
C3A N2 C4 89.999(2) . 3_665
C4 N2 C4 120.0 . 3_665
C6 N2 C4 120.000(1) . 2_655
C6 N2 C4 120.000(1) 2_655 2_655
C6 N2 C4 0.000(1) 3_665 2_655
C5 N2 C4 120.000(1) 3_665 2_655
C5 N2 C4 0.001(1) . 2_655
C5 N2 C4 120.0 2_655 2_655
C3A N2 C4 90.0 16_556 2_655
C3A N2 C4 90.0 . 2_655
C4 N2 C4 120.000(1) . 2_655
C4 N2 C4 120.0 3_665 2_655
C3 C3A C2E 34(10) 16_556 2_655
C3 C3A C2E 36(10) 16_556 3_665
C2E C3A C2E 58.6(10) 2_655 3_665
C3 C3A C2D 34(10) 16_556 3_665
C2E C3A C2D 0.0(9) 2_655 3_665
C2E C3A C2D 58.6(7) 3_665 3_665
C3 C3A C2E 33(10) 16_556 .
C2E C3A C2E 58.6(10) 2_655 .
C2E C3A C2E 58.6(10) 3_665 .
C2D C3A C2E 58.6(7) 3_665 .
C3 C3A C2D 33(10) 16_556 2_655
C2E C3A C2D 58.6(7) 2_655 2_655
C2E C3A C2D 58.6(7) 3_665 2_655
C2D C3A C2D 58.6(10) 3_665 2_655
C2E C3A C2D 0.0(13) . 2_655
C3 C3A C2D 36(10) 16_556 .
C2E C3A C2D 58.6(7) 2_655 .
C2E C3A C2D 0.0(13) 3_665 .
C2D C3A C2D 58.6(10) 3_665 .
C2E C3A C2D 58.6(7) . .
C2D C3A C2D 58.6(10) 2_655 .
C3 C3A C2C 34(10) 16_556 .
C2E C3A C2C 0.0(9) 2_655 .
C2E C3A C2C 58.6(7) 3_665 .
C2D C3A C2C 0.0(9) 3_665 .
C2E C3A C2C 58.6(7) . .
C2D C3A C2C 58.6(7) 2_655 .
C2D C3A C2C 58.6(7) . .
C3 C3A C2C 33(10) 16_556 3_665
C2E C3A C2C 58.6(7) 2_655 3_665
C2E C3A C2C 58.6(7) 3_665 3_665
C2D C3A C2C 58.6(7) 3_665 3_665
C2E C3A C2C 0.0(13) . 3_665
C2D C3A C2C 0.0(12) 2_655 3_665
C2D C3A C2C 58.6(7) . 3_665
C2C C3A C2C 58.6(10) . 3_665
C3 C3A C2C 36(10) 16_556 2_655
C2E C3A C2C 58.6(7) 2_655 2_655
C2E C3A C2C 0.0(10) 3_665 2_655
C2D C3A C2C 58.6(7) 3_665 2_655
C2E C3A C2C 58.6(7) . 2_655
C2D C3A C2C 58.6(7) 2_655 2_655
C2D C3A C2C 0.0(12) . 2_655
C2C C3A C2C 58.6(10) . 2_655
C2C C3A C2C 58.6(10) 3_665 2_655
C3 C3A C2B 34(10) 16_556 17_656
C2E C3A C2B 0.0(9) 2_655 17_656
C2E C3A C2B 58.6(7) 3_665 17_656
C2D C3A C2B 0.0(9) 3_665 17_656
C2E C3A C2B 58.6(7) . 17_656
C2D C3A C2B 58.6(7) 2_655 17_656
C2D C3A C2B 58.6(7) . 17_656
C2C C3A C2B 0.0(9) . 17_656
C2C C3A C2B 58.6(7) 3_665 17_656
C2C C3A C2B 58.6(7) 2_655 17_656
C3 C3A C2B 33(10) 16_556 16_556
C2E C3A C2B 58.6(7) 2_655 16_556
C2E C3A C2B 58.6(7) 3_665 16_556
C2D C3A C2B 58.6(7) 3_665 16_556
C2E C3A C2B 0.0(11) . 16_556
C2D C3A C2B 0.0(11) 2_655 16_556
C2D C3A C2B 58.6(7) . 16_556
C2C C3A C2B 58.6(7) . 16_556
C2C C3A C2B 0.0(11) 3_665 16_556
C2C C3A C2B 58.6(7) 2_655 16_556
C2B C3A C2B 58.6(10) 17_656 16_556
F1A F1 C2 141(10) 16_556 16_556
F1A F1 C2 141(10) 16_556 18_666
C2 F1 C2 64.8(13) 16_556 18_666
F1A F1 C2 143(10) 16_556 17_656
C2 F1 C2 64.8(13) 16_556 17_656
C2 F1 C2 64.8(13) 18_666 17_656
F1A F1 C2A 141(10) 16_556 18_666
C2 F1 C2A 0.0(9) 16_556 18_666
C2 F1 C2A 64.8(11) 18_666 18_666
C2 F1 C2A 64.8(11) 17_656 18_666
F1A F1 C2A 141(10) 16_556 17_656
C2 F1 C2A 64.8(11) 16_556 17_656
C2 F1 C2A 0.0(13) 18_666 17_656
C2 F1 C2A 64.8(11) 17_656 17_656
C2A F1 C2A 64.8(13) 18_666 17_656
F1A F1 C2A 143(10) 16_556 16_556
C2 F1 C2A 64.8(11) 16_556 16_556
C2 F1 C2A 64.8(11) 18_666 16_556
C2 F1 C2A 0.0(7) 17_656 16_556
C2A F1 C2A 64.8(13) 18_666 16_556
C2A F1 C2A 64.8(13) 17_656 16_556
F1A F1 C2B 141(10) 16_556 17_656
C2 F1 C2B 0.0(9) 16_556 17_656
C2 F1 C2B 64.8(11) 18_666 17_656
C2 F1 C2B 64.8(11) 17_656 17_656
C2A F1 C2B 0.0(8) 18_666 17_656
C2A F1 C2B 64.8(11) 17_656 17_656
C2A F1 C2B 64.8(11) 16_556 17_656
F1A F1 C2B 141(10) 16_556 16_556
C2 F1 C2B 64.8(11) 16_556 16_556
C2 F1 C2B 0.0(7) 18_666 16_556
C2 F1 C2B 64.8(11) 17_656 16_556
C2A F1 C2B 64.8(11) 18_666 16_556
C2A F1 C2B 0.0(10) 17_656 16_556
C2A F1 C2B 64.8(11) 16_556 16_556
C2B F1 C2B 64.8(13) 17_656 16_556
F1A F1 C2B 143(10) 16_556 18_666
C2 F1 C2B 64.8(11) 16_556 18_666
C2 F1 C2B 64.8(11) 18_666 18_666
C2 F1 C2B 0.0(10) 17_656 18_666
C2A F1 C2B 64.8(11) 18_666 18_666
C2A F1 C2B 64.8(11) 17_656 18_666
C2A F1 C2B 0.0(10) 16_556 18_666
C2B F1 C2B 64.8(13) 17_656 18_666
C2B F1 C2B 64.8(13) 16_556 18_666
F1A F1 C2D 141(10) 16_556 3_665
C2 F1 C2D 0.0(9) 16_556 3_665
C2 F1 C2D 64.7(11) 18_666 3_665
C2 F1 C2D 64.7(11) 17_656 3_665
C2A F1 C2D 0.0(9) 18_666 3_665
C2A F1 C2D 64.7(11) 17_656 3_665
C2A F1 C2D 64.7(11) 16_556 3_665
C2B F1 C2D 0.0(9) 17_656 3_665
C2B F1 C2D 64.7(11) 16_556 3_665
C2B F1 C2D 64.7(11) 18_666 3_665
F1A F1 C2D 141(10) 16_556 2_655
C2 F1 C2D 64.7(11) 16_556 2_655
C2 F1 C2D 0.0(7) 18_666 2_655
C2 F1 C2D 64.7(11) 17_656 2_655
C2A F1 C2D 64.7(11) 18_666 2_655
C2A F1 C2D 0.0(7) 17_656 2_655
C2A F1 C2D 64.7(11) 16_556 2_655
C2B F1 C2D 64.7(11) 17_656 2_655
C2B F1 C2D 0.0(7) 16_556 2_655
C2B F1 C2D 64.7(11) 18_666 2_655
C2D F1 C2D 64.7(12) 3_665 2_655
C2 F1A C2 64.7(12) . 3_665
C2 F1A C2 64.7(12) . 2_655
C2 F1A C2 64.7(12) 3_665 2_655
C2 F1A C2A 0.0(9) . 3_665
C2 F1A C2A 64.7(10) 3_665 3_665
C2 F1A C2A 64.7(10) 2_655 3_665
C2 F1A C2A 64.7(10) . 2_655
C2 F1A C2A 0.0(13) 3_665 2_655
C2 F1A C2A 64.7(10) 2_655 2_655
C2A F1A C2A 64.7(12) 3_665 2_655
C2 F1A C2A 64.7(10) . .
C2 F1A C2A 64.7(10) 3_665 .
C2 F1A C2A 0.0(13) 2_655 .
C2A F1A C2A 64.7(12) 3_665 .
C2A F1A C2A 64.7(12) 2_655 .
C2 F1A C2B 64.7(10) . .
C2 F1A C2B 0.0(7) 3_665 .
C2 F1A C2B 64.7(10) 2_655 .
C2A F1A C2B 64.7(10) 3_665 .
C2A F1A C2B 0.0(7) 2_655 .
C2A F1A C2B 64.7(10) . .
C2 F1A C2B 0.0(9) . 2_655
C2 F1A C2B 64.7(10) 3_665 2_655
C2 F1A C2B 64.7(10) 2_655 2_655
C2A F1A C2B 0.0(9) 3_665 2_655
C2A F1A C2B 64.7(10) 2_655 2_655
C2A F1A C2B 64.7(10) . 2_655
C2B F1A C2B 64.7(12) . 2_655
C2 F1A C2B 64.7(10) . 3_665
C2 F1A C2B 64.7(10) 3_665 3_665
C2 F1A C2B 0.0(7) 2_655 3_665
C2A F1A C2B 64.7(10) 3_665 3_665
C2A F1A C2B 64.7(10) 2_655 3_665
C2A F1A C2B 0.0(10) . 3_665
C2B F1A C2B 64.7(12) . 3_665
C2B F1A C2B 64.7(12) 2_655 3_665
F1 F1A C2D 38(10) 16_556 18_666
C2 F1A C2D 0.0(9) . 18_666
C2 F1A C2D 64.7(11) 3_665 18_666
C2 F1A C2D 64.7(11) 2_655 18_666
C2A F1A C2D 0.0(9) 3_665 18_666
C2A F1A C2D 64.7(11) 2_655 18_666
C2A F1A C2D 64.7(11) . 18_666
C2B F1A C2D 64.7(11) . 18_666
C2B F1A C2D 0.0(9) 2_655 18_666
C2B F1A C2D 64.7(11) 3_665 18_666
F1 F1A C2D 37(10) 16_556 17_656
C2 F1A C2D 64.7(11) . 17_656
C2 F1A C2D 0.0(7) 3_665 17_656
C2 F1A C2D 64.7(11) 2_655 17_656
C2A F1A C2D 64.7(11) 3_665 17_656
C2A F1A C2D 0.0(10) 2_655 17_656
C2A F1A C2D 64.7(11) . 17_656
C2B F1A C2D 0.0(12) . 17_656
C2B F1A C2D 64.7(11) 2_655 17_656
C2B F1A C2D 64.7(11) 3_665 17_656
C2D F1A C2D 64.7(13) 18_666 17_656
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 N1 2.139(7) 2_765
Cd1 N1 2.139(7) 3_675
Cd1 N1 2.139(7) 14_565
Cd1 N1 2.139(7) .
Cd1 N1 2.139(7) 13_775
Cd1 N1 2.139(7) 15_655
Cd1 S1 2.846(5) 2_765
Cd1 S1 2.846(5) 3_675
Cd1 S1 2.846(5) .
Cd1 S1 2.846(5) 15_655
Cd1 S1 2.846(5) 14_565
Cd1 S1 2.846(5) 13_775
S1 N1 0.902(10) .
S1 C1 1.435(6) .
C1 N1 1.282(9) 16_556
C1 N1 1.282(9) .
C1 S1 1.435(6) 16_556
C3 C3A 0.001(14) 16_556
C3 C2E 1.523(18) 17_656
C3 C2E 1.523(18) 16_556
C3 C2E 1.523(18) 18_666
C3 C2D 1.523(18) 18_666
C3 C2D 1.523(18) 17_656
C3 C2D 1.523(18) 16_556
C3 C2C 1.523(18) 18_666
C3 C2C 1.523(18) 17_656
C3 C2C 1.523(18) 16_556
C3 C2B 1.524(17) 2_655
C3 C2B 1.524(17) 3_665
C2 C2A 0.00(3) 3_665
C2 C2B 0.00(3) 2_655
C2 C2C 0.00(3) 16_556
C2 C2D 0.00(3) 18_666
C2 C2E 0.00(3) 17_656
C2 F1 1.39(2) 16_556
C2 F1A 1.39(2) .
C2 C2B 1.491(14) .
C2 C2A 1.491(14) 2_655
C2 C2D 1.491(15) 17_656
C2 C2A 1.491(14) .
C2 C2B 1.491(14) 3_665
N2 C6 1.513(17) .
N2 C6 1.513(17) 2_655
N2 C6 1.513(17) 3_665
N2 C5 1.526(17) 3_665
N2 C5 1.526(17) .
N2 C5 1.526(17) 2_655
N2 C3A 1.558(10) 16_556
N2 C3A 1.558(10) .
N2 C4 1.526(17) .
N2 C4 1.526(17) 3_665
N2 C4 1.526(17) 2_655
C2A C2B 0.00(4) 3_665
C2A C2 0.00(3) 2_655
C2A C2D 0.00(3) 16_556
C2A C2C 0.00(3) 17_656
C2A C2E 0.00(3) 18_666
C2A F1 1.39(2) 16_556
C2A F1A 1.39(2) .
C2A C2B 1.491(14) 2_655
C2A C2A 1.49(2) 3_665
C2A C2D 1.491(15) 18_666
C2A C2A 1.49(2) 2_655
C2A C2D 1.491(15) 17_656
C2B C2A 0.00(4) 2_655
C2B C2 0.00(3) 3_665
C2B C2D 0.00(3) 17_656
C2B C2C 0.00(3) 18_666
C2B C2E 0.00(3) 16_556
C2B F1 1.39(2) 16_556
C2B F1A 1.39(2) .
C2B C2B 1.49(2) 2_655
C2B C2A 1.491(14) 3_665
C2B C2D 1.491(15) 18_666
C2B C2B 1.49(2) 3_665
C3A C3 0.001(14) 16_556
C3A C2E 1.524(17) 2_655
C3A C2E 1.524(17) 3_665
C3A C2D 1.524(17) 3_665
C3A C2E 1.524(17) .
C3A C2D 1.524(17) 2_655
C3A C2D 1.524(17) .
C3A C2C 1.524(17) .
C3A C2C 1.524(17) 3_665
C3A C2C 1.524(17) 2_655
C3A C2B 1.524(18) 17_656
C3A C2B 1.524(18) 16_556
C2C C2E 0.00(3) 2_655
C2C C2D 0.00(3) 3_665
C2C C2B 0.00(3) 17_656
C2C C2A 0.00(3) 18_666
C2C C2 0.00(3) 16_556
C2C F1 1.39(2) .
C2C F1A 1.39(2) 16_556
C2C C2D 1.491(14) 2_655
C2C C2B 1.491(15) 16_556
C2C C2A 1.491(15) 17_656
C2C C2B 1.491(15) 18_666
C2C C2A 1.491(15) 16_556
C2D C2E 0.00(3) 3_665
C2D C2C 0.00(4) 2_655
C2D C2B 0.00(3) 18_666
C2D C2A 0.00(3) 16_556
C2D C2 0.00(3) 17_656
C2D F1 1.39(2) .
C2D F1A 1.39(2) 16_556
C2D C2D 1.49(2) 3_665
C2D C2B 1.491(15) 17_656
C2D C2A 1.491(15) 18_666
C2D C2D 1.49(2) 2_655
C2D C2B 1.491(15) 16_556
C2E C2D 0.00(4) 2_655
C2E C2C 0.00(4) 3_665
C2E C2B 0.00(3) 16_556
C2E C2A 0.00(3) 17_656
C2E C2 0.00(3) 18_666
C2E F1 1.39(2) .
C2E F1A 1.39(2) 16_556
C2E C2D 1.491(14) 3_665
C2E C2B 1.491(15) 17_656
C2E C2A 1.491(15) 18_666
C2E C2B 1.491(16) 18_666
C2E C2A 1.491(15) 16_556
C4 C5 0.00(4) 3_665
C4 C6 0.01(2) 2_655
C5 C4 0.00(3) 2_655
C5 C6 0.01(2) 3_665
C6 C5 0.01(2) 2_655
C6 C4 0.01(2) 3_665
F1 F1A 0.00(3) 16_556
F1 C2 1.39(2) 16_556
F1 C2 1.39(2) 18_666
F1 C2 1.39(2) 17_656
F1 C2A 1.39(2) 18_666
F1 C2A 1.39(2) 17_656
F1 C2A 1.39(2) 16_556
F1 C2B 1.39(2) 17_656
F1 C2B 1.39(2) 16_556
F1 C2B 1.39(2) 18_666
F1 C2D 1.39(2) 3_665
F1 C2D 1.39(2) 2_655
F1A F1 0.00(3) 16_556
F1A C2 1.39(2) 3_665
F1A C2 1.39(2) 2_655
F1A C2A 1.39(2) 3_665
F1A C2A 1.39(2) 2_655
F1A C2B 1.39(2) 2_655
F1A C2B 1.39(2) 3_665
F1A C2D 1.39(2) 18_666
F1A C2D 1.39(2) 17_656
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
N1 Cd1 S1 N1 39.9(2) 2_765 .
N1 Cd1 S1 N1 -39.88(19) 3_675 .
N1 Cd1 S1 N1 -140.1(2) 14_565 .
N1 Cd1 S1 N1 179.996(4) 13_775 .
N1 Cd1 S1 N1 140.12(19) 15_655 .
S1 Cd1 S1 N1 49.79(9) 2_765 .
S1 Cd1 S1 N1 -49.79(8) 3_675 .
S1 Cd1 S1 N1 130.21(8) 15_655 .
S1 Cd1 S1 N1 -130.21(8) 14_565 .
S1 Cd1 S1 N1 -163(100) 13_775 .
N1 Cd1 S1 C1 39.9(2) 2_765 .
N1 Cd1 S1 C1 -39.9(2) 3_675 .
N1 Cd1 S1 C1 -140.1(2) 14_565 .
N1 Cd1 S1 C1 0.000(2) . .
N1 Cd1 S1 C1 179.996(2) 13_775 .
N1 Cd1 S1 C1 140.1(2) 15_655 .
S1 Cd1 S1 C1 49.79(8) 2_765 .
S1 Cd1 S1 C1 -49.79(8) 3_675 .
S1 Cd1 S1 C1 130.21(8) 15_655 .
S1 Cd1 S1 C1 -130.21(8) 14_565 .
S1 Cd1 S1 C1 -163(100) 13_775 .
N1 S1 C1 N1 179.99(5) . 16_556
Cd1 S1 C1 N1 179.99(5) . 16_556
Cd1 S1 C1 N1 0.000(3) . .
N1 S1 C1 S1 180.000(4) . 16_556
Cd1 S1 C1 S1 180.000(3) . 16_556
Cd1 S1 N1 C1 180.000(4) . .
C1 S1 N1 Cd1 180.000(3) . .
N1 C1 N1 S1 180.004(4) 16_556 .
S1 C1 N1 S1 0.00(5) 16_556 .
N1 C1 N1 Cd1 0.004(5) 16_556 .
S1 C1 N1 Cd1 180.00(5) 16_556 .
S1 C1 N1 Cd1 180.000(4) . .
N1 Cd1 N1 S1 -139.34(14) 2_765 .
N1 Cd1 N1 S1 139.34(14) 3_675 .
N1 Cd1 N1 S1 40.66(14) 14_565 .
N1 Cd1 N1 S1 -62.3(18) 13_775 .
N1 Cd1 N1 S1 -40.66(14) 15_655 .
S1 Cd1 N1 S1 -130.90(6) 2_765 .
S1 Cd1 N1 S1 130.90(6) 3_675 .
S1 Cd1 N1 S1 -49.10(6) 15_655 .
S1 Cd1 N1 S1 49.10(6) 14_565 .
S1 Cd1 N1 S1 180.000(5) 13_775 .
N1 Cd1 N1 C1 40.66(14) 2_765 .
N1 Cd1 N1 C1 -40.66(14) 3_675 .
N1 Cd1 N1 C1 -139.34(14) 14_565 .
N1 Cd1 N1 C1 118(2) 13_775 .
N1 Cd1 N1 C1 139.34(14) 15_655 .
S1 Cd1 N1 C1 49.10(6) 2_765 .
S1 Cd1 N1 C1 -49.10(6) 3_675 .
S1 Cd1 N1 C1 180.000(7) . .
S1 Cd1 N1 C1 130.90(6) 15_655 .
S1 Cd1 N1 C1 -130.90(6) 14_565 .
S1 Cd1 N1 C1 0.000(6) 13_775 .
C3A C3 N2 C6 14(22) 16_556 .
C2E C3 N2 C6 -60.0 17_656 .
C2E C3 N2 C6 59.998(1) 16_556 .
C2E C3 N2 C6 180.002(2) 18_666 .
C2D C3 N2 C6 -60.0 18_666 .
C2D C3 N2 C6 60.000(1) 17_656 .
C2D C3 N2 C6 180.000(1) 16_556 .
C2C C3 N2 C6 60.0 18_666 .
C2C C3 N2 C6 180.002(2) 17_656 .
C2C C3 N2 C6 -60.0 16_556 .
C2B C3 N2 C6 -60.0 2_655 .
C2B C3 N2 C6 180.000(1) 3_665 .
C3A C3 N2 C6 134(22) 16_556 2_655
C2E C3 N2 C6 60.002(1) 17_656 2_655
C2E C3 N2 C6 179.998(1) 16_556 2_655
C2E C3 N2 C6 -59.998(2) 18_666 2_655
C2D C3 N2 C6 59.999(1) 18_666 2_655
C2D C3 N2 C6 180.001(1) 17_656 2_655
C2D C3 N2 C6 -60.000(2) 16_556 2_655
C2C C3 N2 C6 179.999(1) 18_666 2_655
C2C C3 N2 C6 -59.997(2) 17_656 2_655
C2C C3 N2 C6 60.0 16_556 2_655
C2B C3 N2 C6 60.0 2_655 2_655
C2B C3 N2 C6 -59.999(2) 3_665 2_655
C3A C3 N2 C6 -106(22) 16_556 3_665
C2E C3 N2 C6 180.0 17_656 3_665
C2E C3 N2 C6 -60.003(1) 16_556 3_665
C2E C3 N2 C6 60.001(2) 18_666 3_665
C2D C3 N2 C6 179.999(1) 18_666 3_665
C2D C3 N2 C6 -60.000(1) 17_656 3_665
C2D C3 N2 C6 59.999(2) 16_556 3_665
C2C C3 N2 C6 -60.002(1) 18_666 3_665
C2C C3 N2 C6 60.002(2) 17_656 3_665
C2C C3 N2 C6 180.0 16_556 3_665
C2B C3 N2 C6 180.0 2_655 3_665
C2B C3 N2 C6 60.000(1) 3_665 3_665
C3A C3 N2 C5 134(22) 16_556 3_665
C2E C3 N2 C5 60.002(1) 17_656 3_665
C2E C3 N2 C5 179.998(1) 16_556 3_665
C2E C3 N2 C5 -59.998(2) 18_666 3_665
C2D C3 N2 C5 59.999(1) 18_666 3_665
C2D C3 N2 C5 180.001(1) 17_656 3_665
C2D C3 N2 C5 -60.000(2) 16_556 3_665
C2C C3 N2 C5 179.999(1) 18_666 3_665
C2C C3 N2 C5 -59.997(2) 17_656 3_665
C2C C3 N2 C5 60.0 16_556 3_665
C2B C3 N2 C5 60.0 2_655 3_665
C2B C3 N2 C5 -59.999(2) 3_665 3_665
C3A C3 N2 C5 -106(22) 16_556 .
C2E C3 N2 C5 180.0 17_656 .
C2E C3 N2 C5 -60.002(1) 16_556 .
C2E C3 N2 C5 60.002(2) 18_666 .
C2D C3 N2 C5 180.0 18_666 .
C2D C3 N2 C5 -60.000(1) 17_656 .
C2D C3 N2 C5 60.000(1) 16_556 .
C2C C3 N2 C5 -60.002(1) 18_666 .
C2C C3 N2 C5 60.002(2) 17_656 .
C2C C3 N2 C5 180.0 16_556 .
C2B C3 N2 C5 180.0 2_655 .
C2B C3 N2 C5 60.000(2) 3_665 .
C3A C3 N2 C5 14(22) 16_556 2_655
C2E C3 N2 C5 -60.0 17_656 2_655
C2E C3 N2 C5 59.999(2) 16_556 2_655
C2E C3 N2 C5 180.003(1) 18_666 2_655
C2D C3 N2 C5 -60.0 18_666 2_655
C2D C3 N2 C5 60.002(1) 17_656 2_655
C2D C3 N2 C5 180.001(1) 16_556 2_655
C2C C3 N2 C5 60.000(1) 18_666 2_655
C2C C3 N2 C5 180.004(2) 17_656 2_655
C2C C3 N2 C5 -60.0 16_556 2_655
C2B C3 N2 C5 -60.0 2_655 2_655
C2B C3 N2 C5 180.001(1) 3_665 2_655
C2E C3 N2 C3A -74(30) 17_656 16_556
C2E C3 N2 C3A 46(30) 16_556 16_556
C2E C3 N2 C3A 166(30) 18_666 16_556
C2D C3 N2 C3A -74(30) 18_666 16_556
C2D C3 N2 C3A 46(30) 17_656 16_556
C2D C3 N2 C3A 166(30) 16_556 16_556
C2C C3 N2 C3A 46(30) 18_666 16_556
C2C C3 N2 C3A 166(30) 17_656 16_556
C2C C3 N2 C3A -74(30) 16_556 16_556
C2B C3 N2 C3A -74(30) 2_655 16_556
C2B C3 N2 C3A 166(30) 3_665 16_556
C3A C3 N2 C3A 0(100) 16_556 .
C2E C3 N2 C3A -123(100) 17_656 .
C2E C3 N2 C3A -3(100) 16_556 .
C2E C3 N2 C3A 117(100) 18_666 .
C2D C3 N2 C3A -123(100) 18_666 .
C2D C3 N2 C3A -3(100) 17_656 .
C2D C3 N2 C3A 117(100) 16_556 .
C2C C3 N2 C3A -3(100) 18_666 .
C2C C3 N2 C3A 117(100) 17_656 .
C2C C3 N2 C3A -123(100) 16_556 .
C2B C3 N2 C3A -123(100) 2_655 .
C2B C3 N2 C3A 117(100) 3_665 .
C3A C3 N2 C4 134(22) 16_556 .
C2E C3 N2 C4 60.001(1) 17_656 .
C2E C3 N2 C4 179.998(1) 16_556 .
C2E C3 N2 C4 -59.998(2) 18_666 .
C2D C3 N2 C4 59.999(1) 18_666 .
C2D C3 N2 C4 180.000(1) 17_656 .
C2D C3 N2 C4 -60.000(2) 16_556 .
C2C C3 N2 C4 179.998(1) 18_666 .
C2C C3 N2 C4 -59.998(2) 17_656 .
C2C C3 N2 C4 60.0 16_556 .
C2B C3 N2 C4 60.000(1) 2_655 .
C2B C3 N2 C4 -60.000(2) 3_665 .
C3A C3 N2 C4 14(22) 16_556 3_665
C2E C3 N2 C4 -60.0 17_656 3_665
C2E C3 N2 C4 59.998(2) 16_556 3_665
C2E C3 N2 C4 180.002(2) 18_666 3_665
C2D C3 N2 C4 -60.0 18_666 3_665
C2D C3 N2 C4 60.001(1) 17_656 3_665
C2D C3 N2 C4 180.000(2) 16_556 3_665
C2C C3 N2 C4 59.998(1) 18_666 3_665
C2C C3 N2 C4 180.002(2) 17_656 3_665
C2C C3 N2 C4 -60.0 16_556 3_665
C2B C3 N2 C4 -60.0 2_655 3_665
C2B C3 N2 C4 180.000(1) 3_665 3_665
C3A C3 N2 C4 -106(22) 16_556 2_655
C2E C3 N2 C4 180.0 17_656 2_655
C2E C3 N2 C4 -60.002(1) 16_556 2_655
C2E C3 N2 C4 60.002(2) 18_666 2_655
C2D C3 N2 C4 180.0 18_666 2_655
C2D C3 N2 C4 -60.000(1) 17_656 2_655
C2D C3 N2 C4 59.999(1) 16_556 2_655
C2C C3 N2 C4 -60.002(1) 18_666 2_655
C2C C3 N2 C4 60.002(2) 17_656 2_655
C2C C3 N2 C4 180.0 16_556 2_655
C2B C3 N2 C4 180.0 2_655 2_655
C2B C3 N2 C4 60.000(2) 3_665 2_655
C2B C2A C2B C2A 177(100) 3_665 2_655
C2 C2A C2B C2A 172(100) 2_655 2_655
C2D C2A C2B C2A -173(100) 16_556 2_655
C2C C2A C2B C2A -173(100) 17_656 2_655
C2E C2A C2B C2A -171(100) 18_666 2_655
F1 C2A C2B C2A -13(100) 16_556 2_655
F1A C2A C2B C2A -13(100) . 2_655
C2B C2A C2B C2A -81(100) 2_655 2_655
C2A C2A C2B C2A -81(100) 3_665 2_655
C2D C2A C2B C2A -81(100) 18_666 2_655
C2D C2A C2B C2A -171(100) 17_656 2_655
C2B C2A C2B C2 27(100) 3_665 3_665
C2 C2A C2B C2 22(100) 2_655 3_665
C2D C2A C2B C2 37(100) 16_556 3_665
C2C C2A C2B C2 36(100) 17_656 3_665
C2E C2A C2B C2 38(100) 18_666 3_665
F1 C2A C2B C2 -163(100) 16_556 3_665
F1A C2A C2B C2 -163(100) . 3_665
C2B C2A C2B C2 129(100) 2_655 3_665
C2A C2A C2B C2 129(100) 3_665 3_665
C2D C2A C2B C2 129(100) 18_666 3_665
C2A C2A C2B C2 -150(100) 2_655 3_665
C2D C2A C2B C2 39(100) 17_656 3_665
C2B C2A C2B C2D -12(100) 3_665 17_656
C2 C2A C2B C2D -17(100) 2_655 17_656
C2D C2A C2B C2D -2(100) 16_556 17_656
C2C C2A C2B C2D -2(100) 17_656 17_656
C2E C2A C2B C2D 0(100) 18_666 17_656
F1 C2A C2B C2D 158(100) 16_556 17_656
F1A C2A C2B C2D 158(100) . 17_656
C2B C2A C2B C2D 90(100) 2_655 17_656
C2A C2A C2B C2D 90(100) 3_665 17_656
C2D C2A C2B C2D 90(100) 18_666 17_656
C2A C2A C2B C2D 171(100) 2_655 17_656
C2B C2A C2B C2C -11(100) 3_665 18_666
C2 C2A C2B C2C -16(100) 2_655 18_666
C2D C2A C2B C2C -1(100) 16_556 18_666
C2C C2A C2B C2C -1(100) 17_656 18_666
C2E C2A C2B C2C 1(100) 18_666 18_666
F1 C2A C2B C2C 160(100) 16_556 18_666
F1A C2A C2B C2C 160(100) . 18_666
C2B C2A C2B C2C 91(100) 2_655 18_666
C2A C2A C2B C2C 91(100) 3_665 18_666
C2D C2A C2B C2C 91(100) 18_666 18_666
C2A C2A C2B C2C 172(100) 2_655 18_666
C2D C2A C2B C2C 1(100) 17_656 18_666
C2B C2A C2B C2E -14(100) 3_665 16_556
C2 C2A C2B C2E -19(100) 2_655 16_556
C2D C2A C2B C2E -4(100) 16_556 16_556
C2C C2A C2B C2E -4(100) 17_656 16_556
C2E C2A C2B C2E -2(100) 18_666 16_556
F1 C2A C2B C2E 156(100) 16_556 16_556
F1A C2A C2B C2E 157(100) . 16_556
C2B C2A C2B C2E 88(100) 2_655 16_556
C2A C2A C2B C2E 88(100) 3_665 16_556
C2D C2A C2B C2E 88(100) 18_666 16_556
C2A C2A C2B C2E 169(100) 2_655 16_556
C2D C2A C2B C2E -2(100) 17_656 16_556
C2B C2A C2B F1 -170(100) 3_665 16_556
C2 C2A C2B F1 -175(100) 2_655 16_556
C2D C2A C2B F1 -160(100) 16_556 16_556
C2C C2A C2B F1 -161(100) 17_656 16_556
C2E C2A C2B F1 -159(100) 18_666 16_556
F1A C2A C2B F1 0.0(5) . 16_556
C2B C2A C2B F1 -68.5(7) 2_655 16_556
C2A C2A C2B F1 -68.5(7) 3_665 16_556
C2D C2A C2B F1 -68.6(9) 18_666 16_556
C2A C2A C2B F1 13(100) 2_655 16_556
C2D C2A C2B F1 -158(100) 17_656 16_556
C2B C2A C2B F1A -170(100) 3_665 .
C2 C2A C2B F1A -175(100) 2_655 .
C2D C2A C2B F1A -160(100) 16_556 .
C2C C2A C2B F1A -161(100) 17_656 .
C2E C2A C2B F1A -159(100) 18_666 .
F1 C2A C2B F1A 0.0(5) 16_556 .
C2B C2A C2B F1A -68.5(7) 2_655 .
C2A C2A C2B F1A -68.5(7) 3_665 .
C2D C2A C2B F1A -68.6(10) 18_666 .
C2A C2A C2B F1A 13(100) 2_655 .
C2D C2A C2B F1A -158(100) 17_656 .
C2B C2A C2B C2B -102(100) 3_665 2_655
C2 C2A C2B C2B -107(100) 2_655 2_655
C2D C2A C2B C2B -92(100) 16_556 2_655
C2C C2A C2B C2B -92(100) 17_656 2_655
C2E C2A C2B C2B -90(100) 18_666 2_655
F1 C2A C2B C2B 68.5(7) 16_556 2_655
F1A C2A C2B C2B 68.5(7) . 2_655
C2A C2A C2B C2B 0.0(11) 3_665 2_655
C2D C2A C2B C2B 0.0(11) 18_666 2_655
C2A C2A C2B C2B 81(100) 2_655 2_655
C2D C2A C2B C2B -90(100) 17_656 2_655
C2B C2A C2B C2A -102(100) 3_665 3_665
C2 C2A C2B C2A -107(100) 2_655 3_665
C2D C2A C2B C2A -92(100) 16_556 3_665
C2C C2A C2B C2A -92(100) 17_656 3_665
C2E C2A C2B C2A -90(100) 18_666 3_665
F1 C2A C2B C2A 68.5(7) 16_556 3_665
F1A C2A C2B C2A 68.5(7) . 3_665
C2B C2A C2B C2A 0.0(11) 2_655 3_665
C2D C2A C2B C2A 0.0(11) 18_666 3_665
C2A C2A C2B C2A 81(100) 2_655 3_665
C2D C2A C2B C2A -90(100) 17_656 3_665
C2B C2A C2B C2D -102(100) 3_665 18_666
C2 C2A C2B C2D -107(100) 2_655 18_666
C2D C2A C2B C2D -92(100) 16_556 18_666
C2C C2A C2B C2D -92(100) 17_656 18_666
C2E C2A C2B C2D -90(100) 18_666 18_666
F1 C2A C2B C2D 68.6(9) 16_556 18_666
F1A C2A C2B C2D 68.6(10) . 18_666
C2B C2A C2B C2D 0.0(11) 2_655 18_666
C2A C2A C2B C2D 0.0(11) 3_665 18_666
C2A C2A C2B C2D 81(100) 2_655 18_666
C2D C2A C2B C2D -90(100) 17_656 18_666
C2 C2A C2B C2B -5(100) 2_655 3_665
C2D C2A C2B C2B 10(100) 16_556 3_665
C2C C2A C2B C2B 10(100) 17_656 3_665
C2E C2A C2B C2B 12(100) 18_666 3_665
F1 C2A C2B C2B 170(100) 16_556 3_665
F1A C2A C2B C2B 170(100) . 3_665
C2B C2A C2B C2B 102(100) 2_655 3_665
C2A C2A C2B C2B 102(100) 3_665 3_665
C2D C2A C2B C2B 102(100) 18_666 3_665
C2A C2A C2B C2B -177(100) 2_655 3_665
C2D C2A C2B C2B 12(100) 17_656 3_665
C6 N2 C4 C5 -114(100) . 3_665
C6 N2 C4 C5 -4(100) 2_655 3_665
C6 N2 C4 C5 66(100) 3_665 3_665
C5 N2 C4 C5 66(100) . 3_665
C5 N2 C4 C5 -114(100) 2_655 3_665
C3A N2 C4 C5 156(100) 16_556 3_665
C3A N2 C4 C5 -24(100) . 3_665
C4 N2 C4 C5 -114(100) 3_665 3_665
C4 N2 C4 C5 66(100) 2_655 3_665
C3 N2 C4 C5 156(100) . 3_665
C6 N2 C4 C6 -110(100) . 2_655
C6 N2 C4 C6 70(100) 3_665 2_655
C5 N2 C4 C6 4(100) 3_665 2_655
C5 N2 C4 C6 70(100) . 2_655
C5 N2 C4 C6 -110(100) 2_655 2_655
C3A N2 C4 C6 160(100) 16_556 2_655
C3A N2 C4 C6 -20(100) . 2_655
C4 N2 C4 C6 -110(100) 3_665 2_655
C4 N2 C4 C6 70(100) 2_655 2_655
C3 N2 C4 C6 160(100) . 2_655
C6 N2 C5 C4 94.540(14) . 2_655
C6 N2 C5 C4 -85.458(14) 2_655 2_655
C6 N2 C5 C4 -18.67(2) 3_665 2_655
C5 N2 C5 C4 -85.459(14) 3_665 2_655
C5 N2 C5 C4 94.539(14) 2_655 2_655
C3A N2 C5 C4 -175.461(14) 16_556 2_655
C3A N2 C5 C4 4.540(14) . 2_655
C4 N2 C5 C4 -85.460(14) . 2_655
C4 N2 C5 C4 94.539(14) 3_665 2_655
C3 N2 C5 C4 -175.460(14) . 2_655
C6 N2 C5 C6 113.21(2) . 3_665
C6 N2 C5 C6 -66.79(2) 2_655 3_665
C5 N2 C5 C6 -66.79(2) 3_665 3_665
C5 N2 C5 C6 113.21(2) 2_655 3_665
C3A N2 C5 C6 -156.79(2) 16_556 3_665
C3A N2 C5 C6 23.21(2) . 3_665
C4 N2 C5 C6 -66.79(2) . 3_665
C4 N2 C5 C6 113.21(2) 3_665 3_665
C4 N2 C5 C6 18.67(2) 2_655 3_665
C3 N2 C5 C6 -156.79(2) . 3_665
C6 N2 C6 C5 37(100) 2_655 2_655
C6 N2 C6 C5 -143(100) 3_665 2_655
C5 N2 C6 C5 37(100) 3_665 2_655
C5 N2 C6 C5 -143(100) . 2_655
C3A N2 C6 C5 127(100) 16_556 2_655
C3A N2 C6 C5 -53(100) . 2_655
C4 N2 C6 C5 37(100) . 2_655
C4 N2 C6 C5 -43(100) 3_665 2_655
C4 N2 C6 C5 -143(100) 2_655 2_655
C3 N2 C6 C5 127(100) . 2_655
C6 N2 C6 C4 80(100) 2_655 3_665
C6 N2 C6 C4 -100(100) 3_665 3_665
C5 N2 C6 C4 80(100) 3_665 3_665
C5 N2 C6 C4 -100(100) . 3_665
C5 N2 C6 C4 43(100) 2_655 3_665
C3A N2 C6 C4 170(100) 16_556 3_665
C3A N2 C6 C4 -10(100) . 3_665
C4 N2 C6 C4 80(100) . 3_665
C4 N2 C6 C4 -100(100) 2_655 3_665
C3 N2 C6 C4 170(100) . 3_665
C2A C2 F1A F1 -166(100) 3_665 16_556
C2B C2 F1A F1 -23(100) 2_655 16_556
C2C C2 F1A F1 -3(100) 16_556 16_556
C2D C2 F1A F1 -4(100) 18_666 16_556
C2E C2 F1A F1 0(100) 17_656 16_556
C2B C2 F1A F1 34(100) . 16_556
C2A C2 F1A F1 34(100) 2_655 16_556
C2D C2 F1A F1 34(100) 17_656 16_556
C2A C2 F1A F1 -39(100) . 16_556
C2B C2 F1A F1 -39(100) 3_665 16_556
C2A C2 F1A C2 160(100) 3_665 3_665
C2B C2 F1A C2 -57(100) 2_655 3_665
C2C C2 F1A C2 -37(100) 16_556 3_665
C2D C2 F1A C2 -38(100) 18_666 3_665
C2E C2 F1A C2 -34(100) 17_656 3_665
F1 C2 F1A C2 -34(100) 16_556 3_665
C2B C2 F1A C2 0.0(6) . 3_665
C2A C2 F1A C2 0.0(6) 2_655 3_665
C2D C2 F1A C2 0.0(5) 17_656 3_665
C2A C2 F1A C2 -72.6(5) . 3_665
C2B C2 F1A C2 -72.6(5) 3_665 3_665
C2A C2 F1A C2 -127(100) 3_665 2_655
C2B C2 F1A C2 15(100) 2_655 2_655
C2C C2 F1A C2 35(100) 16_556 2_655
C2D C2 F1A C2 35(100) 18_666 2_655
C2E C2 F1A C2 38(100) 17_656 2_655
F1 C2 F1A C2 39(100) 16_556 2_655
C2B C2 F1A C2 72.6(5) . 2_655
C2A C2 F1A C2 72.6(5) 2_655 2_655
C2D C2 F1A C2 72.6(6) 17_656 2_655
C2A C2 F1A C2 0.0(6) . 2_655
C2B C2 F1A C2 0.0(6) 3_665 2_655
C2B C2 F1A C2A 143(100) 2_655 3_665
C2C C2 F1A C2A 162(100) 16_556 3_665
C2D C2 F1A C2A 162(100) 18_666 3_665
C2E C2 F1A C2A 165(100) 17_656 3_665
F1 C2 F1A C2A 166(100) 16_556 3_665
C2B C2 F1A C2A -160(100) . 3_665
C2A C2 F1A C2A -160(100) 2_655 3_665
C2D C2 F1A C2A -160(100) 17_656 3_665
C2A C2 F1A C2A 127(100) . 3_665
C2B C2 F1A C2A 127(100) 3_665 3_665
C2A C2 F1A C2A 160(100) 3_665 2_655
C2B C2 F1A C2A -57(100) 2_655 2_655
C2C C2 F1A C2A -37(100) 16_556 2_655
C2D C2 F1A C2A -38(100) 18_666 2_655
C2E C2 F1A C2A -34(100) 17_656 2_655
F1 C2 F1A C2A -34(100) 16_556 2_655
C2B C2 F1A C2A 0.0(6) . 2_655
C2D C2 F1A C2A 0.0(5) 17_656 2_655
C2A C2 F1A C2A -72.6(9) . 2_655
C2B C2 F1A C2A -72.6(7) 3_665 2_655
C2A C2 F1A C2A -127(100) 3_665 .
C2B C2 F1A C2A 15(100) 2_655 .
C2C C2 F1A C2A 35(100) 16_556 .
C2D C2 F1A C2A 35(100) 18_666 .
C2E C2 F1A C2A 38(100) 17_656 .
F1 C2 F1A C2A 39(100) 16_556 .
C2B C2 F1A C2A 72.6(7) . .
C2A C2 F1A C2A 72.6(9) 2_655 .
C2D C2 F1A C2A 72.6(8) 17_656 .
C2B C2 F1A C2A 0.0(6) 3_665 .
C2A C2 F1A C2B 160(100) 3_665 .
C2B C2 F1A C2B -57(100) 2_655 .
C2C C2 F1A C2B -37(100) 16_556 .
C2D C2 F1A C2B -38(100) 18_666 .
C2E C2 F1A C2B -34(100) 17_656 .
F1 C2 F1A C2B -34(100) 16_556 .
C2A C2 F1A C2B 0.0(6) 2_655 .
C2D C2 F1A C2B 0.0(6) 17_656 .
C2A C2 F1A C2B -72.6(7) . .
C2B C2 F1A C2B -72.6(9) 3_665 .
C2A C2 F1A C2B -143(100) 3_665 2_655
C2C C2 F1A C2B 20(100) 16_556 2_655
C2D C2 F1A C2B 19(100) 18_666 2_655
C2E C2 F1A C2B 23(100) 17_656 2_655
F1 C2 F1A C2B 23(100) 16_556 2_655
C2B C2 F1A C2B 57(100) . 2_655
C2A C2 F1A C2B 57(100) 2_655 2_655
C2D C2 F1A C2B 57(100) 17_656 2_655
C2A C2 F1A C2B -15(100) . 2_655
C2B C2 F1A C2B -15(100) 3_665 2_655
C2A C2 F1A C2B -127(100) 3_665 3_665
C2B C2 F1A C2B 15(100) 2_655 3_665
C2C C2 F1A C2B 35(100) 16_556 3_665
C2D C2 F1A C2B 35(100) 18_666 3_665
C2E C2 F1A C2B 38(100) 17_656 3_665
F1 C2 F1A C2B 39(100) 16_556 3_665
C2B C2 F1A C2B 72.6(9) . 3_665
C2A C2 F1A C2B 72.6(7) 2_655 3_665
C2D C2 F1A C2B 72.6(8) 17_656 3_665
C2A C2 F1A C2B 0.0(6) . 3_665
C2A C2 F1A C2D -162(100) 3_665 18_666
C2B C2 F1A C2D -19(100) 2_655 18_666
C2C C2 F1A C2D 1(100) 16_556 18_666
C2E C2 F1A C2D 4(100) 17_656 18_666
F1 C2 F1A C2D 4(100) 16_556 18_666
C2B C2 F1A C2D 38(100) . 18_666
C2A C2 F1A C2D 38(100) 2_655 18_666
C2D C2 F1A C2D 38(100) 17_656 18_666
C2A C2 F1A C2D -35(100) . 18_666
C2B C2 F1A C2D -35(100) 3_665 18_666
C2A C2 F1A C2D 160(100) 3_665 17_656
C2B C2 F1A C2D -57(100) 2_655 17_656
C2C C2 F1A C2D -37(100) 16_556 17_656
C2D C2 F1A C2D -38(100) 18_666 17_656
C2E C2 F1A C2D -34(100) 17_656 17_656
F1 C2 F1A C2D -34(100) 16_556 17_656
C2B C2 F1A C2D 0.0(5) . 17_656
C2A C2 F1A C2D 0.0(5) 2_655 17_656
C2A C2 F1A C2D -72.6(8) . 17_656
C2B C2 F1A C2D -72.6(8) 3_665 17_656
C2B C2A F1A F1 4(100) 3_665 16_556
C2 C2A F1A F1 -10(100) 2_655 16_556
C2D C2A F1A F1 0(100) 16_556 16_556
C2C C2A F1A F1 4(100) 17_656 16_556
C2E C2A F1A F1 3(100) 18_666 16_556
C2B C2A F1A F1 37(100) 2_655 16_556
C2A C2A F1A F1 37(100) 3_665 16_556
C2D C2A F1A F1 37(100) 18_666 16_556
C2A C2A F1A F1 -36(100) 2_655 16_556
C2D C2A F1A F1 -36(100) 17_656 16_556
C2B C2A F1A C2 -33(100) 3_665 .
C2 C2A F1A C2 -47(100) 2_655 .
C2D C2A F1A C2 -37(100) 16_556 .
C2C C2A F1A C2 -33(100) 17_656 .
C2E C2A F1A C2 -34(100) 18_666 .
F1 C2A F1A C2 -37(100) 16_556 .
C2B C2A F1A C2 0.0(6) 2_655 .
C2A C2A F1A C2 0.0(6) 3_665 .
C2D C2A F1A C2 0.0(5) 18_666 .
C2A C2A F1A C2 -72.6(5) 2_655 .
C2D C2A F1A C2 -72.6(8) 17_656 .
C2B C2A F1A C2 40(100) 3_665 3_665
C2 C2A F1A C2 26(100) 2_655 3_665
C2D C2A F1A C2 36(100) 16_556 3_665
C2C C2A F1A C2 40(100) 17_656 3_665
C2E C2A F1A C2 39(100) 18_666 3_665
F1 C2A F1A C2 36(100) 16_556 3_665
C2B C2A F1A C2 72.6(7) 2_655 3_665
C2A C2A F1A C2 72.6(5) 3_665 3_665
C2D C2A F1A C2 72.6(8) 18_666 3_665
C2A C2A F1A C2 0.0(6) 2_655 3_665
C2D C2A F1A C2 0.0(5) 17_656 3_665
C2B C2A F1A C2 14(100) 3_665 2_655
C2D C2A F1A C2 10(100) 16_556 2_655
C2C C2A F1A C2 14(100) 17_656 2_655
C2E C2A F1A C2 13(100) 18_666 2_655
F1 C2A F1A C2 10(100) 16_556 2_655
C2B C2A F1A C2 47(100) 2_655 2_655
C2A C2A F1A C2 47(100) 3_665 2_655
C2D C2A F1A C2 47(100) 18_666 2_655
C2A C2A F1A C2 -26(100) 2_655 2_655
C2D C2A F1A C2 -26(100) 17_656 2_655
C2B C2A F1A C2A -33(100) 3_665 3_665
C2 C2A F1A C2A -47(100) 2_655 3_665
C2D C2A F1A C2A -37(100) 16_556 3_665
C2C C2A F1A C2A -33(100) 17_656 3_665
C2E C2A F1A C2A -34(100) 18_666 3_665
F1 C2A F1A C2A -37(100) 16_556 3_665
C2B C2A F1A C2A 0.0(6) 2_655 3_665
C2D C2A F1A C2A 0.0(5) 18_666 3_665
C2A C2A F1A C2A -72.6(6) 2_655 3_665
C2D C2A F1A C2A -72.6(6) 17_656 3_665
C2B C2A F1A C2A 40(100) 3_665 2_655
C2 C2A F1A C2A 26(100) 2_655 2_655
C2D C2A F1A C2A 36(100) 16_556 2_655
C2C C2A F1A C2A 40(100) 17_656 2_655
C2E C2A F1A C2A 39(100) 18_666 2_655
F1 C2A F1A C2A 36(100) 16_556 2_655
C2B C2A F1A C2A 72.6(5) 2_655 2_655
C2A C2A F1A C2A 72.6(6) 3_665 2_655
C2D C2A F1A C2A 72.6(6) 18_666 2_655
C2D C2A F1A C2A 0.0(5) 17_656 2_655
C2B C2A F1A C2B 40(100) 3_665 .
C2 C2A F1A C2B 26(100) 2_655 .
C2D C2A F1A C2B 36(100) 16_556 .
C2C C2A F1A C2B 40(100) 17_656 .
C2E C2A F1A C2B 39(100) 18_666 .
F1 C2A F1A C2B 36(100) 16_556 .
C2B C2A F1A C2B 72.6(9) 2_655 .
C2A C2A F1A C2B 72.6(5) 3_665 .
C2D C2A F1A C2B 72.6(8) 18_666 .
C2A C2A F1A C2B 0.0(6) 2_655 .
C2D C2A F1A C2B 0.0(6) 17_656 .
C2B C2A F1A C2B -33(100) 3_665 2_655
C2 C2A F1A C2B -47(100) 2_655 2_655
C2D C2A F1A C2B -37(100) 16_556 2_655
C2C C2A F1A C2B -33(100) 17_656 2_655
C2E C2A F1A C2B -34(100) 18_666 2_655
F1 C2A F1A C2B -37(100) 16_556 2_655
C2A C2A F1A C2B 0.0(6) 3_665 2_655
C2D C2A F1A C2B 0.0(6) 18_666 2_655
C2A C2A F1A C2B -72.6(5) 2_655 2_655
C2D C2A F1A C2B -72.6(8) 17_656 2_655
C2 C2A F1A C2B -14(100) 2_655 3_665
C2D C2A F1A C2B -4(100) 16_556 3_665
C2C C2A F1A C2B 0(100) 17_656 3_665
C2E C2A F1A C2B -1(100) 18_666 3_665
F1 C2A F1A C2B -4(100) 16_556 3_665
C2B C2A F1A C2B 33(100) 2_655 3_665
C2A C2A F1A C2B 33(100) 3_665 3_665
C2D C2A F1A C2B 33(100) 18_666 3_665
C2A C2A F1A C2B -40(100) 2_655 3_665
C2D C2A F1A C2B -40(100) 17_656 3_665
C2B C2A F1A C2D -33(100) 3_665 18_666
C2 C2A F1A C2D -47(100) 2_655 18_666
C2D C2A F1A C2D -37(100) 16_556 18_666
C2C C2A F1A C2D -33(100) 17_656 18_666
C2E C2A F1A C2D -34(100) 18_666 18_666
F1 C2A F1A C2D -37(100) 16_556 18_666
C2B C2A F1A C2D 0.0(6) 2_655 18_666
C2A C2A F1A C2D 0.0(5) 3_665 18_666
C2A C2A F1A C2D -72.6(6) 2_655 18_666
C2D C2A F1A C2D -72.6(9) 17_656 18_666
C2B C2A F1A C2D 40(100) 3_665 17_656
C2 C2A F1A C2D 26(100) 2_655 17_656
C2D C2A F1A C2D 35(100) 16_556 17_656
C2C C2A F1A C2D 40(100) 17_656 17_656
C2E C2A F1A C2D 39(100) 18_666 17_656
F1 C2A F1A C2D 36(100) 16_556 17_656
C2B C2A F1A C2D 72.6(8) 2_655 17_656
C2A C2A F1A C2D 72.6(6) 3_665 17_656
C2D C2A F1A C2D 72.6(9) 18_666 17_656
C2A C2A F1A C2D 0.0(5) 2_655 17_656
C2A C2B F1A F1 173(100) 2_655 16_556
C2 C2B F1A F1 105(100) 3_665 16_556
C2D C2B F1A F1 3(100) 17_656 16_556
C2C C2B F1A F1 -1(100) 18_666 16_556
C2E C2B F1A F1 -1(100) 16_556 16_556
C2B C2B F1A F1 -34(100) 2_655 16_556
C2A C2B F1A F1 -34(100) 3_665 16_556
C2D C2B F1A F1 -34(100) 18_666 16_556
C2B C2B F1A F1 38(100) 3_665 16_556
C2A C2B F1A F1 38(100) . 16_556
C2A C2B F1A C2 -152(100) 2_655 .
C2 C2B F1A C2 139(100) 3_665 .
C2D C2B F1A C2 37(100) 17_656 .
C2C C2B F1A C2 34(100) 18_666 .
C2E C2B F1A C2 33(100) 16_556 .
F1 C2B F1A C2 34(100) 16_556 .
C2B C2B F1A C2 0.0(6) 2_655 .
C2A C2B F1A C2 0.0(6) 3_665 .
C2D C2B F1A C2 0.0(5) 18_666 .
C2B C2B F1A C2 72.6(5) 3_665 .
C2A C2B F1A C2 72.6(7) . .
C2A C2B F1A C2 69(100) 2_655 3_665
C2D C2B F1A C2 -102(100) 17_656 3_665
C2C C2B F1A C2 -105(100) 18_666 3_665
C2E C2B F1A C2 -106(100) 16_556 3_665
F1 C2B F1A C2 -105(100) 16_556 3_665
C2B C2B F1A C2 -139(100) 2_655 3_665
C2A C2B F1A C2 -139(100) 3_665 3_665
C2D C2B F1A C2 -139(100) 18_666 3_665
C2B C2B F1A C2 -66(100) 3_665 3_665
C2A C2B F1A C2 -66(100) . 3_665
C2A C2B F1A C2 135(100) 2_655 2_655
C2 C2B F1A C2 66(100) 3_665 2_655
C2D C2B F1A C2 -36(100) 17_656 2_655
C2C C2B F1A C2 -39(100) 18_666 2_655
C2E C2B F1A C2 -39(100) 16_556 2_655
F1 C2B F1A C2 -38(100) 16_556 2_655
C2B C2B F1A C2 -72.6(5) 2_655 2_655
C2A C2B F1A C2 -72.6(7) 3_665 2_655
C2D C2B F1A C2 -72.6(8) 18_666 2_655
C2B C2B F1A C2 0.0(6) 3_665 2_655
C2A C2B F1A C2 0.0(6) . 2_655
C2A C2B F1A C2A -152(100) 2_655 3_665
C2 C2B F1A C2A 139(100) 3_665 3_665
C2D C2B F1A C2A 37(100) 17_656 3_665
C2C C2B F1A C2A 34(100) 18_666 3_665
C2E C2B F1A C2A 33(100) 16_556 3_665
F1 C2B F1A C2A 34(100) 16_556 3_665
C2B C2B F1A C2A 0.0(6) 2_655 3_665
C2D C2B F1A C2A 0.0(5) 18_666 3_665
C2B C2B F1A C2A 72.6(5) 3_665 3_665
C2A C2B F1A C2A 72.6(9) . 3_665
C2 C2B F1A C2A -69(100) 3_665 2_655
C2D C2B F1A C2A -171(100) 17_656 2_655
C2C C2B F1A C2A -174(100) 18_666 2_655
C2E C2B F1A C2A -175(100) 16_556 2_655
F1 C2B F1A C2A -173(100) 16_556 2_655
C2B C2B F1A C2A 152(100) 2_655 2_655
C2A C2B F1A C2A 152(100) 3_665 2_655
C2D C2B F1A C2A 152(100) 18_666 2_655
C2B C2B F1A C2A -135(100) 3_665 2_655
C2A C2B F1A C2A -135(100) . 2_655
C2A C2B F1A C2A 135(100) 2_655 .
C2 C2B F1A C2A 66(100) 3_665 .
C2D C2B F1A C2A -36(100) 17_656 .
C2C C2B F1A C2A -39(100) 18_666 .
C2E C2B F1A C2A -39(100) 16_556 .
F1 C2B F1A C2A -38(100) 16_556 .
C2B C2B F1A C2A -72.6(5) 2_655 .
C2A C2B F1A C2A -72.6(9) 3_665 .
C2D C2B F1A C2A -72.6(8) 18_666 .
C2B C2B F1A C2A 0.0(6) 3_665 .
C2A C2B F1A C2B -152(100) 2_655 2_655
C2 C2B F1A C2B 139(100) 3_665 2_655
C2D C2B F1A C2B 37(100) 17_656 2_655
C2C C2B F1A C2B 34(100) 18_666 2_655
C2E C2B F1A C2B 33(100) 16_556 2_655
F1 C2B F1A C2B 34(100) 16_556 2_655
C2A C2B F1A C2B 0.0(6) 3_665 2_655
C2D C2B F1A C2B 0.0(6) 18_666 2_655
C2B C2B F1A C2B 72.6(6) 3_665 2_655
C2A C2B F1A C2B 72.6(5) . 2_655
C2A C2B F1A C2B 135(100) 2_655 3_665
C2 C2B F1A C2B 66(100) 3_665 3_665
C2D C2B F1A C2B -36(100) 17_656 3_665
C2C C2B F1A C2B -39(100) 18_666 3_665
C2E C2B F1A C2B -39(100) 16_556 3_665
F1 C2B F1A C2B -38(100) 16_556 3_665
C2B C2B F1A C2B -72.6(6) 2_655 3_665
C2A C2B F1A C2B -72.6(5) 3_665 3_665
C2D C2B F1A C2B -72.6(6) 18_666 3_665
C2A C2B F1A C2B 0.0(6) . 3_665
C2A C2B F1A C2D -152(100) 2_655 18_666
C2 C2B F1A C2D 139(100) 3_665 18_666
C2D C2B F1A C2D 37(100) 17_656 18_666
C2C C2B F1A C2D 34(100) 18_666 18_666
C2E C2B F1A C2D 33(100) 16_556 18_666
F1 C2B F1A C2D 34(100) 16_556 18_666
C2B C2B F1A C2D 0.0(6) 2_655 18_666
C2A C2B F1A C2D 0.0(5) 3_665 18_666
C2B C2B F1A C2D 72.6(6) 3_665 18_666
C2A C2B F1A C2D 72.6(8) . 18_666
C2A C2B F1A C2D 171(100) 2_655 17_656
C2 C2B F1A C2D 102(100) 3_665 17_656
C2C C2B F1A C2D -3(100) 18_666 17_656
C2E C2B F1A C2D -4(100) 16_556 17_656
F1 C2B F1A C2D -3(100) 16_556 17_656
C2B C2B F1A C2D -37(100) 2_655 17_656
C2A C2B F1A C2D -37(100) 3_665 17_656
C2D C2B F1A C2D -37(100) 18_666 17_656
C2B C2B F1A C2D 36(100) 3_665 17_656
C2A C2B F1A C2D 36(100) . 17_656
