#------------------------------------------------------------------------------
#$Date: 2019-12-14 01:37:31 +0200 (Sat, 14 Dec 2019) $
#$Revision: 245095 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/00/34/4003445.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_4003445
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 Cl N4 S3'
_chemical_formula_weight         437.32
_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                   9.7644(14)
_cell_length_b                   9.7644(14)
_cell_length_c                   10.8126(15)
_cell_measurement_reflns_used    173
_cell_measurement_temperature    360(2)
_cell_measurement_theta_max      30.14
_cell_measurement_theta_min      3.06
_cell_volume                     892.8(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      360(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_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  0.0359
_diffrn_reflns_av_sigmaI/netI    0.0258
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            3905
_diffrn_reflns_theta_full        30.14
_diffrn_reflns_theta_max         30.14
_diffrn_reflns_theta_min         3.06
_exptl_absorpt_coefficient_mu    1.713
_exptl_absorpt_correction_T_max  0.717
_exptl_absorpt_correction_T_min  0.710
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       columnar
_exptl_crystal_F_000             402
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.939
_refine_diff_density_min         -1.269
_refine_diff_density_rms         0.191
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.519
_refine_ls_matrix_type           full
_refine_ls_number_parameters     75
_refine_ls_number_reflns         476
_refine_ls_number_restraints     228
_refine_ls_restrained_S_all      1.173
_refine_ls_R_factor_all          0.2315
_refine_ls_R_factor_gt           0.1876
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+3.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3751
_refine_ls_wR_factor_ref         0.3811
_reflns_number_gt                173
_reflns_number_total             476
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cm9b04232_si_007.cif
_cod_data_source_block           Cl_360K
_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        892.8(3)
_cod_database_code               4003445
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 0.2022(10) Uani 1 12 d SDU
S1 S 0.8543(2) 0.7085(4) 0.1274(3) 0.227(2) Uani 0.50 2 d SPDU
C1 C 0.8876(6) 0.7752(11) 0.2500 0.2795(11) Uani 1 4 d SDU
N1 N 0.9058(3) 0.8117(6) 0.1313(5) 0.238(4) Uani 0.50 2 d SPDU
C3 C 0.6667 0.3333 0.1085(6) 0.289(4) Uani 0.50 6 d SPDU
C2 C 0.7180(5) 0.2820(5) -0.0054(11) 0.2831(17) Uani 0.07 2 d SPDU
N2 N 0.6667 0.3333 0.2500 0.2795(11) Uani 1 12 d SDU
C2A C 0.7180(5) 0.4360(10) -0.0054(11) 0.285(3) Uani 0.07 2 d SPDU
C2B C 0.5640(10) 0.2820(5) -0.0054(11) 0.282(3) Uani 0.07 2 d SPDU
C3A C 0.6667 0.3333 0.3915(6) 0.299(2) Uani 0.50 6 d SPDU
C2C C 0.7180(5) 0.2820(5) 0.5054(11) 0.2888(17) Uani 0.07 2 d SPDU
C2D C 0.7180(5) 0.4360(10) 0.5055(11) 0.291(3) Uani 0.07 2 d SPDU
C2E C 0.5640(10) 0.2820(5) 0.5054(11) 0.288(3) Uani 0.07 2 d SPDU
C4 C 0.8472(13) 0.4236(7) 0.2500 0.300(4) Uani 0.33 4 d SPDU
C5 C 0.5764(7) 0.4236(7) 0.2500 0.296(3) Uani 0.33 4 d SPDU
C6 C 0.5772(7) 0.1545(14) 0.2500 0.316(4) Uani 0.16 4 d SPDU
Cl1 Cl 0.6667 0.3333 0.6442(11) 0.2795(11) Uani 0.25 6 d SPDU
Cl1A Cl 0.6667 0.3333 -0.1441(11) 0.2795(11) 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'
Cl Cl 0.1484 0.1585 '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 80.6(2) 2_765 3_675
N1 Cd1 N1 180.0 2_765 14_565
N1 Cd1 N1 99.4(2) 3_675 14_565
N1 Cd1 N1 80.6(2) 2_765 .
N1 Cd1 N1 80.6(2) 3_675 .
N1 Cd1 N1 99.4(2) 14_565 .
N1 Cd1 N1 99.4(2) 2_765 13_775
N1 Cd1 N1 99.4(2) 3_675 13_775
N1 Cd1 N1 80.6(2) 14_565 13_775
N1 Cd1 N1 180.0 . 13_775
N1 Cd1 N1 99.4(2) 2_765 15_655
N1 Cd1 N1 180.0 3_675 15_655
N1 Cd1 N1 80.6(2) 14_565 15_655
N1 Cd1 N1 99.4(2) . 15_655
N1 Cd1 N1 80.6(2) 13_775 15_655
N1 Cd1 S1 12.51(17) 2_765 2_765
N1 Cd1 S1 90.07(12) 3_675 2_765
N1 Cd1 S1 167.48(17) 14_565 2_765
N1 Cd1 S1 90.07(12) . 2_765
N1 Cd1 S1 89.93(12) 13_775 2_765
N1 Cd1 S1 89.93(12) 15_655 2_765
N1 Cd1 S1 90.07(12) 2_765 3_675
N1 Cd1 S1 12.51(17) 3_675 3_675
N1 Cd1 S1 89.93(12) 14_565 3_675
N1 Cd1 S1 90.07(12) . 3_675
N1 Cd1 S1 89.93(12) 13_775 3_675
N1 Cd1 S1 167.49(17) 15_655 3_675
S1 Cd1 S1 98.23(9) 2_765 3_675
N1 Cd1 S1 90.07(12) 2_765 .
N1 Cd1 S1 90.07(12) 3_675 .
N1 Cd1 S1 89.93(12) 14_565 .
N1 Cd1 S1 12.51(17) . .
N1 Cd1 S1 167.48(17) 13_775 .
N1 Cd1 S1 89.93(12) 15_655 .
S1 Cd1 S1 98.23(9) 2_765 .
S1 Cd1 S1 98.23(9) 3_675 .
N1 Cd1 S1 89.93(12) 2_765 15_655
N1 Cd1 S1 167.49(17) 3_675 15_655
N1 Cd1 S1 90.07(12) 14_565 15_655
N1 Cd1 S1 89.93(12) . 15_655
N1 Cd1 S1 90.07(12) 13_775 15_655
N1 Cd1 S1 12.51(17) 15_655 15_655
S1 Cd1 S1 81.77(9) 2_765 15_655
S1 Cd1 S1 180.0 3_675 15_655
S1 Cd1 S1 81.77(9) . 15_655
N1 Cd1 S1 167.49(17) 2_765 14_565
N1 Cd1 S1 89.93(12) 3_675 14_565
N1 Cd1 S1 12.52(17) 14_565 14_565
N1 Cd1 S1 89.93(12) . 14_565
N1 Cd1 S1 90.07(12) 13_775 14_565
N1 Cd1 S1 90.07(12) 15_655 14_565
S1 Cd1 S1 180.0 2_765 14_565
S1 Cd1 S1 81.77(9) 3_675 14_565
S1 Cd1 S1 81.77(9) . 14_565
S1 Cd1 S1 98.23(9) 15_655 14_565
N1 Cd1 S1 89.93(12) 2_765 13_775
N1 Cd1 S1 89.93(12) 3_675 13_775
N1 Cd1 S1 90.07(12) 14_565 13_775
N1 Cd1 S1 167.49(17) . 13_775
N1 Cd1 S1 12.51(17) 13_775 13_775
N1 Cd1 S1 90.07(12) 15_655 13_775
S1 Cd1 S1 81.77(9) 2_765 13_775
S1 Cd1 S1 81.77(9) 3_675 13_775
S1 Cd1 S1 180.0 . 13_775
S1 Cd1 S1 98.23(9) 15_655 13_775
S1 Cd1 S1 98.23(9) 14_565 13_775
N1 S1 C1 64.2(5) . .
N1 S1 Cd1 32.0(4) . .
C1 S1 Cd1 96.2(4) . .
N1 C1 N1 153.0(9) 16_556 .
N1 C1 S1 36.5(3) 16_556 16_556
N1 C1 S1 170.5(8) . 16_556
N1 C1 S1 170.5(8) 16_556 .
N1 C1 S1 36.5(3) . .
S1 C1 S1 134.0(8) 16_556 .
S1 N1 C1 79.2(6) . .
S1 N1 Cd1 135.5(6) . .
C1 N1 Cd1 145.2(6) . .
C3A C3 C2E 34(10) 16_556 17_656
C3A C3 C2E 31(10) 16_556 16_556
C2E C3 C2E 59.8(7) 17_656 16_556
C3A C3 C2E 41(10) 16_556 18_666
C2E C3 C2E 59.8(7) 17_656 18_666
C2E C3 C2E 59.8(7) 16_556 18_666
C3A C3 C2D 34(10) 16_556 18_666
C2E C3 C2D 0.0(6) 17_656 18_666
C2E C3 C2D 59.8(5) 16_556 18_666
C2E C3 C2D 59.8(5) 18_666 18_666
C3A C3 C2D 31(10) 16_556 17_656
C2E C3 C2D 59.8(5) 17_656 17_656
C2E C3 C2D 0.0(8) 16_556 17_656
C2E C3 C2D 59.8(5) 18_666 17_656
C2D C3 C2D 59.8(7) 18_666 17_656
C3A C3 C2D 41(10) 16_556 16_556
C2E C3 C2D 59.8(5) 17_656 16_556
C2E C3 C2D 59.8(5) 16_556 16_556
C2E C3 C2D 0.0(8) 18_666 16_556
C2D C3 C2D 59.8(7) 18_666 16_556
C2D C3 C2D 59.8(7) 17_656 16_556
C3A C3 C2C 31(10) 16_556 18_666
C2E C3 C2C 59.8(5) 17_656 18_666
C2E C3 C2C 0.0(8) 16_556 18_666
C2E C3 C2C 59.8(5) 18_666 18_666
C2D C3 C2C 59.8(5) 18_666 18_666
C2D C3 C2C 0.0(8) 17_656 18_666
C2D C3 C2C 59.8(5) 16_556 18_666
C3A C3 C2C 41(10) 16_556 17_656
C2E C3 C2C 59.8(5) 17_656 17_656
C2E C3 C2C 59.8(5) 16_556 17_656
C2E C3 C2C 0.0(4) 18_666 17_656
C2D C3 C2C 59.8(5) 18_666 17_656
C2D C3 C2C 59.8(5) 17_656 17_656
C2D C3 C2C 0.0(8) 16_556 17_656
C2C C3 C2C 59.8(7) 18_666 17_656
C3A C3 C2C 34(10) 16_556 16_556
C2E C3 C2C 0.0(6) 17_656 16_556
C2E C3 C2C 59.8(5) 16_556 16_556
C2E C3 C2C 59.8(5) 18_666 16_556
C2D C3 C2C 0.0(6) 18_666 16_556
C2D C3 C2C 59.8(5) 17_656 16_556
C2D C3 C2C 59.8(5) 16_556 16_556
C2C C3 C2C 59.8(7) 18_666 16_556
C2C C3 C2C 59.8(7) 17_656 16_556
C3A C3 C2B 34(10) 16_556 2_655
C2E C3 C2B 0.0(6) 17_656 2_655
C2E C3 C2B 59.9(5) 16_556 2_655
C2E C3 C2B 59.9(5) 18_666 2_655
C2D C3 C2B 0.0(6) 18_666 2_655
C2D C3 C2B 59.9(5) 17_656 2_655
C2D C3 C2B 59.9(5) 16_556 2_655
C2C C3 C2B 59.9(5) 18_666 2_655
C2C C3 C2B 59.9(5) 17_656 2_655
C2C C3 C2B 0.0(6) 16_556 2_655
C3A C3 C2B 41(10) 16_556 3_665
C2E C3 C2B 59.9(5) 17_656 3_665
C2E C3 C2B 59.9(5) 16_556 3_665
C2E C3 C2B 0.0(4) 18_666 3_665
C2D C3 C2B 59.9(5) 18_666 3_665
C2D C3 C2B 59.9(5) 17_656 3_665
C2D C3 C2B 0.0(7) 16_556 3_665
C2C C3 C2B 59.9(5) 18_666 3_665
C2C C3 C2B 0.0(4) 17_656 3_665
C2C C3 C2B 59.9(5) 16_556 3_665
C2B C3 C2B 59.9(7) 2_655 3_665
C2A C2 C2B 87(10) 3_665 2_655
C2A C2 C2C 18(10) 3_665 16_556
C2B C2 C2C 104(10) 2_655 16_556
C2A C2 C2D 13(10) 3_665 18_666
C2B C2 C2D 99(10) 2_655 18_666
C2C C2 C2D 5(10) 16_556 18_666
C2A C2 C2E 16(10) 3_665 17_656
C2B C2 C2E 103(10) 2_655 17_656
C2C C2 C2E 3(10) 16_556 17_656
C2D C2 C2E 4(10) 18_666 17_656
C2A C2 Cl1 5(10) 3_665 16_556
C2B C2 Cl1 86(10) 2_655 16_556
C2A C2 Cl1A 5(10) 3_665 .
C2B C2 Cl1A 86(10) 2_655 .
Cl1 C2 Cl1A 0.0(3) 16_556 .
C2A C2 C3 117(10) 3_665 .
C2B C2 C3 36(10) 2_655 .
Cl1 C2 C3 114.8(6) 16_556 .
Cl1A C2 C3 114.7(6) . .
C2A C2 C3A 117(10) 3_665 16_556
C2B C2 C3A 36(10) 2_655 16_556
Cl1 C2 C3A 114.8(6) 16_556 16_556
Cl1A C2 C3A 114.7(6) . 16_556
C3 C2 C3A 0.0(2) . 16_556
C2A C2 C2B 69(10) 3_665 .
C2B C2 C2B 58(10) 2_655 .
Cl1 C2 C2B 64.3(6) 16_556 .
Cl1A C2 C2B 64.3(6) . .
C3 C2 C2B 60.1(6) . .
C3A C2 C2B 60.1(6) 16_556 .
C2A C2 C2A 69(10) 3_665 2_655
C2B C2 C2A 58(10) 2_655 2_655
Cl1 C2 C2A 64.3(6) 16_556 2_655
Cl1A C2 C2A 64.3(6) . 2_655
C3 C2 C2A 60.1(6) . 2_655
C3A C2 C2A 60.1(6) 16_556 2_655
C2B C2 C2A 0.0(7) . 2_655
C2A C2 C2D 69(10) 3_665 17_656
C2B C2 C2D 58(10) 2_655 17_656
Cl1 C2 C2D 64.3(6) 16_556 17_656
Cl1A C2 C2D 64.3(6) . 17_656
C3 C2 C2D 60.1(6) . 17_656
C3A C2 C2D 60.1(6) 16_556 17_656
C2B C2 C2D 0.0(7) . 17_656
C2A C2 C2D 0.0(7) 2_655 17_656
C3A N2 C3A 179.999(1) 16_556 .
C3A N2 C3 0.0 16_556 .
C3A N2 C3 180.000(2) . .
C3A N2 C3 179.998(1) 16_556 16_556
C3A N2 C3 0.001(1) . 16_556
C3 N2 C3 179.999(1) . 16_556
C6 N2 C6 120.0 . 2_655
C6 N2 C6 120.0 . 3_665
C6 N2 C6 119.999(1) 2_655 3_665
C6 N2 C5 120.000(1) . 3_665
C6 N2 C5 0.0 2_655 3_665
C6 N2 C5 119.999(1) 3_665 3_665
C6 N2 C5 120.0 . .
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 120.0 2_655 2_655
C6 N2 C5 120.002(1) 3_665 2_655
C5 N2 C5 120.0 3_665 2_655
C5 N2 C5 120.001(1) . 2_655
C6 N2 C4 120.0 . .
C6 N2 C4 0.001(2) 2_655 .
C6 N2 C4 120.000(2) 3_665 .
C5 N2 C4 0.001(2) 3_665 .
C5 N2 C4 120.000(2) . .
C5 N2 C4 120.0 2_655 .
C6 N2 C4 0.0(5) . 3_665
C6 N2 C4 120.0 2_655 3_665
C6 N2 C4 120.001(1) 3_665 3_665
C5 N2 C4 120.0 3_665 3_665
C5 N2 C4 120.000(1) . 3_665
C5 N2 C4 0.0 2_655 3_665
C4 N2 C4 120.000(1) . 3_665
C2B C2A C2 5(10) 3_665 2_655
C2B C2A C2D 164(10) 3_665 16_556
C2 C2A C2D 159(10) 2_655 16_556
C2B C2A C2C 163(10) 3_665 17_656
C2 C2A C2C 158(10) 2_655 17_656
C2D C2A C2C 4(10) 16_556 17_656
C2B C2A C2E 160(10) 3_665 18_666
C2 C2A C2E 155(10) 2_655 18_666
C2D C2A C2E 5(10) 16_556 18_666
C2C C2A C2E 3(10) 17_656 18_666
C2B C2A Cl1 178(10) 3_665 16_556
C2 C2A Cl1 177(10) 2_655 16_556
C2B C2A Cl1A 178(10) 3_665 .
C2 C2A Cl1A 177(10) 2_655 .
Cl1 C2A Cl1A 0.0(3) 16_556 .
C2B C2A C3 63(10) 3_665 .
C2 C2A C3 68(10) 2_655 .
Cl1 C2A C3 114.8(6) 16_556 .
Cl1A C2A C3 114.7(6) . .
C2B C2A C3A 63(10) 3_665 16_556
C2 C2A C3A 68(10) 2_655 16_556
Cl1 C2A C3A 114.8(6) 16_556 16_556
Cl1A C2A C3A 114.7(6) . 16_556
C3 C2A C3A 0.0(2) . 16_556
C2B C2A C2A 114(10) 3_665 3_665
C2 C2A C2A 119(10) 2_655 3_665
Cl1 C2A C2A 64.3(3) 16_556 3_665
Cl1A C2A C2A 64.3(3) . 3_665
C3 C2A C2A 60.1(3) . 3_665
C3A C2A C2A 60.1(3) 16_556 3_665
C2B C2A C2B 114(10) 3_665 2_655
C2 C2A C2B 119(10) 2_655 2_655
Cl1 C2A C2B 64.3(6) 16_556 2_655
Cl1A C2A C2B 64.3(6) . 2_655
C3 C2A C2B 60.1(6) . 2_655
C3A C2A C2B 60.1(6) 16_556 2_655
C2A C2A C2B 0.0(7) 3_665 2_655
C2B C2A C2D 114(10) 3_665 18_666
C2 C2A C2D 119(10) 2_655 18_666
Cl1 C2A C2D 64.3(6) 16_556 18_666
Cl1A C2A C2D 64.3(6) . 18_666
C3 C2A C2D 60.1(6) . 18_666
C3A C2A C2D 60.1(6) 16_556 18_666
C2A C2A C2D 0.0(7) 3_665 18_666
C2B C2A C2D 0.0(7) 2_655 18_666
C2A C2B C2 152(10) 2_655 3_665
C2A C2B C2D 11(10) 2_655 17_656
C2 C2B C2D 147(10) 3_665 17_656
C2A C2B C2E 14(10) 2_655 16_556
C2 C2B C2E 146(10) 3_665 16_556
C2D C2B C2E 4(10) 17_656 16_556
C2A C2B C2C 12(10) 2_655 18_666
C2 C2B C2C 148(10) 3_665 18_666
C2D C2B C2C 3(10) 17_656 18_666
C2E C2B C2C 3(10) 16_556 18_666
C2A C2B Cl1 6(10) 2_655 16_556
C2 C2B Cl1 158(10) 3_665 16_556
C2A C2B Cl1A 6(10) 2_655 .
C2 C2B Cl1A 158(10) 3_665 .
Cl1 C2B Cl1A 0.0(3) 16_556 .
C2A C2B C3 119(10) 2_655 .
C2 C2B C3 78(10) 3_665 .
Cl1 C2B C3 114.8(6) 16_556 .
Cl1A C2B C3 114.7(6) . .
C2A C2B C3A 119(10) 2_655 16_556
C2 C2B C3A 78(10) 3_665 16_556
Cl1 C2B C3A 114.8(6) 16_556 16_556
Cl1A C2B C3A 114.7(6) . 16_556
C3 C2B C3A 0.0(2) . 16_556
C2A C2B C2B 70(10) 2_655 2_655
C2 C2B C2B 135(10) 3_665 2_655
Cl1 C2B C2B 64.3(3) 16_556 2_655
Cl1A C2B C2B 64.3(3) . 2_655
C3 C2B C2B 60.1(3) . 2_655
C3A C2B C2B 60.1(3) 16_556 2_655
C2A C2B C2A 70(10) 2_655 3_665
C2 C2B C2A 135(10) 3_665 3_665
Cl1 C2B C2A 64.3(6) 16_556 3_665
Cl1A C2B C2A 64.3(6) . 3_665
C3 C2B C2A 60.1(6) . 3_665
C3A C2B C2A 60.1(6) 16_556 3_665
C2B C2B C2A 0.0(7) 2_655 3_665
C2A C2B C2D 70(10) 2_655 18_666
C2 C2B C2D 135(10) 3_665 18_666
Cl1 C2B C2D 64.3(6) 16_556 18_666
Cl1A C2B C2D 64.3(6) . 18_666
C3 C2B C2D 60.1(6) . 18_666
C3A C2B C2D 60.1(6) 16_556 18_666
C2B C2B C2D 0.0(7) 2_655 18_666
C2A C2B C2D 0.0(7) 3_665 18_666
C3 C3A C2E 143(10) 16_556 2_655
C3 C3A C2E 150(10) 16_556 3_665
C2E C3A C2E 59.9(7) 2_655 3_665
C3 C3A C2D 143(10) 16_556 3_665
C2E C3A C2D 0.0(6) 2_655 3_665
C2E C3A C2D 59.9(5) 3_665 3_665
C3 C3A C2E 141(10) 16_556 .
C2E C3A C2E 59.9(7) 2_655 .
C2E C3A C2E 59.9(7) 3_665 .
C2D C3A C2E 59.9(5) 3_665 .
C3 C3A C2D 141(10) 16_556 2_655
C2E C3A C2D 59.9(5) 2_655 2_655
C2E C3A C2D 59.9(5) 3_665 2_655
C2D C3A C2D 59.8(7) 3_665 2_655
C2E C3A C2D 0.0(8) . 2_655
C3 C3A C2D 150(10) 16_556 .
C2E C3A C2D 59.9(5) 2_655 .
C2E C3A C2D 0.0(8) 3_665 .
C2D C3A C2D 59.8(7) 3_665 .
C2E C3A C2D 59.9(5) . .
C2D C3A C2D 59.8(7) 2_655 .
C3 C3A N2 5(10) 16_556 .
C2E C3A N2 144.8(4) 2_655 .
C2E C3A N2 144.8(4) 3_665 .
C2D C3A N2 144.8(4) 3_665 .
C2E C3A N2 144.8(4) . .
C2D C3A N2 144.8(4) 2_655 .
C2D C3A N2 144.8(4) . .
C3 C3A C2C 143(10) 16_556 .
C2E C3A C2C 0.0(6) 2_655 .
C2E C3A C2C 59.9(5) 3_665 .
C2D C3A C2C 0.0(6) 3_665 .
C2E C3A C2C 59.9(5) . .
C2D C3A C2C 59.9(5) 2_655 .
C2D C3A C2C 59.9(5) . .
N2 C3A C2C 144.8(4) . .
C3 C3A C2C 141(10) 16_556 3_665
C2E C3A C2C 59.9(5) 2_655 3_665
C2E C3A C2C 59.9(5) 3_665 3_665
C2D C3A C2C 59.8(5) 3_665 3_665
C2E C3A C2C 0.0(4) . 3_665
C2D C3A C2C 0.0(8) 2_655 3_665
C2D C3A C2C 59.9(5) . 3_665
N2 C3A C2C 144.8(4) . 3_665
C2C C3A C2C 59.9(7) . 3_665
C3 C3A C2C 150(10) 16_556 2_655
C2E C3A C2C 59.9(5) 2_655 2_655
C2E C3A C2C 0.0(7) 3_665 2_655
C2D C3A C2C 59.8(5) 3_665 2_655
C2E C3A C2C 59.9(5) . 2_655
C2D C3A C2C 59.9(5) 2_655 2_655
C2D C3A C2C 0.0(8) . 2_655
N2 C3A C2C 144.8(4) . 2_655
C2C C3A C2C 59.9(7) . 2_655
C2C C3A C2C 59.9(7) 3_665 2_655
C3 C3A C2B 143(10) 16_556 17_656
C2E C3A C2B 0.0(6) 2_655 17_656
C2E C3A C2B 59.9(5) 3_665 17_656
C2D C3A C2B 0.0(6) 3_665 17_656
C2E C3A C2B 59.9(5) . 17_656
C2D C3A C2B 59.9(5) 2_655 17_656
C2D C3A C2B 59.9(5) . 17_656
N2 C3A C2B 144.8(4) . 17_656
C2C C3A C2B 0.0(6) . 17_656
C2C C3A C2B 59.9(5) 3_665 17_656
C2C C3A C2B 59.9(5) 2_655 17_656
C2E C2C C2D 140(10) 2_655 3_665
C2E C2C C2B 33(10) 2_655 17_656
C2E C2C C2A 33(10) 2_655 18_666
C2B C2C C2A 5(10) 17_656 18_666
C2E C2C C2 33(10) 2_655 16_556
C2B C2C C2 1(10) 17_656 16_556
C2A C2C C2 4(10) 18_666 16_556
C2E C2C Cl1 138(10) 2_655 .
C2B C2C Cl1 163(10) 17_656 .
C2A C2C Cl1 158(10) 18_666 .
C2 C2C Cl1 163(10) 16_556 .
C2E C2C Cl1A 138(10) 2_655 16_556
C2B C2C Cl1A 163(10) 17_656 16_556
C2A C2C Cl1A 158(10) 18_666 16_556
C2 C2C Cl1A 162(10) 16_556 16_556
Cl1 C2C Cl1A 0.0(3) . 16_556
C2E C2C C3 44(10) 2_655 16_556
C2B C2C C3 48(10) 17_656 16_556
C2A C2C C3 43(10) 18_666 16_556
C2 C2C C3 48(10) 16_556 16_556
Cl1 C2C C3 114.8(6) . 16_556
Cl1A C2C C3 114.8(6) 16_556 16_556
C2E C2C C3A 44(10) 2_655 .
C2B C2C C3A 48(10) 17_656 .
C2A C2C C3A 43(10) 18_666 .
C2 C2C C3A 48(10) 16_556 .
Cl1 C2C C3A 114.8(6) . .
Cl1A C2C C3A 114.8(6) 16_556 .
C3 C2C C3A 0.0(2) 16_556 .
C2E C2C C2D 75(10) 2_655 2_655
C2B C2C C2D 101(10) 17_656 2_655
C2A C2C C2D 98(10) 18_666 2_655
C2 C2C C2D 101(10) 16_556 2_655
Cl1 C2C C2D 64.3(6) . 2_655
Cl1A C2C C2D 64.3(6) 16_556 2_655
C3 C2C C2D 60.1(6) 16_556 2_655
C3A C2C C2D 60.1(6) . 2_655
C2E C2C C2B 75(10) 2_655 16_556
C2B C2C C2B 101(10) 17_656 16_556
C2A C2C C2B 98(10) 18_666 16_556
C2 C2C C2B 101(10) 16_556 16_556
Cl1 C2C C2B 64.3(6) . 16_556
Cl1A C2C C2B 64.3(6) 16_556 16_556
C3 C2C C2B 60.1(6) 16_556 16_556
C3A C2C C2B 60.0(6) . 16_556
C2E C2C C2A 75(10) 2_655 17_656
C2B C2C C2A 101(10) 17_656 17_656
C2A C2C C2A 98(10) 18_666 17_656
C2 C2C C2A 101(10) 16_556 17_656
Cl1 C2C C2A 64.3(6) . 17_656
Cl1A C2C C2A 64.3(6) 16_556 17_656
C3 C2C C2A 60.1(6) 16_556 17_656
C3A C2C C2A 60.1(6) . 17_656
C2B C2C C2A 0.0(7) 16_556 17_656
C2E C2D C2C 12(10) 3_665 2_655
C2E C2D C2B 12(10) 3_665 18_666
C2C C2D C2B 22(10) 2_655 18_666
C2E C2D C2A 15(10) 3_665 16_556
C2C C2D C2A 24(10) 2_655 16_556
C2B C2D C2A 4(10) 18_666 16_556
C2E C2D C2 13(10) 3_665 17_656
C2C C2D C2 23(10) 2_655 17_656
C2B C2D C2 1(10) 18_666 17_656
C2A C2D C2 3(10) 16_556 17_656
Cl1 C2D Cl1A 0.0(3) . 16_556
Cl1 C2D C3 114.8(6) . 16_556
Cl1A C2D C3 114.8(6) 16_556 16_556
Cl1 C2D C3A 114.8(6) . .
Cl1A C2D C3A 114.8(6) 16_556 .
C3 C2D C3A 0.0(2) 16_556 .
Cl1 C2D C2D 64.3(3) . 3_665
Cl1A C2D C2D 64.3(3) 16_556 3_665
Cl1 C2D C2B 64.3(6) . 17_656
Cl1A C2D C2B 64.3(6) 16_556 17_656
C3 C2D C2B 60.1(6) 16_556 17_656
C3A C2D C2B 60.0(6) . 17_656
C2D C2D C2B 0.0(7) 3_665 17_656
Cl1 C2D C2A 64.3(6) . 18_666
Cl1A C2D C2A 64.3(6) 16_556 18_666
C3 C2D C2A 60.1(6) 16_556 18_666
C3A C2D C2A 60.1(6) . 18_666
C2D C2D C2A 0.0(7) 3_665 18_666
C2B C2D C2A 0.0(7) 17_656 18_666
C2D C2E C2C 30(10) 2_655 3_665
C2D C2E C2B 161(10) 2_655 16_556
C2C C2E C2B 146(10) 3_665 16_556
C2D C2E C2A 157(10) 2_655 17_656
C2C C2E C2A 142(10) 3_665 17_656
C2B C2E C2A 5(10) 16_556 17_656
C2D C2E C2 161(10) 2_655 18_666
C2C C2E C2 145(10) 3_665 18_666
C2B C2E C2 1(10) 16_556 18_666
C2A C2E C2 4(10) 17_656 18_666
C2C C2E Cl1 27(10) 3_665 .
C2B C2E Cl1 163(10) 16_556 .
C2A C2E Cl1 158(10) 17_656 .
C2 C2E Cl1 163(10) 18_666 .
C2C C2E Cl1A 27(10) 3_665 16_556
C2B C2E Cl1A 163(10) 16_556 16_556
C2A C2E Cl1A 158(10) 17_656 16_556
C2 C2E Cl1A 163(10) 18_666 16_556
Cl1 C2E Cl1A 0.0(3) . 16_556
C2C C2E C3 106(10) 3_665 16_556
C2B C2E C3 48(10) 16_556 16_556
C2A C2E C3 44(10) 17_656 16_556
C2 C2E C3 48(10) 18_666 16_556
Cl1 C2E C3 114.8(6) . 16_556
Cl1A C2E C3 114.8(6) 16_556 16_556
C2C C2E C3A 106(10) 3_665 .
C2B C2E C3A 48(10) 16_556 .
C2A C2E C3A 44(10) 17_656 .
C2 C2E C3A 48(10) 18_666 .
Cl1 C2E C3A 114.8(6) . .
Cl1A C2E C3A 114.8(6) 16_556 .
C3 C2E C3A 0.0(2) 16_556 .
C2C C2E C2D 46(10) 3_665 3_665
C2B C2E C2D 102(10) 16_556 3_665
C2A C2E C2D 98(10) 17_656 3_665
C2 C2E C2D 101(10) 18_666 3_665
Cl1 C2E C2D 64.3(6) . 3_665
Cl1A C2E C2D 64.3(6) 16_556 3_665
C3 C2E C2D 60.1(6) 16_556 3_665
C3A C2E C2D 60.1(6) . 3_665
C2C C2E C2B 46(10) 3_665 17_656
C2B C2E C2B 102(10) 16_556 17_656
C2A C2E C2B 98(10) 17_656 17_656
C2 C2E C2B 101(10) 18_666 17_656
Cl1 C2E C2B 64.3(6) . 17_656
Cl1A C2E C2B 64.3(6) 16_556 17_656
C3 C2E C2B 60.1(6) 16_556 17_656
C3A C2E C2B 60.0(6) . 17_656
C2C C2E C2A 46(10) 3_665 18_666
C2B C2E C2A 102(10) 16_556 18_666
C2A C2E C2A 98(10) 17_656 18_666
C2 C2E C2A 101(10) 18_666 18_666
Cl1 C2E C2A 64.3(6) . 18_666
Cl1A C2E C2A 64.3(6) 16_556 18_666
C3 C2E C2A 60.1(6) 16_556 18_666
C3A C2E C2A 60.1(6) . 18_666
C2D C2E C2A 0.0(7) 3_665 18_666
C2B C2E C2A 0.0(7) 17_656 18_666
C5 C6 C4 0(10) 2_655 3_665
C2 Cl1 C2 51.4(6) 16_556 18_666
C2 Cl1 C2A 0.0(4) 16_556 18_666
C2 Cl1 C2A 51.4(5) 18_666 18_666
C2 Cl1 C2A 51.4(5) 16_556 17_656
C2 Cl1 C2A 0.0(7) 18_666 17_656
C2A Cl1 C2A 51.4(6) 18_666 17_656
C2 Cl1 C2 51.4(6) 16_556 17_656
C2 Cl1 C2 51.4(6) 18_666 17_656
C2A Cl1 C2 51.4(5) 18_666 17_656
C2A Cl1 C2 51.4(5) 17_656 17_656
C2 Cl1 C2A 51.4(5) 16_556 16_556
C2 Cl1 C2A 51.4(5) 18_666 16_556
C2A Cl1 C2A 51.4(6) 18_666 16_556
C2A Cl1 C2A 51.4(6) 17_656 16_556
C2 Cl1 C2A 0.0(3) 17_656 16_556
C2 Cl1 C2B 0.0(5) 16_556 17_656
C2 Cl1 C2B 51.4(5) 18_666 17_656
C2A Cl1 C2B 0.0(5) 18_666 17_656
C2A Cl1 C2B 51.4(5) 17_656 17_656
C2 Cl1 C2B 51.4(5) 17_656 17_656
C2A Cl1 C2B 51.4(5) 16_556 17_656
C2 Cl1 C2B 51.4(5) 16_556 16_556
C2 Cl1 C2B 0.0(3) 18_666 16_556
C2A Cl1 C2B 51.4(5) 18_666 16_556
C2A Cl1 C2B 0.0(3) 17_656 16_556
C2 Cl1 C2B 51.4(5) 17_656 16_556
C2A Cl1 C2B 51.4(5) 16_556 16_556
C2B Cl1 C2B 51.4(6) 17_656 16_556
C2 Cl1 C2B 51.4(5) 16_556 18_666
C2 Cl1 C2B 51.4(5) 18_666 18_666
C2A Cl1 C2B 51.4(5) 18_666 18_666
C2A Cl1 C2B 51.4(5) 17_656 18_666
C2 Cl1 C2B 0.0(5) 17_656 18_666
C2A Cl1 C2B 0.0(7) 16_556 18_666
C2B Cl1 C2B 51.4(6) 17_656 18_666
C2B Cl1 C2B 51.4(6) 16_556 18_666
Cl1A Cl1 C2D 30(10) 16_556 3_665
C2 Cl1 C2D 0.0(5) 16_556 3_665
C2 Cl1 C2D 51.4(5) 18_666 3_665
C2A Cl1 C2D 0.0(5) 18_666 3_665
C2A Cl1 C2D 51.4(5) 17_656 3_665
C2 Cl1 C2D 51.4(5) 17_656 3_665
C2A Cl1 C2D 51.4(5) 16_556 3_665
C2B Cl1 C2D 0.0(5) 17_656 3_665
C2B Cl1 C2D 51.4(5) 16_556 3_665
C2B Cl1 C2D 51.4(5) 18_666 3_665
Cl1A Cl1 C2D 29(10) 16_556 2_655
C2 Cl1 C2D 51.4(5) 16_556 2_655
C2 Cl1 C2D 0.0(7) 18_666 2_655
C2A Cl1 C2D 51.4(5) 18_666 2_655
C2A Cl1 C2D 0.0(5) 17_656 2_655
C2 Cl1 C2D 51.4(5) 17_656 2_655
C2A Cl1 C2D 51.4(5) 16_556 2_655
C2B Cl1 C2D 51.4(5) 17_656 2_655
C2B Cl1 C2D 0.0(7) 16_556 2_655
C2B Cl1 C2D 51.4(5) 18_666 2_655
C2D Cl1 C2D 51.4(6) 3_665 2_655
Cl1 Cl1A C2 149(10) 16_556 .
Cl1 Cl1A C2 149(10) 16_556 3_665
C2 Cl1A C2 51.4(6) . 3_665
Cl1 Cl1A C2A 149(10) 16_556 3_665
C2 Cl1A C2A 0.0(3) . 3_665
C2 Cl1A C2A 51.4(5) 3_665 3_665
Cl1 Cl1A C2 151(10) 16_556 2_655
C2 Cl1A C2 51.4(6) . 2_655
C2 Cl1A C2 51.4(6) 3_665 2_655
C2A Cl1A C2 51.4(5) 3_665 2_655
Cl1 Cl1A C2A 149(10) 16_556 2_655
C2 Cl1A C2A 51.4(5) . 2_655
C2 Cl1A C2A 0.0(7) 3_665 2_655
C2A Cl1A C2A 51.4(6) 3_665 2_655
C2 Cl1A C2A 51.4(5) 2_655 2_655
Cl1 Cl1A C2A 151(10) 16_556 .
C2 Cl1A C2A 51.4(5) . .
C2 Cl1A C2A 51.4(5) 3_665 .
C2A Cl1A C2A 51.4(6) 3_665 .
C2 Cl1A C2A 0.0(5) 2_655 .
C2A Cl1A C2A 51.4(6) 2_655 .
Cl1 Cl1A C2B 149(10) 16_556 .
C2 Cl1A C2B 51.4(5) . .
C2 Cl1A C2B 0.0(3) 3_665 .
C2A Cl1A C2B 51.4(5) 3_665 .
C2 Cl1A C2B 51.4(5) 2_655 .
C2A Cl1A C2B 0.0(3) 2_655 .
C2A Cl1A C2B 51.4(5) . .
Cl1 Cl1A C2B 149(10) 16_556 2_655
C2 Cl1A C2B 0.0(5) . 2_655
C2 Cl1A C2B 51.4(5) 3_665 2_655
C2A Cl1A C2B 0.0(5) 3_665 2_655
C2 Cl1A C2B 51.4(5) 2_655 2_655
C2A Cl1A C2B 51.4(5) 2_655 2_655
C2A Cl1A C2B 51.4(5) . 2_655
C2B Cl1A C2B 51.4(6) . 2_655
Cl1 Cl1A C2B 151(10) 16_556 3_665
C2 Cl1A C2B 51.4(5) . 3_665
C2 Cl1A C2B 51.4(5) 3_665 3_665
C2A Cl1A C2B 51.4(5) 3_665 3_665
C2 Cl1A C2B 0.0(3) 2_655 3_665
C2A Cl1A C2B 51.4(5) 2_655 3_665
C2A Cl1A C2B 0.0(5) . 3_665
C2B Cl1A C2B 51.4(6) . 3_665
C2B Cl1A C2B 51.4(6) 2_655 3_665
Cl1 Cl1A C2D 149(10) 16_556 18_666
C2 Cl1A C2D 0.0(5) . 18_666
C2 Cl1A C2D 51.4(5) 3_665 18_666
C2A Cl1A C2D 0.0(5) 3_665 18_666
C2 Cl1A C2D 51.4(5) 2_655 18_666
C2A Cl1A C2D 51.4(5) 2_655 18_666
C2A Cl1A C2D 51.4(5) . 18_666
C2B Cl1A C2D 51.4(5) . 18_666
C2B Cl1A C2D 0.0(5) 2_655 18_666
C2B Cl1A C2D 51.4(5) 3_665 18_666
Cl1 Cl1A C2D 149(10) 16_556 17_656
C2 Cl1A C2D 51.4(5) . 17_656
C2 Cl1A C2D 0.0(7) 3_665 17_656
C2A Cl1A C2D 51.4(5) 3_665 17_656
C2 Cl1A C2D 51.4(5) 2_655 17_656
C2A Cl1A C2D 0.0(3) 2_655 17_656
C2A Cl1A C2D 51.4(5) . 17_656
C2B Cl1A C2D 0.0(3) . 17_656
C2B Cl1A C2D 51.4(5) 2_655 17_656
C2B Cl1A C2D 51.4(5) 3_665 17_656
C2D Cl1A C2D 51.4(6) 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 2.133(5) 2_765
Cd1 N1 2.133(5) 3_675
Cd1 N1 2.133(5) 14_565
Cd1 N1 2.133(5) .
Cd1 N1 2.133(5) 13_775
Cd1 N1 2.133(5) 15_655
Cd1 S1 2.823(4) 2_765
Cd1 S1 2.823(4) 3_675
Cd1 S1 2.823(4) .
Cd1 S1 2.823(4) 15_655
Cd1 S1 2.823(4) 14_565
Cd1 S1 2.823(4) 13_775
S1 N1 0.873(6) .
S1 C1 1.441(5) .
C1 N1 1.320(6) 16_556
C1 N1 1.320(6) .
C1 S1 1.441(5) 16_556
C3 C3A 0.000(9) 16_556
C3 C2E 1.507(12) 17_656
C3 C2E 1.507(12) 16_556
C3 C2E 1.507(12) 18_666
C3 C2D 1.507(12) 18_666
C3 C2D 1.507(12) 17_656
C3 C2D 1.507(12) 16_556
C3 C2C 1.507(12) 18_666
C3 C2C 1.507(12) 17_656
C3 C2C 1.507(12) 16_556
C3 C2B 1.507(12) 2_655
C3 C2B 1.507(12) 3_665
C2 C2A 0.00(2) 3_665
C2 C2B 0.00(2) 2_655
C2 C2C 0.00(2) 16_556
C2 C2D 0.00(2) 18_666
C2 C2E 0.00(2) 17_656
C2 Cl1 1.734(15) 16_556
C2 Cl1A 1.733(15) .
C2 C3A 1.507(12) 16_556
C2 C2B 1.504(10) .
C2 C2A 1.504(10) 2_655
C2 C2D 1.504(10) 17_656
N2 C3A 1.530(7) 16_556
N2 C3A 1.530(7) .
N2 C3 1.530(7) 16_556
N2 C6 1.512(11) .
N2 C6 1.512(12) 2_655
N2 C6 1.512(11) 3_665
N2 C5 1.527(11) 3_665
N2 C5 1.527(11) .
N2 C5 1.527(11) 2_655
N2 C4 1.526(11) .
N2 C4 1.526(11) 3_665
C2A C2B 0.00(3) 3_665
C2A C2 0.000(19) 2_655
C2A C2D 0.00(2) 16_556
C2A C2C 0.001(18) 17_656
C2A C2E 0.001(18) 18_666
C2A Cl1 1.734(15) 16_556
C2A Cl1A 1.733(15) .
C2A C3A 1.507(12) 16_556
C2A C2A 1.504(15) 3_665
C2A C2B 1.504(10) 2_655
C2A C2D 1.504(10) 18_666
C2B C2A 0.00(3) 2_655
C2B C2 0.000(19) 3_665
C2B C2D 0.00(2) 17_656
C2B C2E 0.001(18) 16_556
C2B C2C 0.001(18) 18_666
C2B Cl1 1.734(15) 16_556
C2B Cl1A 1.733(15) .
C2B C3A 1.507(12) 16_556
C2B C2B 1.504(15) 2_655
C2B C2A 1.504(10) 3_665
C2B C2D 1.504(10) 18_666
C3A C3 0.000(9) 16_556
C3A C2E 1.507(12) 2_655
C3A C2E 1.507(12) 3_665
C3A C2D 1.507(12) 3_665
C3A C2E 1.507(12) .
C3A C2D 1.507(12) 2_655
C3A C2D 1.507(12) .
C3A C2C 1.507(12) .
C3A C2C 1.507(12) 3_665
C3A C2C 1.507(12) 2_655
C3A C2B 1.507(12) 17_656
C2C C2E 0.000(17) 2_655
C2C C2D 0.00(2) 3_665
C2C C2B 0.00(2) 17_656
C2C C2A 0.00(2) 18_666
C2C C2 0.00(2) 16_556
C2C Cl1 1.733(15) .
C2C Cl1A 1.733(15) 16_556
C2C C3 1.507(12) 16_556
C2C C2D 1.504(10) 2_655
C2C C2B 1.504(10) 16_556
C2C C2A 1.504(10) 17_656
C2D C2E 0.00(3) 3_665
C2D C2C 0.00(3) 2_655
C2D C2B 0.00(2) 18_666
C2D C2A 0.00(2) 16_556
C2D C2 0.00(2) 17_656
C2D Cl1 1.733(15) .
C2D Cl1A 1.732(15) 16_556
C2D C3 1.507(12) 16_556
C2D C2D 1.504(15) 3_665
C2D C2B 1.504(10) 17_656
C2D C2A 1.504(10) 18_666
C2E C2D 0.00(3) 2_655
C2E C2C 0.000(19) 3_665
C2E C2B 0.001(18) 16_556
C2E C2A 0.001(18) 17_656
C2E C2 0.001(18) 18_666
C2E Cl1 1.734(15) .
C2E Cl1A 1.733(15) 16_556
C2E C3 1.507(12) 16_556
C2E C2D 1.504(10) 3_665
C2E C2B 1.504(10) 17_656
C2E C2A 1.504(10) 18_666
C4 C5 0.00(3) 3_665
C4 C6 0.014(16) 2_655
C5 C4 0.000(18) 2_655
C5 C6 0.014(17) 3_665
C6 C5 0.014(16) 2_655
C6 C4 0.014(16) 3_665
Cl1 Cl1A 0.001(17) 16_556
Cl1 C2 1.734(15) 16_556
Cl1 C2 1.734(15) 18_666
Cl1 C2A 1.734(15) 18_666
Cl1 C2A 1.734(15) 17_656
Cl1 C2 1.734(15) 17_656
Cl1 C2A 1.734(15) 16_556
Cl1 C2B 1.734(15) 17_656
Cl1 C2B 1.734(15) 16_556
Cl1 C2B 1.734(15) 18_666
Cl1 C2D 1.733(15) 3_665
Cl1 C2D 1.733(15) 2_655
Cl1A Cl1 0.001(17) 16_556
Cl1A C2 1.733(15) 3_665
Cl1A C2A 1.733(15) 3_665
Cl1A C2 1.733(15) 2_655
Cl1A C2A 1.733(15) 2_655
Cl1A C2B 1.733(15) 2_655
Cl1A C2B 1.733(15) 3_665
Cl1A C2D 1.732(15) 18_666
Cl1A C2D 1.732(15) 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 40.28(12) 2_765 .
N1 Cd1 S1 N1 -40.28(12) 3_675 .
N1 Cd1 S1 N1 -139.72(12) 14_565 .
N1 Cd1 S1 N1 179.996(4) 13_775 .
N1 Cd1 S1 N1 139.72(12) 15_655 .
S1 Cd1 S1 N1 49.81(6) 2_765 .
S1 Cd1 S1 N1 -49.81(6) 3_675 .
S1 Cd1 S1 N1 130.19(6) 15_655 .
S1 Cd1 S1 N1 -130.19(6) 14_565 .
S1 Cd1 S1 N1 -166(100) 13_775 .
N1 Cd1 S1 C1 40.28(12) 2_765 .
N1 Cd1 S1 C1 -40.28(12) 3_675 .
N1 Cd1 S1 C1 -139.72(12) 14_565 .
N1 Cd1 S1 C1 0.000(2) . .
N1 Cd1 S1 C1 179.995(2) 13_775 .
N1 Cd1 S1 C1 139.72(12) 15_655 .
S1 Cd1 S1 C1 49.81(6) 2_765 .
S1 Cd1 S1 C1 -49.81(6) 3_675 .
S1 Cd1 S1 C1 130.19(6) 15_655 .
S1 Cd1 S1 C1 -130.19(6) 14_565 .
S1 Cd1 S1 C1 -166(100) 13_775 .
N1 S1 C1 N1 180(100) . 16_556
Cd1 S1 C1 N1 180(100) . 16_556
Cd1 S1 C1 N1 0.000(2) . .
N1 S1 C1 S1 179.999(3) . 16_556
Cd1 S1 C1 S1 180.000(3) . 16_556
Cd1 S1 N1 C1 180.000(3) . .
C1 S1 N1 Cd1 180.000(3) . .
N1 C1 N1 S1 180.005(3) 16_556 .
S1 C1 N1 S1 0.00(5) 16_556 .
N1 C1 N1 Cd1 0.005(4) 16_556 .
S1 C1 N1 Cd1 180(100) 16_556 .
S1 C1 N1 Cd1 180.001(2) . .
N1 Cd1 N1 S1 -139.05(9) 2_765 .
N1 Cd1 N1 S1 139.05(9) 3_675 .
N1 Cd1 N1 S1 40.95(9) 14_565 .
N1 Cd1 N1 S1 -62(8) 13_775 .
N1 Cd1 N1 S1 -40.95(9) 15_655 .
S1 Cd1 N1 S1 -130.89(4) 2_765 .
S1 Cd1 N1 S1 130.89(4) 3_675 .
S1 Cd1 N1 S1 -49.11(4) 15_655 .
S1 Cd1 N1 S1 49.11(4) 14_565 .
S1 Cd1 N1 S1 180.000(2) 13_775 .
N1 Cd1 N1 C1 40.95(9) 2_765 .
N1 Cd1 N1 C1 -40.95(9) 3_675 .
N1 Cd1 N1 C1 -139.05(9) 14_565 .
N1 Cd1 N1 C1 118(8) 13_775 .
N1 Cd1 N1 C1 139.05(9) 15_655 .
S1 Cd1 N1 C1 49.11(4) 2_765 .
S1 Cd1 N1 C1 -49.11(4) 3_675 .
S1 Cd1 N1 C1 179.999(4) . .
S1 Cd1 N1 C1 130.89(4) 15_655 .
S1 Cd1 N1 C1 -130.89(4) 14_565 .
S1 Cd1 N1 C1 -0.001(4) 13_775 .
C3A C3 C2 C2A 16(100) 16_556 3_665
C2E C3 C2 C2A 7(100) 17_656 3_665
C2E C3 C2 C2A 40(100) 16_556 3_665
C2E C3 C2 C2A -30(100) 18_666 3_665
C2D C3 C2 C2A 4(100) 18_666 3_665
C2D C3 C2 C2A 40(100) 17_656 3_665
C2D C3 C2 C2A -30(100) 16_556 3_665
C2C C3 C2 C2A 40(100) 18_666 3_665
C2C C3 C2 C2A -30(100) 17_656 3_665
C2C C3 C2 C2A 4(100) 16_556 3_665
C2B C3 C2 C2A -35(100) 2_655 3_665
C2B C3 C2 C2A -30(100) 3_665 3_665
C3A C3 C2 C2B 50(100) 16_556 2_655
C2E C3 C2 C2B 42(100) 17_656 2_655
C2E C3 C2 C2B 75(100) 16_556 2_655
C2E C3 C2 C2B 5(100) 18_666 2_655
C2D C3 C2 C2B 39(100) 18_666 2_655
C2D C3 C2 C2B 75(100) 17_656 2_655
C2D C3 C2 C2B 5(100) 16_556 2_655
C2C C3 C2 C2B 75(100) 18_666 2_655
C2C C3 C2 C2B 5(100) 17_656 2_655
C2C C3 C2 C2B 39(100) 16_556 2_655
C2B C3 C2 C2B 5(100) 3_665 2_655
C3A C3 C2 C2C 11(100) 16_556 16_556
C2E C3 C2 C2C 3(100) 17_656 16_556
C2E C3 C2 C2C 36(100) 16_556 16_556
C2E C3 C2 C2C -34(100) 18_666 16_556
C2D C3 C2 C2C 0(100) 18_666 16_556
C2D C3 C2 C2C 36(100) 17_656 16_556
C2D C3 C2 C2C -34(100) 16_556 16_556
C2C C3 C2 C2C 36(100) 18_666 16_556
C2C C3 C2 C2C -34(100) 17_656 16_556
C2B C3 C2 C2C -39(100) 2_655 16_556
C2B C3 C2 C2C -34(100) 3_665 16_556
C3A C3 C2 C2D 11(100) 16_556 18_666
C2E C3 C2 C2D 3(100) 17_656 18_666
C2E C3 C2 C2D 36(100) 16_556 18_666
C2E C3 C2 C2D -34(100) 18_666 18_666
C2D C3 C2 C2D 36(100) 17_656 18_666
C2D C3 C2 C2D -34(100) 16_556 18_666
C2C C3 C2 C2D 36(100) 18_666 18_666
C2C C3 C2 C2D -34(100) 17_656 18_666
C2C C3 C2 C2D 0(100) 16_556 18_666
C2B C3 C2 C2D -39(100) 2_655 18_666
C2B C3 C2 C2D -34(100) 3_665 18_666
C3A C3 C2 C2E 8(100) 16_556 17_656
C2E C3 C2 C2E 33(100) 16_556 17_656
C2E C3 C2 C2E -37(100) 18_666 17_656
C2D C3 C2 C2E -3(100) 18_666 17_656
C2D C3 C2 C2E 33(100) 17_656 17_656
C2D C3 C2 C2E -37(100) 16_556 17_656
C2C C3 C2 C2E 33(100) 18_666 17_656
C2C C3 C2 C2E -37(100) 17_656 17_656
C2C C3 C2 C2E -3(100) 16_556 17_656
C2B C3 C2 C2E -42(100) 2_655 17_656
C2B C3 C2 C2E -37(100) 3_665 17_656
C3A C3 C2 Cl1 10(100) 16_556 16_556
C2E C3 C2 Cl1 2(100) 17_656 16_556
C2E C3 C2 Cl1 35.2(3) 16_556 16_556
C2E C3 C2 Cl1 -35.2(3) 18_666 16_556
C2D C3 C2 Cl1 -1(100) 18_666 16_556
C2D C3 C2 Cl1 35.2(3) 17_656 16_556
C2D C3 C2 Cl1 -35.2(3) 16_556 16_556
C2C C3 C2 Cl1 35.2(3) 18_666 16_556
C2C C3 C2 Cl1 -35.2(3) 17_656 16_556
C2C C3 C2 Cl1 -1(100) 16_556 16_556
C2B C3 C2 Cl1 -40(100) 2_655 16_556
C2B C3 C2 Cl1 -35.2(3) 3_665 16_556
C3A C3 C2 Cl1A 10(100) 16_556 .
C2E C3 C2 Cl1A 2(100) 17_656 .
C2E C3 C2 Cl1A 35.2(3) 16_556 .
C2E C3 C2 Cl1A -35.2(3) 18_666 .
C2D C3 C2 Cl1A -1(100) 18_666 .
C2D C3 C2 Cl1A 35.2(3) 17_656 .
C2D C3 C2 Cl1A -35.2(3) 16_556 .
C2C C3 C2 Cl1A 35.2(3) 18_666 .
C2C C3 C2 Cl1A -35.2(3) 17_656 .
C2C C3 C2 Cl1A -1(100) 16_556 .
C2B C3 C2 Cl1A -40(100) 2_655 .
C2B C3 C2 Cl1A -35.2(3) 3_665 .
C2E C3 C2 C3A -8(100) 17_656 16_556
C2E C3 C2 C3A 25(100) 16_556 16_556
C2E C3 C2 C3A -46(100) 18_666 16_556
C2D C3 C2 C3A -11(100) 18_666 16_556
C2D C3 C2 C3A 25(100) 17_656 16_556
C2D C3 C2 C3A -45(100) 16_556 16_556
C2C C3 C2 C3A 25(100) 18_666 16_556
C2C C3 C2 C3A -46(100) 17_656 16_556
C2C C3 C2 C3A -11(100) 16_556 16_556
C2B C3 C2 C3A -50(100) 2_655 16_556
C2B C3 C2 C3A -46(100) 3_665 16_556
C3A C3 C2 C2B -25(100) 16_556 .
C2E C3 C2 C2B -33(100) 17_656 .
C2E C3 C2 C2B 0.0(4) 16_556 .
C2E C3 C2 C2B -70.5(5) 18_666 .
C2D C3 C2 C2B -36(100) 18_666 .
C2D C3 C2 C2B 0.0(4) 17_656 .
C2D C3 C2 C2B -70.5(5) 16_556 .
C2C C3 C2 C2B 0.0(4) 18_666 .
C2C C3 C2 C2B -70.5(5) 17_656 .
C2C C3 C2 C2B -36(100) 16_556 .
C2B C3 C2 C2B -75(100) 2_655 .
C2B C3 C2 C2B -70.5(6) 3_665 .
C3A C3 C2 C2A -25(100) 16_556 2_655
C2E C3 C2 C2A -33(100) 17_656 2_655
C2E C3 C2 C2A 0.0(4) 16_556 2_655
C2E C3 C2 C2A -70.5(5) 18_666 2_655
C2D C3 C2 C2A -36(100) 18_666 2_655
C2D C3 C2 C2A 0.0(4) 17_656 2_655
C2D C3 C2 C2A -70.5(5) 16_556 2_655
C2C C3 C2 C2A 0.0(4) 18_666 2_655
C2C C3 C2 C2A -70.5(5) 17_656 2_655
C2C C3 C2 C2A -36(100) 16_556 2_655
C2B C3 C2 C2A -75(100) 2_655 2_655
C2B C3 C2 C2A -70.5(5) 3_665 2_655
C3A C3 C2 C2D -25(100) 16_556 17_656
C2E C3 C2 C2D -33(100) 17_656 17_656
C2E C3 C2 C2D 0.0(4) 16_556 17_656
C2E C3 C2 C2D -70.4(4) 18_666 17_656
C2D C3 C2 C2D -36(100) 18_666 17_656
C2D C3 C2 C2D -70.4(6) 16_556 17_656
C2C C3 C2 C2D 0.0(4) 18_666 17_656
C2C C3 C2 C2D -70.4(4) 17_656 17_656
C2C C3 C2 C2D -36(100) 16_556 17_656
C2B C3 C2 C2D -75(100) 2_655 17_656
C2B C3 C2 C2D -70.5(5) 3_665 17_656
C2E C3 N2 C3A -73(17) 17_656 16_556
C2E C3 N2 C3A 47(17) 16_556 16_556
C2E C3 N2 C3A 167(17) 18_666 16_556
C2D C3 N2 C3A -73(17) 18_666 16_556
C2D C3 N2 C3A 47(17) 17_656 16_556
C2D C3 N2 C3A 167(17) 16_556 16_556
C2C C3 N2 C3A 47(17) 18_666 16_556
C2C C3 N2 C3A 167(17) 17_656 16_556
C2C C3 N2 C3A -73(17) 16_556 16_556
C2B C3 N2 C3A -73(17) 2_655 16_556
C2B C3 N2 C3A 167(17) 3_665 16_556
C3A C3 N2 C3A 0(100) 16_556 .
C2E C3 N2 C3A -150(100) 17_656 .
C2E C3 N2 C3A -30(100) 16_556 .
C2E C3 N2 C3A 90(100) 18_666 .
C2D C3 N2 C3A -150(100) 18_666 .
C2D C3 N2 C3A -30(100) 17_656 .
C2D C3 N2 C3A 90(100) 16_556 .
C2C C3 N2 C3A -30(100) 18_666 .
C2C C3 N2 C3A 90(100) 17_656 .
C2C C3 N2 C3A -150(100) 16_556 .
C2B C3 N2 C3A -150(100) 2_655 .
C2B C3 N2 C3A 90(100) 3_665 .
C3A C3 N2 C3 -1(50) 16_556 16_556
C2E C3 N2 C3 -74(35) 17_656 16_556
C2E C3 N2 C3 46(35) 16_556 16_556
C2E C3 N2 C3 166(100) 18_666 16_556
C2D C3 N2 C3 -74(35) 18_666 16_556
C2D C3 N2 C3 46(35) 17_656 16_556
C2D C3 N2 C3 166(100) 16_556 16_556
C2C C3 N2 C3 46(35) 18_666 16_556
C2C C3 N2 C3 166(100) 17_656 16_556
C2C C3 N2 C3 -74(35) 16_556 16_556
C2B C3 N2 C3 -74(35) 2_655 16_556
C2B C3 N2 C3 166(100) 3_665 16_556
C3A C3 N2 C6 13(15) 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(1) 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(1) 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 133(15) 16_556 2_655
C2E C3 N2 C6 60.0 17_656 2_655
C2E C3 N2 C6 179.998(1) 16_556 2_655
C2E C3 N2 C6 -59.998(1) 18_666 2_655
C2D C3 N2 C6 60.0 18_666 2_655
C2D C3 N2 C6 180.0 17_656 2_655
C2D C3 N2 C6 -60.000(1) 16_556 2_655
C2C C3 N2 C6 180.0 18_666 2_655
C2C C3 N2 C6 -59.997(1) 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(1) 3_665 2_655
C3A C3 N2 C6 -107(15) 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(1) 18_666 3_665
C2D C3 N2 C6 180.0 18_666 3_665
C2D C3 N2 C6 -60.0 17_656 3_665
C2D C3 N2 C6 59.999(1) 16_556 3_665
C2C C3 N2 C6 -60.0 18_666 3_665
C2C C3 N2 C6 60.002(1) 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 133(15) 16_556 3_665
C2E C3 N2 C5 60.0 17_656 3_665
C2E C3 N2 C5 180.0 16_556 3_665
C2E C3 N2 C5 -59.998(1) 18_666 3_665
C2D C3 N2 C5 60.0 18_666 3_665
C2D C3 N2 C5 180.0 17_656 3_665
C2D C3 N2 C5 -60.000(1) 16_556 3_665
C2C C3 N2 C5 179.999(1) 18_666 3_665
C2C C3 N2 C5 -59.997(1) 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(1) 3_665 3_665
C3A C3 N2 C5 -107(15) 16_556 .
C2E C3 N2 C5 180.0 17_656 .
C2E C3 N2 C5 -60.0 16_556 .
C2E C3 N2 C5 60.002(2) 18_666 .
C2D C3 N2 C5 180.0 18_666 .
C2D C3 N2 C5 -60.0 17_656 .
C2D C3 N2 C5 60.000(1) 16_556 .
C2C C3 N2 C5 -60.0 18_666 .
C2C C3 N2 C5 60.002(1) 17_656 .
C2C C3 N2 C5 180.0 16_556 .
C2B C3 N2 C5 180.0 2_655 .
C2B C3 N2 C5 60.000(1) 3_665 .
C3A C3 N2 C5 13(15) 16_556 2_655
C2E C3 N2 C5 -60.0 17_656 2_655
C2E C3 N2 C5 59.999(1) 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 60.0 17_656 2_655
C2D C3 N2 C5 180.001(1) 16_556 2_655
C2C C3 N2 C5 60.0 18_666 2_655
C2C C3 N2 C5 180.0 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
C3A C3 N2 C4 133(15) 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(1) 18_666 .
C2D C3 N2 C4 60.0 18_666 .
C2D C3 N2 C4 180.000(1) 17_656 .
C2D C3 N2 C4 -60.000(1) 16_556 .
C2C C3 N2 C4 180.0 18_666 .
C2C C3 N2 C4 -59.998(1) 17_656 .
C2C C3 N2 C4 59.999(1) 16_556 .
C2B C3 N2 C4 60.000(1) 2_655 .
C2B C3 N2 C4 -60.000(1) 3_665 .
C3A C3 N2 C4 13(15) 16_556 3_665
C2E C3 N2 C4 -60.0 17_656 3_665
C2E C3 N2 C4 59.998(1) 16_556 3_665
C2E C3 N2 C4 180.002(1) 18_666 3_665
C2D C3 N2 C4 -60.0 18_666 3_665
C2D C3 N2 C4 60.0 17_656 3_665
C2D C3 N2 C4 180.0 16_556 3_665
C2C C3 N2 C4 60.0 18_666 3_665
C2C C3 N2 C4 180.0 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 C2A C2B 179(100) 16_556 3_665
C2E C3 C2A C2B -144(100) 17_656 3_665
C2E C3 C2A C2B 146(100) 16_556 3_665
C2E C3 C2A C2B -175(100) 18_666 3_665
C2D C3 C2A C2B -144(100) 18_666 3_665
C2D C3 C2A C2B 146(100) 17_656 3_665
C2D C3 C2A C2B -180(100) 16_556 3_665
C2C C3 C2A C2B 146(100) 18_666 3_665
C2C C3 C2A C2B -174(100) 17_656 3_665
C2C C3 C2A C2B -144(100) 16_556 3_665
C2B C3 C2A C2B -144(100) 2_655 3_665
C3A C3 C2A C2 176(100) 16_556 2_655
C2E C3 C2A C2 -147(100) 17_656 2_655
C2E C3 C2A C2 143(100) 16_556 2_655
C2E C3 C2A C2 -178(100) 18_666 2_655
C2D C3 C2A C2 -147(100) 18_666 2_655
C2D C3 C2A C2 143(100) 17_656 2_655
C2D C3 C2A C2 177(100) 16_556 2_655
C2C C3 C2A C2 143(100) 18_666 2_655
C2C C3 C2A C2 -177(100) 17_656 2_655
C2C C3 C2A C2 -147(100) 16_556 2_655
C2B C3 C2A C2 -147(100) 2_655 2_655
C2B C3 C2A C2 -3(100) 3_665 2_655
C3A C3 C2A C2D -1(100) 16_556 16_556
C2E C3 C2A C2D 36(100) 17_656 16_556
C2E C3 C2A C2D -34(100) 16_556 16_556
C2E C3 C2A C2D 5(100) 18_666 16_556
C2D C3 C2A C2D 36(100) 18_666 16_556
C2D C3 C2A C2D -34(100) 17_656 16_556
C2C C3 C2A C2D -34(100) 18_666 16_556
C2C C3 C2A C2D 5(100) 17_656 16_556
C2C C3 C2A C2D 36(100) 16_556 16_556
C2B C3 C2A C2D 36(100) 2_655 16_556
C2B C3 C2A C2D 180(100) 3_665 16_556
C3A C3 C2A C2C -7(100) 16_556 17_656
C2E C3 C2A C2C 31(100) 17_656 17_656
C2E C3 C2A C2C -40(100) 16_556 17_656
C2E C3 C2A C2C -1(100) 18_666 17_656
C2D C3 C2A C2C 31(100) 18_666 17_656
C2D C3 C2A C2C -40(100) 17_656 17_656
C2D C3 C2A C2C -5(100) 16_556 17_656
C2C C3 C2A C2C -40(100) 18_666 17_656
C2C C3 C2A C2C 31(100) 16_556 17_656
C2B C3 C2A C2C 31(100) 2_655 17_656
C2B C3 C2A C2C 174(100) 3_665 17_656
C3A C3 C2A C2E -6(100) 16_556 18_666
C2E C3 C2A C2E 31(100) 17_656 18_666
C2E C3 C2A C2E -39(100) 16_556 18_666
C2D C3 C2A C2E 31(100) 18_666 18_666
C2D C3 C2A C2E -39(100) 17_656 18_666
C2D C3 C2A C2E -5(100) 16_556 18_666
C2C C3 C2A C2E -39(100) 18_666 18_666
C2C C3 C2A C2E 1(100) 17_656 18_666
C2C C3 C2A C2E 31(100) 16_556 18_666
C2B C3 C2A C2E 31(100) 2_655 18_666
C2B C3 C2A C2E 175(100) 3_665 18_666
C3A C3 C2A Cl1 -2(100) 16_556 16_556
C2E C3 C2A Cl1 35.2(3) 17_656 16_556
C2E C3 C2A Cl1 -35.2(3) 16_556 16_556
C2E C3 C2A Cl1 4(100) 18_666 16_556
C2D C3 C2A Cl1 35.2(3) 18_666 16_556
C2D C3 C2A Cl1 -35.2(3) 17_656 16_556
C2D C3 C2A Cl1 -1(100) 16_556 16_556
C2C C3 C2A Cl1 -35.2(3) 18_666 16_556
C2C C3 C2A Cl1 5(100) 17_656 16_556
C2C C3 C2A Cl1 35.2(3) 16_556 16_556
C2B C3 C2A Cl1 35.2(3) 2_655 16_556
C2B C3 C2A Cl1 179(100) 3_665 16_556
C3A C3 C2A Cl1A -2(100) 16_556 .
C2E C3 C2A Cl1A 35.2(3) 17_656 .
C2E C3 C2A Cl1A -35.2(3) 16_556 .
C2E C3 C2A Cl1A 4(100) 18_666 .
C2D C3 C2A Cl1A 35.2(3) 18_666 .
C2D C3 C2A Cl1A -35.2(3) 17_656 .
C2D C3 C2A Cl1A -1(100) 16_556 .
C2C C3 C2A Cl1A -35.2(3) 18_666 .
C2C C3 C2A Cl1A 5(100) 17_656 .
C2C C3 C2A Cl1A 35.2(3) 16_556 .
C2B C3 C2A Cl1A 35.2(3) 2_655 .
C2B C3 C2A Cl1A 179(100) 3_665 .
C2E C3 C2A C3A 37(100) 17_656 16_556
C2E C3 C2A C3A -33(100) 16_556 16_556
C2E C3 C2A C3A 6(100) 18_666 16_556
C2D C3 C2A C3A 37(100) 18_666 16_556
C2D C3 C2A C3A -33(100) 17_656 16_556
C2D C3 C2A C3A 1(100) 16_556 16_556
C2C C3 C2A C3A -33(100) 18_666 16_556
C2C C3 C2A C3A 7(100) 17_656 16_556
C2C C3 C2A C3A 37(100) 16_556 16_556
C2B C3 C2A C3A 37(100) 2_655 16_556
C2B C3 C2A C3A -179(100) 3_665 16_556
C3A C3 C2A C2A -37(100) 16_556 3_665
C2E C3 C2A C2A 0.0(4) 17_656 3_665
C2E C3 C2A C2A -70.5(3) 16_556 3_665
C2E C3 C2A C2A -31(100) 18_666 3_665
C2D C3 C2A C2A 0.0(4) 18_666 3_665
C2D C3 C2A C2A -70.5(3) 17_656 3_665
C2D C3 C2A C2A -36(100) 16_556 3_665
C2C C3 C2A C2A -70.5(3) 18_666 3_665
C2C C3 C2A C2A -31(100) 17_656 3_665
C2C C3 C2A C2A 0.0(4) 16_556 3_665
C2B C3 C2A C2A 0.0(4) 2_655 3_665
C2B C3 C2A C2A 144(100) 3_665 3_665
C3A C3 C2A C2B -37(100) 16_556 2_655
C2E C3 C2A C2B 0.0(4) 17_656 2_655
C2E C3 C2A C2B -70.5(5) 16_556 2_655
C2E C3 C2A C2B -31(100) 18_666 2_655
C2D C3 C2A C2B 0.0(4) 18_666 2_655
C2D C3 C2A C2B -70.5(5) 17_656 2_655
C2D C3 C2A C2B -36(100) 16_556 2_655
C2C C3 C2A C2B -70.5(5) 18_666 2_655
C2C C3 C2A C2B -31(100) 17_656 2_655
C2C C3 C2A C2B 0.0(4) 16_556 2_655
C2B C3 C2A C2B 144(100) 3_665 2_655
C3A C3 C2A C2D -37(100) 16_556 18_666
C2E C3 C2A C2D 0.0(4) 17_656 18_666
C2E C3 C2A C2D -70.4(4) 16_556 18_666
C2E C3 C2A C2D -31(100) 18_666 18_666
C2D C3 C2A C2D -70.4(6) 17_656 18_666
C2D C3 C2A C2D -36(100) 16_556 18_666
C2C C3 C2A C2D -70.4(4) 18_666 18_666
C2C C3 C2A C2D -31(100) 17_656 18_666
C2C C3 C2A C2D 0.0(4) 16_556 18_666
C2B C3 C2A C2D 0.0(4) 2_655 18_666
C2B C3 C2A C2D 144(100) 3_665 18_666
C3A C3 C2B C2A -12(100) 16_556 2_655
C2E C3 C2B C2A -39(100) 17_656 2_655
C2E C3 C2B C2A -7(100) 16_556 2_655
C2E C3 C2B C2A 32(100) 18_666 2_655
C2D C3 C2B C2A -39(100) 18_666 2_655
C2D C3 C2B C2A -3(100) 17_656 2_655
C2D C3 C2B C2A 32(100) 16_556 2_655
C2C C3 C2B C2A -6(100) 18_666 2_655
C2C C3 C2B C2A 32(100) 17_656 2_655
C2C C3 C2B C2A -39(100) 16_556 2_655
C2B C3 C2B C2A -39(100) 2_655 2_655
C2B C3 C2B C2A 32(100) 3_665 2_655
C3A C3 C2B C2 -169(100) 16_556 3_665
C2E C3 C2B C2 164(100) 17_656 3_665
C2E C3 C2B C2 -164(100) 16_556 3_665
C2E C3 C2B C2 -125(100) 18_666 3_665
C2D C3 C2B C2 164(100) 18_666 3_665
C2D C3 C2B C2 -160(100) 17_656 3_665
C2D C3 C2B C2 -125(100) 16_556 3_665
C2C C3 C2B C2 -163(100) 18_666 3_665
C2C C3 C2B C2 -125(100) 17_656 3_665
C2C C3 C2B C2 164(100) 16_556 3_665
C2B C3 C2B C2 164(100) 2_655 3_665
C2B C3 C2B C2 -125(100) 3_665 3_665
C3A C3 C2B C2D -9(100) 16_556 17_656
C2E C3 C2B C2D -36(100) 17_656 17_656
C2E C3 C2B C2D -4(100) 16_556 17_656
C2E C3 C2B C2D 35(100) 18_666 17_656
C2D C3 C2B C2D -36(100) 18_666 17_656
C2D C3 C2B C2D 35(100) 16_556 17_656
C2C C3 C2B C2D -3(100) 18_666 17_656
C2C C3 C2B C2D 35(100) 17_656 17_656
C2C C3 C2B C2D -36(100) 16_556 17_656
C2B C3 C2B C2D -36(100) 2_655 17_656
C2B C3 C2B C2D 35(100) 3_665 17_656
C3A C3 C2B C2E -5(100) 16_556 16_556
C2E C3 C2B C2E -32(100) 17_656 16_556
C2E C3 C2B C2E 39(100) 18_666 16_556
C2D C3 C2B C2E -32(100) 18_666 16_556
C2D C3 C2B C2E 4(100) 17_656 16_556
C2D C3 C2B C2E 39(100) 16_556 16_556
C2C C3 C2B C2E 1(100) 18_666 16_556
C2C C3 C2B C2E 39(100) 17_656 16_556
C2C C3 C2B C2E -32(100) 16_556 16_556
C2B C3 C2B C2E -32(100) 2_655 16_556
C2B C3 C2B C2E 39(100) 3_665 16_556
C3A C3 C2B C2C -6(100) 16_556 18_666
C2E C3 C2B C2C -33(100) 17_656 18_666
C2E C3 C2B C2C -1(100) 16_556 18_666
C2E C3 C2B C2C 38(100) 18_666 18_666
C2D C3 C2B C2C -33(100) 18_666 18_666
C2D C3 C2B C2C 3(100) 17_656 18_666
C2D C3 C2B C2C 38(100) 16_556 18_666
C2C C3 C2B C2C 38(100) 17_656 18_666
C2C C3 C2B C2C -33(100) 16_556 18_666
C2B C3 C2B C2C -33(100) 2_655 18_666
C2B C3 C2B C2C 38(100) 3_665 18_666
C3A C3 C2B Cl1 -8(100) 16_556 16_556
C2E C3 C2B Cl1 -35.2(3) 17_656 16_556
C2E C3 C2B Cl1 -4(100) 16_556 16_556
C2E C3 C2B Cl1 35.2(3) 18_666 16_556
C2D C3 C2B Cl1 -35.2(3) 18_666 16_556
C2D C3 C2B Cl1 1(100) 17_656 16_556
C2D C3 C2B Cl1 35.2(3) 16_556 16_556
C2C C3 C2B Cl1 -3(100) 18_666 16_556
C2C C3 C2B Cl1 35.2(3) 17_656 16_556
C2C C3 C2B Cl1 -35.2(3) 16_556 16_556
C2B C3 C2B Cl1 -35.24(13) 2_655 16_556
C2B C3 C2B Cl1 35.24(13) 3_665 16_556
C3A C3 C2B Cl1A -8(100) 16_556 .
C2E C3 C2B Cl1A -35.2(3) 17_656 .
C2E C3 C2B Cl1A -4(100) 16_556 .
C2E C3 C2B Cl1A 35.2(3) 18_666 .
C2D C3 C2B Cl1A -35.2(3) 18_666 .
C2D C3 C2B Cl1A 1(100) 17_656 .
C2D C3 C2B Cl1A 35.2(3) 16_556 .
C2C C3 C2B Cl1A -3(100) 18_666 .
C2C C3 C2B Cl1A 35.2(3) 17_656 .
C2C C3 C2B Cl1A -35.2(3) 16_556 .
C2B C3 C2B Cl1A -35.24(13) 2_655 .
C2B C3 C2B Cl1A 35.24(13) 3_665 .
C2E C3 C2B C3A -27(100) 17_656 16_556
C2E C3 C2B C3A 5(100) 16_556 16_556
C2E C3 C2B C3A 44(100) 18_666 16_556
C2D C3 C2B C3A -27(100) 18_666 16_556
C2D C3 C2B C3A 9(100) 17_656 16_556
C2D C3 C2B C3A 44(100) 16_556 16_556
C2C C3 C2B C3A 6(100) 18_666 16_556
C2C C3 C2B C3A 44(100) 17_656 16_556
C2C C3 C2B C3A -27(100) 16_556 16_556
C2B C3 C2B C3A -27(100) 2_655 16_556
C2B C3 C2B C3A 44(100) 3_665 16_556
C3A C3 C2B C2B 27(100) 16_556 2_655
C2E C3 C2B C2B 0.0(4) 17_656 2_655
C2E C3 C2B C2B 32(100) 16_556 2_655
C2E C3 C2B C2B 70.5(3) 18_666 2_655
C2D C3 C2B C2B 0.0(4) 18_666 2_655
C2D C3 C2B C2B 36(100) 17_656 2_655
C2D C3 C2B C2B 70.5(3) 16_556 2_655
C2C C3 C2B C2B 33(100) 18_666 2_655
C2C C3 C2B C2B 70.5(3) 17_656 2_655
C2C C3 C2B C2B 0.0(4) 16_556 2_655
C2B C3 C2B C2B 70.5(3) 3_665 2_655
C3A C3 C2B C2A 27(100) 16_556 3_665
C2E C3 C2B C2A 0.0(4) 17_656 3_665
C2E C3 C2B C2A 32(100) 16_556 3_665
C2E C3 C2B C2A 70.5(5) 18_666 3_665
C2D C3 C2B C2A 0.0(4) 18_666 3_665
C2D C3 C2B C2A 36(100) 17_656 3_665
C2D C3 C2B C2A 70.5(5) 16_556 3_665
C2C C3 C2B C2A 33(100) 18_666 3_665
C2C C3 C2B C2A 70.5(5) 17_656 3_665
C2C C3 C2B C2A 0.0(4) 16_556 3_665
C2B C3 C2B C2A 0.0(4) 2_655 3_665
C2B C3 C2B C2A 70.5(3) 3_665 3_665
C3A C3 C2B C2D 27(100) 16_556 18_666
C2E C3 C2B C2D 0.0(4) 17_656 18_666
C2E C3 C2B C2D 32(100) 16_556 18_666
C2E C3 C2B C2D 70.4(4) 18_666 18_666
C2D C3 C2B C2D 36(100) 17_656 18_666
C2D C3 C2B C2D 70.4(6) 16_556 18_666
C2C C3 C2B C2D 33(100) 18_666 18_666
C2C C3 C2B C2D 70.4(4) 17_656 18_666
C2C C3 C2B C2D 0.0(4) 16_556 18_666
C2B C3 C2B C2D 0.0(4) 2_655 18_666
C2B C3 C2B C2D 70.5(3) 3_665 18_666
C3A N2 C3A C3 1(49) 16_556 16_556
C3 N2 C3A C3 0(100) . 16_556
C6 N2 C3A C3 -13(33) . 16_556
C6 N2 C3A C3 -133(33) 2_655 16_556
C6 N2 C3A C3 107(33) 3_665 16_556
C5 N2 C3A C3 -133(33) 3_665 16_556
C5 N2 C3A C3 107(33) . 16_556
C5 N2 C3A C3 -13(33) 2_655 16_556
C4 N2 C3A C3 -133(33) . 16_556
C4 N2 C3A C3 -13(33) 3_665 16_556
C3A N2 C3A C2E 74(38) 16_556 2_655
C3 N2 C3A C2E 150(100) . 2_655
C3 N2 C3A C2E 73(20) 16_556 2_655
C6 N2 C3A C2E 59.999(4) . 2_655
C6 N2 C3A C2E -60.002(4) 2_655 2_655
C6 N2 C3A C2E 179.999(4) 3_665 2_655
C5 N2 C3A C2E -60.002(4) 3_665 2_655
C5 N2 C3A C2E 179.999(4) . 2_655
C5 N2 C3A C2E 59.997(4) 2_655 2_655
C4 N2 C3A C2E -60.001(4) . 2_655
C4 N2 C3A C2E 59.998(4) 3_665 2_655
C3A N2 C3A C2E -166(100) 16_556 3_665
C3 N2 C3A C2E -90(100) . 3_665
C3 N2 C3A C2E -167(20) 16_556 3_665
C6 N2 C3A C2E 179.998(3) . 3_665
C6 N2 C3A C2E 59.998(3) 2_655 3_665
C6 N2 C3A C2E -60.001(3) 3_665 3_665
C5 N2 C3A C2E 59.998(3) 3_665 3_665
C5 N2 C3A C2E -60.002(3) . 3_665
C5 N2 C3A C2E 179.997(3) 2_655 3_665
C4 N2 C3A C2E 59.998(3) . 3_665
C4 N2 C3A C2E 179.998(3) 3_665 3_665
C3A N2 C3A C2D 74(38) 16_556 3_665
C3 N2 C3A C2D 150(100) . 3_665
C3 N2 C3A C2D 73(20) 16_556 3_665
C6 N2 C3A C2D 60.001(4) . 3_665
C6 N2 C3A C2D -59.999(4) 2_655 3_665
C6 N2 C3A C2D 180.001(4) 3_665 3_665
C5 N2 C3A C2D -60.000(4) 3_665 3_665
C5 N2 C3A C2D 180.001(4) . 3_665
C5 N2 C3A C2D 60.000(4) 2_655 3_665
C4 N2 C3A C2D -59.999(4) . 3_665
C4 N2 C3A C2D 60.001(4) 3_665 3_665
C3A N2 C3A C2E -46(38) 16_556 .
C3 N2 C3A C2E 30(100) . .
C3 N2 C3A C2E -47(20) 16_556 .
C6 N2 C3A C2E -60.000(2) . .
C6 N2 C3A C2E 180.000(1) 2_655 .
C6 N2 C3A C2E 60.000(1) 3_665 .
C5 N2 C3A C2E 180.000(1) 3_665 .
C5 N2 C3A C2E 60.000(1) . .
C5 N2 C3A C2E -60.001(2) 2_655 .
C4 N2 C3A C2E 180.000(1) . .
C4 N2 C3A C2E -60.000(2) 3_665 .
C3A N2 C3A C2D -46(38) 16_556 2_655
C3 N2 C3A C2D 30(100) . 2_655
C3 N2 C3A C2D -47(20) 16_556 2_655
C6 N2 C3A C2D -60.000(2) . 2_655
C6 N2 C3A C2D 179.999(2) 2_655 2_655
C6 N2 C3A C2D 60.000(1) 3_665 2_655
C5 N2 C3A C2D 179.999(1) 3_665 2_655
C5 N2 C3A C2D 60.000(1) . 2_655
C5 N2 C3A C2D -60.002(2) 2_655 2_655
C4 N2 C3A C2D 180.000(2) . 2_655
C4 N2 C3A C2D -60.001(2) 3_665 2_655
C3A N2 C3A C2D -166(100) 16_556 .
C3 N2 C3A C2D -90(100) . .
C3 N2 C3A C2D -167(20) 16_556 .
C6 N2 C3A C2D 180.000(3) . .
C6 N2 C3A C2D 60.000(3) 2_655 .
C6 N2 C3A C2D -60.000(3) 3_665 .
C5 N2 C3A C2D 60.000(3) 3_665 .
C5 N2 C3A C2D -60.000(3) . .
C5 N2 C3A C2D 179.999(3) 2_655 .
C4 N2 C3A C2D 60.000(3) . .
C4 N2 C3A C2D 180.000(3) 3_665 .
C3A N2 C3A C2C 74(38) 16_556 .
C3 N2 C3A C2C 150(100) . .
C3 N2 C3A C2C 73(20) 16_556 .
C6 N2 C3A C2C 60.000(4) . .
C6 N2 C3A C2C -60.000(4) 2_655 .
C6 N2 C3A C2C 180.000(4) 3_665 .
C5 N2 C3A C2C -60.000(4) 3_665 .
C5 N2 C3A C2C 180.000(4) . .
C5 N2 C3A C2C 59.999(4) 2_655 .
C4 N2 C3A C2C -60.000(4) . .
C4 N2 C3A C2C 60.000(4) 3_665 .
C3A N2 C3A C2C -46(38) 16_556 3_665
C3 N2 C3A C2C 30(100) . 3_665
C3 N2 C3A C2C -47(20) 16_556 3_665
C6 N2 C3A C2C -59.998(2) . 3_665
C6 N2 C3A C2C 180.001(2) 2_655 3_665
C6 N2 C3A C2C 60.002(1) 3_665 3_665
C5 N2 C3A C2C 180.001(2) 3_665 3_665
C5 N2 C3A C2C 60.002(1) . 3_665
C5 N2 C3A C2C -60.000(2) 2_655 3_665
C4 N2 C3A C2C 180.002(2) . 3_665
C4 N2 C3A C2C -59.998(2) 3_665 3_665
C3A N2 C3A C2C -166(100) 16_556 2_655
C3 N2 C3A C2C -90(100) . 2_655
C3 N2 C3A C2C -167(20) 16_556 2_655
C6 N2 C3A C2C 179.998(3) . 2_655
C6 N2 C3A C2C 59.997(3) 2_655 2_655
C6 N2 C3A C2C -60.002(3) 3_665 2_655
C5 N2 C3A C2C 59.997(3) 3_665 2_655
C5 N2 C3A C2C -60.002(3) . 2_655
C5 N2 C3A C2C 179.996(3) 2_655 2_655
C4 N2 C3A C2C 59.998(3) . 2_655
C4 N2 C3A C2C 179.998(3) 3_665 2_655
C3A N2 C3A C2B 74(38) 16_556 17_656
C3 N2 C3A C2B 150(100) . 17_656
C3 N2 C3A C2B 73(20) 16_556 17_656
C6 N2 C3A C2B 60.000(4) . 17_656
C6 N2 C3A C2B -60.000(4) 2_655 17_656
C6 N2 C3A C2B 180.001(4) 3_665 17_656
C5 N2 C3A C2B -60.000(4) 3_665 17_656
C5 N2 C3A C2B 180.000(4) . 17_656
C5 N2 C3A C2B 59.999(4) 2_655 17_656
C4 N2 C3A C2B -60.000(4) . 17_656
C4 N2 C3A C2B 60.000(4) 3_665 17_656
C3 C3A C2C C2E -37(100) 16_556 2_655
C2E C3A C2C C2E 169(100) 3_665 2_655
C2D C3A C2C C2E 140(100) 3_665 2_655
C2E C3A C2C C2E 99(100) . 2_655
C2D C3A C2C C2E 99(100) 2_655 2_655
C2D C3A C2C C2E 169(100) . 2_655
N2 C3A C2C C2E -46(100) . 2_655
C2C C3A C2C C2E 99(100) 3_665 2_655
C2C C3A C2C C2E 169(100) 2_655 2_655
C2B C3A C2C C2E -46(100) 17_656 2_655
C3 C3A C2C C2D -177(100) 16_556 3_665
C2E C3A C2C C2D -140(100) 2_655 3_665
C2E C3A C2C C2D 29(100) 3_665 3_665
C2E C3A C2C C2D -41(100) . 3_665
C2D C3A C2C C2D -41(100) 2_655 3_665
C2D C3A C2C C2D 29(100) . 3_665
N2 C3A C2C C2D 174(100) . 3_665
C2C C3A C2C C2D -41(100) 3_665 3_665
C2C C3A C2C C2D 29(100) 2_655 3_665
C2B C3A C2C C2D 174(100) 17_656 3_665
C3 C3A C2C C2B 9(100) 16_556 17_656
C2E C3A C2C C2B 46(100) 2_655 17_656
C2E C3A C2C C2B -144(100) 3_665 17_656
C2D C3A C2C C2B -174(100) 3_665 17_656
C2E C3A C2C C2B 145(100) . 17_656
C2D C3A C2C C2B 145(100) 2_655 17_656
C2D C3A C2C C2B -144(100) . 17_656
N2 C3A C2C C2B 1(100) . 17_656
C2C C3A C2C C2B 145(100) 3_665 17_656
C2C C3A C2C C2B -144(100) 2_655 17_656
C3 C3A C2C C2A 10(100) 16_556 18_666
C2E C3A C2C C2A 48(100) 2_655 18_666
C2E C3A C2C C2A -143(100) 3_665 18_666
C2D C3A C2C C2A -172(100) 3_665 18_666
C2E C3A C2C C2A 147(100) . 18_666
C2D C3A C2C C2A 147(100) 2_655 18_666
C2D C3A C2C C2A -143(100) . 18_666
N2 C3A C2C C2A 2(100) . 18_666
C2C C3A C2C C2A 147(100) 3_665 18_666
C2C C3A C2C C2A -143(100) 2_655 18_666
C2B C3A C2C C2A 1(100) 17_656 18_666
C3 C3A C2C C2 10(100) 16_556 16_556
C2E C3A C2C C2 47(100) 2_655 16_556
C2E C3A C2C C2 -144(100) 3_665 16_556
C2D C3A C2C C2 -173(100) 3_665 16_556
C2E C3A C2C C2 146(100) . 16_556
C2D C3A C2C C2 146(100) 2_655 16_556
C2D C3A C2C C2 -144(100) . 16_556
N2 C3A C2C C2 1(100) . 16_556
C2C C3A C2C C2 146(100) 3_665 16_556
C2C C3A C2C C2 -144(100) 2_655 16_556
C2B C3A C2C C2 1(100) 17_656 16_556
C3 C3A C2C Cl1 -171(100) 16_556 .
C2E C3A C2C Cl1 -134(100) 2_655 .
C2E C3A C2C Cl1 35.2(3) 3_665 .
C2D C3A C2C Cl1 6(100) 3_665 .
C2E C3A C2C Cl1 -35.2(3) . .
C2D C3A C2C Cl1 -35.2(3) 2_655 .
C2D C3A C2C Cl1 35.2(3) . .
N2 C3A C2C Cl1 180.000(4) . .
C2C C3A C2C Cl1 -35.23(13) 3_665 .
C2C C3A C2C Cl1 35.24(13) 2_655 .
C2B C3A C2C Cl1 179(100) 17_656 .
C3 C3A C2C Cl1A -171(100) 16_556 16_556
C2E C3A C2C Cl1A -134(100) 2_655 16_556
C2E C3A C2C Cl1A 35.2(3) 3_665 16_556
C2D C3A C2C Cl1A 6(100) 3_665 16_556
C2E C3A C2C Cl1A -35.2(3) . 16_556
C2D C3A C2C Cl1A -35.2(3) 2_655 16_556
C2D C3A C2C Cl1A 35.2(3) . 16_556
N2 C3A C2C Cl1A 180.001(4) . 16_556
C2C C3A C2C Cl1A -35.23(13) 3_665 16_556
C2C C3A C2C Cl1A 35.24(13) 2_655 16_556
C2B C3A C2C Cl1A 179(100) 17_656 16_556
C2E C3A C2C C3 37(100) 2_655 16_556
C2E C3A C2C C3 -153(100) 3_665 16_556
C2D C3A C2C C3 177(100) 3_665 16_556
C2E C3A C2C C3 136(100) . 16_556
C2D C3A C2C C3 136(100) 2_655 16_556
C2D C3A C2C C3 -153(100) . 16_556
N2 C3A C2C C3 -9(100) . 16_556
C2C C3A C2C C3 136(100) 3_665 16_556
C2C C3A C2C C3 -153(100) 2_655 16_556
C2B C3A C2C C3 -9(100) 17_656 16_556
C3 C3A C2C C2D -136(100) 16_556 2_655
C2E C3A C2C C2D -99(100) 2_655 2_655
C2E C3A C2C C2D 70.5(5) 3_665 2_655
C2D C3A C2C C2D 41(100) 3_665 2_655
C2E C3A C2C C2D 0.0(4) . 2_655
C2D C3A C2C C2D 70.5(6) . 2_655
N2 C3A C2C C2D -144.8(3) . 2_655
C2C C3A C2C C2D 0.0(4) 3_665 2_655
C2C C3A C2C C2D 70.5(3) 2_655 2_655
C2B C3A C2C C2D -145(100) 17_656 2_655
C3 C3A C2C C2B -136(100) 16_556 16_556
C2E C3A C2C C2B -99(100) 2_655 16_556
C2E C3A C2C C2B 70.5(5) 3_665 16_556
C2D C3A C2C C2B 41(100) 3_665 16_556
C2E C3A C2C C2B 0.0(4) . 16_556
C2D C3A C2C C2B 0.0(4) 2_655 16_556
C2D C3A C2C C2B 70.5(5) . 16_556
N2 C3A C2C C2B -144.8(3) . 16_556
C2C C3A C2C C2B 0.0(4) 3_665 16_556
C2C C3A C2C C2B 70.5(3) 2_655 16_556
C2B C3A C2C C2B -145(100) 17_656 16_556
C3 C3A C2C C2A -136(100) 16_556 17_656
C2E C3A C2C C2A -99(100) 2_655 17_656
C2E C3A C2C C2A 70.5(5) 3_665 17_656
C2D C3A C2C C2A 41(100) 3_665 17_656
C2E C3A C2C C2A 0.0(4) . 17_656
C2D C3A C2C C2A 0.0(4) 2_655 17_656
C2D C3A C2C C2A 70.5(5) . 17_656
N2 C3A C2C C2A -144.8(3) . 17_656
C2C C3A C2C C2A 0.0(4) 3_665 17_656
C2C C3A C2C C2A 70.5(3) 2_655 17_656
C2B C3A C2C C2A -145(100) 17_656 17_656
C3 C3A C2D C2E -13(100) 16_556 3_665
C2E C3A C2D C2E 134(100) 2_655 3_665
C2D C3A C2D C2E 134(100) 3_665 3_665
C2E C3A C2D C2E -156(100) . 3_665
C2D C3A C2D C2E -156(100) 2_655 3_665
N2 C3A C2D C2E -11(100) . 3_665
C2C C3A C2D C2E 134(100) . 3_665
C2C C3A C2D C2E -156(100) 3_665 3_665
C2C C3A C2D C2E 13(100) 2_655 3_665
C2B C3A C2D C2E 134(100) 17_656 3_665
C3 C3A C2D C2C -27(100) 16_556 2_655
C2E C3A C2D C2C 121(100) 2_655 2_655
C2E C3A C2D C2C -13(100) 3_665 2_655
C2D C3A C2D C2C 121(100) 3_665 2_655
C2E C3A C2D C2C -169(100) . 2_655
C2D C3A C2D C2C -169(100) 2_655 2_655
N2 C3A C2D C2C -24(100) . 2_655
C2C C3A C2D C2C 121(100) . 2_655
C2C C3A C2D C2C -169(100) 3_665 2_655
C2B C3A C2D C2C 121(100) 17_656 2_655
C3 C3A C2D C2B -3(100) 16_556 18_666
C2E C3A C2D C2B 145(100) 2_655 18_666
C2E C3A C2D C2B 11(100) 3_665 18_666
C2D C3A C2D C2B 145(100) 3_665 18_666
C2E C3A C2D C2B -145(100) . 18_666
C2D C3A C2D C2B -145(100) 2_655 18_666
N2 C3A C2D C2B 0(100) . 18_666
C2C C3A C2D C2B 145(100) . 18_666
C2C C3A C2D C2B -145(100) 3_665 18_666
C2C C3A C2D C2B 24(100) 2_655 18_666
C2B C3A C2D C2B 145(100) 17_656 18_666
C3 C3A C2D C2A -2(100) 16_556 16_556
C2E C3A C2D C2A 145(100) 2_655 16_556
C2E C3A C2D C2A 12(100) 3_665 16_556
C2D C3A C2D C2A 145(100) 3_665 16_556
C2E C3A C2D C2A -144(100) . 16_556
C2D C3A C2D C2A -144(100) 2_655 16_556
N2 C3A C2D C2A 1(100) . 16_556
C2C C3A C2D C2A 145(100) . 16_556
C2C C3A C2D C2A -144(100) 3_665 16_556
C2C C3A C2D C2A 25(100) 2_655 16_556
C2B C3A C2D C2A 145(100) 17_656 16_556
C3 C3A C2D C2 -2(100) 16_556 17_656
C2E C3A C2D C2 145(100) 2_655 17_656
C2E C3A C2D C2 11(100) 3_665 17_656
C2D C3A C2D C2 145(100) 3_665 17_656
C2E C3A C2D C2 -144(100) . 17_656
C2D C3A C2D C2 -144(100) 2_655 17_656
N2 C3A C2D C2 0(100) . 17_656
C2C C3A C2D C2 145(100) . 17_656
C2C C3A C2D C2 -144(100) 3_665 17_656
C2C C3A C2D C2 25(100) 2_655 17_656
C2B C3A C2D C2 145(100) 17_656 17_656
C3 C3A C2D Cl1 178(100) 16_556 .
C2E C3A C2D Cl1 -35.2(3) 2_655 .
C2E C3A C2D Cl1 -169(100) 3_665 .
C2D C3A C2D Cl1 -35.23(13) 3_665 .
C2E C3A C2D Cl1 35.2(3) . .
C2D C3A C2D Cl1 35.23(13) 2_655 .
C2C C3A C2D Cl1 -35.2(3) . .
C2C C3A C2D Cl1 35.2(3) 3_665 .
C2C C3A C2D Cl1 -156(100) 2_655 .
C2B C3A C2D Cl1 -35.2(3) 17_656 .
C3 C3A C2D Cl1A 178(100) 16_556 16_556
C2E C3A C2D Cl1A -35.2(3) 2_655 16_556
C2E C3A C2D Cl1A -169(100) 3_665 16_556
C2D C3A C2D Cl1A -35.23(13) 3_665 16_556
C2E C3A C2D Cl1A 35.2(3) . 16_556
C2D C3A C2D Cl1A 35.23(13) 2_655 16_556
C2C C3A C2D Cl1A -35.2(3) . 16_556
C2C C3A C2D Cl1A 35.2(3) 3_665 16_556
C2C C3A C2D Cl1A -156(100) 2_655 16_556
C2B C3A C2D Cl1A -35.2(3) 17_656 16_556
C2E C3A C2D C3 147(100) 2_655 16_556
C2E C3A C2D C3 13(100) 3_665 16_556
C2D C3A C2D C3 147(100) 3_665 16_556
C2E C3A C2D C3 -142(100) . 16_556
C2D C3A C2D C3 -142(100) 2_655 16_556
N2 C3A C2D C3 2(100) . 16_556
C2C C3A C2D C3 147(100) . 16_556
C2C C3A C2D C3 -142(100) 3_665 16_556
C2C C3A C2D C3 27(100) 2_655 16_556
C2B C3A C2D C3 147(100) 17_656 16_556
C3 C3A C2D C2D -147(100) 16_556 3_665
C2E C3A C2D C2D 0.0(4) 2_655 3_665
C2E C3A C2D C2D -134(100) 3_665 3_665
C2E C3A C2D C2D 70.5(3) . 3_665
C2D C3A C2D C2D 70.5(3) 2_655 3_665
N2 C3A C2D C2D -144.77(13) . 3_665
C2C C3A C2D C2D 0.0(4) . 3_665
C2C C3A C2D C2D 70.5(3) 3_665 3_665
C2C C3A C2D C2D -121(100) 2_655 3_665
C2B C3A C2D C2D 0.0(4) 17_656 3_665
C3 C3A C2D C2B -147(100) 16_556 17_656
C2E C3A C2D C2B 0.0(4) 2_655 17_656
C2E C3A C2D C2B -134(100) 3_665 17_656
C2D C3A C2D C2B 0.0(4) 3_665 17_656
C2E C3A C2D C2B 70.5(5) . 17_656
C2D C3A C2D C2B 70.5(3) 2_655 17_656
N2 C3A C2D C2B -144.8(3) . 17_656
C2C C3A C2D C2B 0.0(4) . 17_656
C2C C3A C2D C2B 70.5(5) 3_665 17_656
C2C C3A C2D C2B -121(100) 2_655 17_656
C3 C3A C2D C2A -147(100) 16_556 18_666
C2E C3A C2D C2A 0.0(4) 2_655 18_666
C2E C3A C2D C2A -134(100) 3_665 18_666
C2D C3A C2D C2A 0.0(4) 3_665 18_666
C2E C3A C2D C2A 70.5(5) . 18_666
C2D C3A C2D C2A 70.5(3) 2_655 18_666
N2 C3A C2D C2A -144.8(3) . 18_666
C2C C3A C2D C2A 0.0(4) . 18_666
C2C C3A C2D C2A 70.5(5) 3_665 18_666
C2C C3A C2D C2A -121(100) 2_655 18_666
C2B C3A C2D C2A 0.0(4) 17_656 18_666
C3 C3A C2E C2D 177(100) 16_556 2_655
C2E C3A C2E C2D 38(100) 2_655 2_655
C2E C3A C2E C2D -32(100) 3_665 2_655
C2D C3A C2E C2D 38(100) 3_665 2_655
C2D C3A C2E C2D -32(100) . 2_655
N2 C3A C2E C2D -177(100) . 2_655
C2C C3A C2E C2D 38(100) . 2_655
C2C C3A C2E C2D 30(100) 3_665 2_655
C2C C3A C2E C2D -32(100) 2_655 2_655
C2B C3A C2E C2D 38(100) 17_656 2_655
C3 C3A C2E C2C 146(100) 16_556 3_665
C2E C3A C2E C2C 8(100) 2_655 3_665
C2E C3A C2E C2C -63(100) 3_665 3_665
C2D C3A C2E C2C 8(100) 3_665 3_665
C2D C3A C2E C2C -30(100) 2_655 3_665
C2D C3A C2E C2C -63(100) . 3_665
N2 C3A C2E C2C 152(100) . 3_665
C2C C3A C2E C2C 8(100) . 3_665
C2C C3A C2E C2C -63(100) 2_655 3_665
C2B C3A C2E C2C 8(100) 17_656 3_665
C3 C3A C2E C2B -8(100) 16_556 16_556
C2E C3A C2E C2B -147(100) 2_655 16_556
C2E C3A C2E C2B 143(100) 3_665 16_556
C2D C3A C2E C2B -147(100) 3_665 16_556
C2D C3A C2E C2B 175(100) 2_655 16_556
C2D C3A C2E C2B 143(100) . 16_556
N2 C3A C2E C2B -2(100) . 16_556
C2C C3A C2E C2B -147(100) . 16_556
C2C C3A C2E C2B -154(100) 3_665 16_556
C2C C3A C2E C2B 143(100) 2_655 16_556
C2B C3A C2E C2B -147(100) 17_656 16_556
C3 C3A C2E C2A -7(100) 16_556 17_656
C2E C3A C2E C2A -146(100) 2_655 17_656
C2E C3A C2E C2A 144(100) 3_665 17_656
C2D C3A C2E C2A -146(100) 3_665 17_656
C2D C3A C2E C2A 176(100) 2_655 17_656
C2D C3A C2E C2A 144(100) . 17_656
N2 C3A C2E C2A -1(100) . 17_656
C2C C3A C2E C2A -146(100) . 17_656
C2C C3A C2E C2A -153(100) 3_665 17_656
C2C C3A C2E C2A 144(100) 2_655 17_656
C2B C3A C2E C2A -146(100) 17_656 17_656
C3 C3A C2E C2 -7(100) 16_556 18_666
C2E C3A C2E C2 -146(100) 2_655 18_666
C2E C3A C2E C2 144(100) 3_665 18_666
C2D C3A C2E C2 -146(100) 3_665 18_666
C2D C3A C2E C2 176(100) 2_655 18_666
C2D C3A C2E C2 144(100) . 18_666
N2 C3A C2E C2 -1(100) . 18_666
C2C C3A C2E C2 -146(100) . 18_666
C2C C3A C2E C2 -153(100) 3_665 18_666
C2C C3A C2E C2 144(100) 2_655 18_666
C2B C3A C2E C2 -146(100) 17_656 18_666
C3 C3A C2E Cl1 174(100) 16_556 .
C2E C3A C2E Cl1 35.24(13) 2_655 .
C2E C3A C2E Cl1 -35.23(13) 3_665 .
C2D C3A C2E Cl1 35.2(3) 3_665 .
C2D C3A C2E Cl1 -3(100) 2_655 .
C2D C3A C2E Cl1 -35.2(3) . .
C2C C3A C2E Cl1 35.2(3) . .
C2C C3A C2E Cl1 28(100) 3_665 .
C2C C3A C2E Cl1 -35.2(3) 2_655 .
C2B C3A C2E Cl1 35.2(3) 17_656 .
C3 C3A C2E Cl1A 174(100) 16_556 16_556
C2E C3A C2E Cl1A 35.24(13) 2_655 16_556
C2E C3A C2E Cl1A -35.24(13) 3_665 16_556
C2D C3A C2E Cl1A 35.2(3) 3_665 16_556
C2D C3A C2E Cl1A -3(100) 2_655 16_556
C2D C3A C2E Cl1A -35.2(3) . 16_556
C2C C3A C2E Cl1A 35.2(3) . 16_556
C2C C3A C2E Cl1A 28(100) 3_665 16_556
C2C C3A C2E Cl1A -35.2(3) 2_655 16_556
C2B C3A C2E Cl1A 35.2(3) 17_656 16_556
C2E C3A C2E C3 -139(100) 2_655 16_556
C2E C3A C2E C3 151(100) 3_665 16_556
C2D C3A C2E C3 -139(100) 3_665 16_556
C2D C3A C2E C3 -177(100) 2_655 16_556
C2D C3A C2E C3 151(100) . 16_556
N2 C3A C2E C3 6(100) . 16_556
C2C C3A C2E C3 -139(100) . 16_556
C2C C3A C2E C3 -146(100) 3_665 16_556
C2C C3A C2E C3 151(100) 2_655 16_556
C2B C3A C2E C3 -139(100) 17_656 16_556
C3 C3A C2E C2D 139(100) 16_556 3_665
C2E C3A C2E C2D 0.0(4) 2_655 3_665
C2E C3A C2E C2D -70.5(3) 3_665 3_665
C2D C3A C2E C2D -38(100) 2_655 3_665
C2D C3A C2E C2D -70.5(6) . 3_665
N2 C3A C2E C2D 144.8(3) . 3_665
C2C C3A C2E C2D 0.0(4) . 3_665
C2C C3A C2E C2D -8(100) 3_665 3_665
C2C C3A C2E C2D -70.5(5) 2_655 3_665
C2B C3A C2E C2D 0.0(4) 17_656 3_665
C3 C3A C2E C2B 139(100) 16_556 17_656
C2E C3A C2E C2B 0.0(4) 2_655 17_656
C2E C3A C2E C2B -70.5(3) 3_665 17_656
C2D C3A C2E C2B 0.0(4) 3_665 17_656
C2D C3A C2E C2B -38(100) 2_655 17_656
C2D C3A C2E C2B -70.5(5) . 17_656
N2 C3A C2E C2B 144.8(3) . 17_656
C2C C3A C2E C2B 0.0(4) . 17_656
C2C C3A C2E C2B -8(100) 3_665 17_656
C2C C3A C2E C2B -70.5(5) 2_655 17_656
C3 C3A C2E C2A 139(100) 16_556 18_666
C2E C3A C2E C2A 0.0(4) 2_655 18_666
C2E C3A C2E C2A -70.5(3) 3_665 18_666
C2D C3A C2E C2A 0.0(4) 3_665 18_666
C2D C3A C2E C2A -38(100) 2_655 18_666
C2D C3A C2E C2A -70.5(5) . 18_666
N2 C3A C2E C2A 144.8(3) . 18_666
C2C C3A C2E C2A 0.0(4) . 18_666
C2C C3A C2E C2A -8(100) 3_665 18_666
C2C C3A C2E C2A -70.5(5) 2_655 18_666
C2B C3A C2E C2A 0.0(4) 17_656 18_666
C3A N2 C4 C5 155(100) 16_556 3_665
C3A N2 C4 C5 -25(100) . 3_665
C3 N2 C4 C5 155(100) . 3_665
C3 N2 C4 C5 -25(100) 16_556 3_665
C6 N2 C4 C5 -115(100) . 3_665
C6 N2 C4 C5 -4(100) 2_655 3_665
C6 N2 C4 C5 65(100) 3_665 3_665
C5 N2 C4 C5 65(100) . 3_665
C5 N2 C4 C5 -115(100) 2_655 3_665
C4 N2 C4 C5 -115(100) 3_665 3_665
C3A N2 C4 C6 159(100) 16_556 2_655
C3A N2 C4 C6 -21(100) . 2_655
C3 N2 C4 C6 159(100) . 2_655
C3 N2 C4 C6 -21(100) 16_556 2_655
C6 N2 C4 C6 -111(100) . 2_655
C6 N2 C4 C6 69(100) 3_665 2_655
C5 N2 C4 C6 4(100) 3_665 2_655
C5 N2 C4 C6 69(100) . 2_655
C5 N2 C4 C6 -111(100) 2_655 2_655
C4 N2 C4 C6 -111(100) 3_665 2_655
C3A N2 C5 C4 -173.094(10) 16_556 2_655
C3A N2 C5 C4 6.907(10) . 2_655
C3 N2 C5 C4 -173.093(10) . 2_655
C3 N2 C5 C4 6.908(10) 16_556 2_655
C6 N2 C5 C4 96.907(10) . 2_655
C6 N2 C5 C4 -83.092(10) 2_655 2_655
C6 N2 C5 C4 -17(4) 3_665 2_655
C5 N2 C5 C4 -83.092(10) 3_665 2_655
C5 N2 C5 C4 96.906(10) 2_655 2_655
C4 N2 C5 C4 -83.093(10) . 2_655
C4 N2 C5 C4 96.906(10) 3_665 2_655
C3A N2 C5 C6 -156(4) 16_556 3_665
C3A N2 C5 C6 24(4) . 3_665
C3 N2 C5 C6 -156(4) . 3_665
C3 N2 C5 C6 24(4) 16_556 3_665
C6 N2 C5 C6 114(4) . 3_665
C6 N2 C5 C6 -66(4) 2_655 3_665
C5 N2 C5 C6 -66(4) 3_665 3_665
C5 N2 C5 C6 114(4) 2_655 3_665
C4 N2 C5 C6 -66(4) . 3_665
C4 N2 C5 C6 114(4) 3_665 3_665
C3A N2 C6 C5 126(100) 16_556 2_655
C3A N2 C6 C5 -54(100) . 2_655
C3 N2 C6 C5 126(100) . 2_655
C3 N2 C6 C5 -54(100) 16_556 2_655
C6 N2 C6 C5 36(100) 2_655 2_655
C6 N2 C6 C5 -144(100) 3_665 2_655
C5 N2 C6 C5 36(100) 3_665 2_655
C5 N2 C6 C5 -144(100) . 2_655
C4 N2 C6 C5 36(100) . 2_655
C4 N2 C6 C5 -45(100) 3_665 2_655
C3A N2 C6 C4 172(100) 16_556 3_665
C3A N2 C6 C4 -8(100) . 3_665
C3 N2 C6 C4 172(100) . 3_665
C3 N2 C6 C4 -8(100) 16_556 3_665
C6 N2 C6 C4 82(100) 2_655 3_665
C6 N2 C6 C4 -98(100) 3_665 3_665
C5 N2 C6 C4 82(100) 3_665 3_665
C5 N2 C6 C4 -98(100) . 3_665
C5 N2 C6 C4 45(100) 2_655 3_665
C4 N2 C6 C4 82(100) . 3_665
C2A C2 Cl1A Cl1 67(100) 3_665 16_556
C2B C2 Cl1A Cl1 161(100) 2_655 16_556
C2C C2 Cl1A Cl1 5(100) 16_556 16_556
C2D C2 Cl1A Cl1 7(100) 18_666 16_556
C2E C2 Cl1A Cl1 -3(100) 17_656 16_556
C3 C2 Cl1A Cl1 -177(100) . 16_556
C3A C2 Cl1A Cl1 -177(100) 16_556 16_556
C2B C2 Cl1A Cl1 -143(100) . 16_556
C2A C2 Cl1A Cl1 -143(100) 2_655 16_556
C2D C2 Cl1A Cl1 -143(100) 17_656 16_556
C2A C2 Cl1A C2 -150(100) 3_665 3_665
C2B C2 Cl1A C2 -56(100) 2_655 3_665
C2C C2 Cl1A C2 149(100) 16_556 3_665
C2D C2 Cl1A C2 150(100) 18_666 3_665
C2E C2 Cl1A C2 141(100) 17_656 3_665
Cl1 C2 Cl1A C2 143(100) 16_556 3_665
C3 C2 Cl1A C2 -33.71(10) . 3_665
C3A C2 Cl1A C2 -33.71(10) 16_556 3_665
C2B C2 Cl1A C2 0.0(3) . 3_665
C2A C2 Cl1A C2 0.0(3) 2_655 3_665
C2D C2 Cl1A C2 0.0(3) 17_656 3_665
C2B C2 Cl1A C2A 94(100) 2_655 3_665
C2C C2 Cl1A C2A -61(100) 16_556 3_665
C2D C2 Cl1A C2A -60(100) 18_666 3_665
C2E C2 Cl1A C2A -69(100) 17_656 3_665
Cl1 C2 Cl1A C2A -67(100) 16_556 3_665
C3 C2 Cl1A C2A 116(100) . 3_665
C3A C2 Cl1A C2A 116(100) 16_556 3_665
C2B C2 Cl1A C2A 150(100) . 3_665
C2A C2 Cl1A C2A 150(100) 2_655 3_665
C2D C2 Cl1A C2A 150(100) 17_656 3_665
C2A C2 Cl1A C2 -83(100) 3_665 2_655
C2B C2 Cl1A C2 12(100) 2_655 2_655
C2C C2 Cl1A C2 -144(100) 16_556 2_655
C2D C2 Cl1A C2 -143(100) 18_666 2_655
C2E C2 Cl1A C2 -152(100) 17_656 2_655
Cl1 C2 Cl1A C2 -149(100) 16_556 2_655
C3 C2 Cl1A C2 33.71(10) . 2_655
C3A C2 Cl1A C2 33.71(10) 16_556 2_655
C2B C2 Cl1A C2 67.4(2) . 2_655
C2A C2 Cl1A C2 67.4(2) 2_655 2_655
C2D C2 Cl1A C2 67.4(2) 17_656 2_655
C2A C2 Cl1A C2A -150(100) 3_665 2_655
C2B C2 Cl1A C2A -56(100) 2_655 2_655
C2C C2 Cl1A C2A 149(100) 16_556 2_655
C2D C2 Cl1A C2A 150(100) 18_666 2_655
C2E C2 Cl1A C2A 141(100) 17_656 2_655
Cl1 C2 Cl1A C2A 143(100) 16_556 2_655
C3 C2 Cl1A C2A -33.7(3) . 2_655
C3A C2 Cl1A C2A -33.7(3) 16_556 2_655
C2B C2 Cl1A C2A 0.0(3) . 2_655
C2D C2 Cl1A C2A 0.0(3) 17_656 2_655
C2A C2 Cl1A C2A -83(100) 3_665 .
C2B C2 Cl1A C2A 12(100) 2_655 .
C2C C2 Cl1A C2A -144(100) 16_556 .
C2D C2 Cl1A C2A -143(100) 18_666 .
C2E C2 Cl1A C2A -152(100) 17_656 .
Cl1 C2 Cl1A C2A -149(100) 16_556 .
C3 C2 Cl1A C2A 33.7(3) . .
C3A C2 Cl1A C2A 33.7(3) 16_556 .
C2B C2 Cl1A C2A 67.4(4) . .
C2A C2 Cl1A C2A 67.4(5) 2_655 .
C2D C2 Cl1A C2A 67.4(4) 17_656 .
C2A C2 Cl1A C2B -150(100) 3_665 .
C2B C2 Cl1A C2B -56(100) 2_655 .
C2C C2 Cl1A C2B 149(100) 16_556 .
C2D C2 Cl1A C2B 150(100) 18_666 .
C2E C2 Cl1A C2B 141(100) 17_656 .
Cl1 C2 Cl1A C2B 143(100) 16_556 .
C3 C2 Cl1A C2B -33.7(3) . .
C3A C2 Cl1A C2B -33.7(3) 16_556 .
C2A C2 Cl1A C2B 0.0(3) 2_655 .
C2D C2 Cl1A C2B 0.0(3) 17_656 .
C2A C2 Cl1A C2B -94(100) 3_665 2_655
C2C C2 Cl1A C2B -156(100) 16_556 2_655
C2D C2 Cl1A C2B -154(100) 18_666 2_655
C2E C2 Cl1A C2B -164(100) 17_656 2_655
Cl1 C2 Cl1A C2B -161(100) 16_556 2_655
C3 C2 Cl1A C2B 22(100) . 2_655
C3A C2 Cl1A C2B 22(100) 16_556 2_655
C2B C2 Cl1A C2B 56(100) . 2_655
C2A C2 Cl1A C2B 56(100) 2_655 2_655
C2D C2 Cl1A C2B 56(100) 17_656 2_655
C2A C2 Cl1A C2B -83(100) 3_665 3_665
C2B C2 Cl1A C2B 12(100) 2_655 3_665
C2C C2 Cl1A C2B -144(100) 16_556 3_665
C2D C2 Cl1A C2B -143(100) 18_666 3_665
C2E C2 Cl1A C2B -152(100) 17_656 3_665
Cl1 C2 Cl1A C2B -149(100) 16_556 3_665
C3 C2 Cl1A C2B 33.7(3) . 3_665
C3A C2 Cl1A C2B 33.7(3) 16_556 3_665
C2B C2 Cl1A C2B 67.4(5) . 3_665
C2A C2 Cl1A C2B 67.4(4) 2_655 3_665
C2D C2 Cl1A C2B 67.4(4) 17_656 3_665
C2A C2 Cl1A C2D 60(100) 3_665 18_666
C2B C2 Cl1A C2D 154(100) 2_655 18_666
C2C C2 Cl1A C2D -1(100) 16_556 18_666
C2E C2 Cl1A C2D -9(100) 17_656 18_666
Cl1 C2 Cl1A C2D -7(100) 16_556 18_666
C3 C2 Cl1A C2D 176(100) . 18_666
C3A C2 Cl1A C2D 176(100) 16_556 18_666
C2B C2 Cl1A C2D -150(100) . 18_666
C2A C2 Cl1A C2D -150(100) 2_655 18_666
C2D C2 Cl1A C2D -150(100) 17_656 18_666
C2A C2 Cl1A C2D -150(100) 3_665 17_656
C2B C2 Cl1A C2D -56(100) 2_655 17_656
C2C C2 Cl1A C2D 149(100) 16_556 17_656
C2D C2 Cl1A C2D 150(100) 18_666 17_656
C2E C2 Cl1A C2D 141(100) 17_656 17_656
Cl1 C2 Cl1A C2D 143(100) 16_556 17_656
C3 C2 Cl1A C2D -33.7(3) . 17_656
C3A C2 Cl1A C2D -33.7(3) 16_556 17_656
C2B C2 Cl1A C2D 0.0(3) . 17_656
C2A C2 Cl1A C2D 0.0(3) 2_655 17_656
C2B C2A Cl1A Cl1 -158(100) 3_665 16_556
C2 C2A Cl1A Cl1 31(100) 2_655 16_556
C2D C2A Cl1A Cl1 1(100) 16_556 16_556
C2C C2A Cl1A Cl1 -11(100) 17_656 16_556
C2E C2A Cl1A Cl1 -8(100) 18_666 16_556
C3 C2A Cl1A Cl1 179(100) . 16_556
C3A C2A Cl1A Cl1 179(100) 16_556 16_556
C2A C2A Cl1A Cl1 -147(100) 3_665 16_556
C2B C2A Cl1A Cl1 -147(100) 2_655 16_556
C2D C2A Cl1A Cl1 -147(100) 18_666 16_556
C2B C2A Cl1A C2 -11(100) 3_665 .
C2 C2A Cl1A C2 178(100) 2_655 .
C2D C2A Cl1A C2 148(100) 16_556 .
C2C C2A Cl1A C2 136(100) 17_656 .
C2E C2A Cl1A C2 139(100) 18_666 .
Cl1 C2A Cl1A C2 147(100) 16_556 .
C3 C2A Cl1A C2 -33.7(3) . .
C3A C2A Cl1A C2 -33.7(3) 16_556 .
C2A C2A Cl1A C2 0.0(3) 3_665 .
C2B C2A Cl1A C2 0.0(3) 2_655 .
C2D C2A Cl1A C2 0.0(3) 18_666 .
C2B C2A Cl1A C2 56(100) 3_665 3_665
C2 C2A Cl1A C2 -115(100) 2_655 3_665
C2D C2A Cl1A C2 -145(100) 16_556 3_665
C2C C2A Cl1A C2 -157(100) 17_656 3_665
C2E C2A Cl1A C2 -153(100) 18_666 3_665
Cl1 C2A Cl1A C2 -145(100) 16_556 3_665
C3 C2A Cl1A C2 33.7(3) . 3_665
C3A C2A Cl1A C2 33.7(3) 16_556 3_665
C2A C2A Cl1A C2 67.4(2) 3_665 3_665
C2B C2A Cl1A C2 67.4(4) 2_655 3_665
C2D C2A Cl1A C2 67.4(4) 18_666 3_665
C2B C2A Cl1A C2A -11(100) 3_665 3_665
C2 C2A Cl1A C2A 178(100) 2_655 3_665
C2D C2A Cl1A C2A 148(100) 16_556 3_665
C2C C2A Cl1A C2A 136(100) 17_656 3_665
C2E C2A Cl1A C2A 139(100) 18_666 3_665
Cl1 C2A Cl1A C2A 147(100) 16_556 3_665
C3 C2A Cl1A C2A -33.71(10) . 3_665
C3A C2A Cl1A C2A -33.71(9) 16_556 3_665
C2B C2A Cl1A C2A 0.0(3) 2_655 3_665
C2D C2A Cl1A C2A 0.0(3) 18_666 3_665
C2B C2A Cl1A C2 171(100) 3_665 2_655
C2D C2A Cl1A C2 -30(100) 16_556 2_655
C2C C2A Cl1A C2 -42(100) 17_656 2_655
C2E C2A Cl1A C2 -39(100) 18_666 2_655
Cl1 C2A Cl1A C2 -31(100) 16_556 2_655
C3 C2A Cl1A C2 149(100) . 2_655
C3A C2A Cl1A C2 149(100) 16_556 2_655
C2A C2A Cl1A C2 -178(100) 3_665 2_655
C2B C2A Cl1A C2 -178(100) 2_655 2_655
C2D C2A Cl1A C2 -178(100) 18_666 2_655
C2B C2A Cl1A C2A 56(100) 3_665 2_655
C2 C2A Cl1A C2A -115(100) 2_655 2_655
C2D C2A Cl1A C2A -145(100) 16_556 2_655
C2C C2A Cl1A C2A -157(100) 17_656 2_655
C2E C2A Cl1A C2A -153(100) 18_666 2_655
Cl1 C2A Cl1A C2A -145(100) 16_556 2_655
C3 C2A Cl1A C2A 33.71(10) . 2_655
C3A C2A Cl1A C2A 33.71(10) 16_556 2_655
C2A C2A Cl1A C2A 67.42(19) 3_665 2_655
C2B C2A Cl1A C2A 67.4(2) 2_655 2_655
C2D C2A Cl1A C2A 67.4(2) 18_666 2_655
C2B C2A Cl1A C2B 56(100) 3_665 .
C2 C2A Cl1A C2B -115(100) 2_655 .
C2D C2A Cl1A C2B -145(100) 16_556 .
C2C C2A Cl1A C2B -157(100) 17_656 .
C2E C2A Cl1A C2B -153(100) 18_666 .
Cl1 C2A Cl1A C2B -145(100) 16_556 .
C3 C2A Cl1A C2B 33.7(3) . .
C3A C2A Cl1A C2B 33.7(3) 16_556 .
C2A C2A Cl1A C2B 67.4(2) 3_665 .
C2B C2A Cl1A C2B 67.4(5) 2_655 .
C2D C2A Cl1A C2B 67.4(4) 18_666 .
C2B C2A Cl1A C2B -11(100) 3_665 2_655
C2 C2A Cl1A C2B 178(100) 2_655 2_655
C2D C2A Cl1A C2B 148(100) 16_556 2_655
C2C C2A Cl1A C2B 136(100) 17_656 2_655
C2E C2A Cl1A C2B 139(100) 18_666 2_655
Cl1 C2A Cl1A C2B 147(100) 16_556 2_655
C3 C2A Cl1A C2B -33.7(3) . 2_655
C3A C2A Cl1A C2B -33.7(3) 16_556 2_655
C2A C2A Cl1A C2B 0.0(3) 3_665 2_655
C2D C2A Cl1A C2B 0.0(3) 18_666 2_655
C2 C2A Cl1A C2B -171(100) 2_655 3_665
C2D C2A Cl1A C2B 159(100) 16_556 3_665
C2C C2A Cl1A C2B 147(100) 17_656 3_665
C2E C2A Cl1A C2B 150(100) 18_666 3_665
Cl1 C2A Cl1A C2B 158(100) 16_556 3_665
C3 C2A Cl1A C2B -23(100) . 3_665
C3A C2A Cl1A C2B -23(100) 16_556 3_665
C2A C2A Cl1A C2B 11(100) 3_665 3_665
C2B C2A Cl1A C2B 11(100) 2_655 3_665
C2D C2A Cl1A C2B 11(100) 18_666 3_665
C2B C2A Cl1A C2D -11(100) 3_665 18_666
C2 C2A Cl1A C2D 178(100) 2_655 18_666
C2D C2A Cl1A C2D 148(100) 16_556 18_666
C2C C2A Cl1A C2D 136(100) 17_656 18_666
C2E C2A Cl1A C2D 139(100) 18_666 18_666
Cl1 C2A Cl1A C2D 147(100) 16_556 18_666
C3 C2A Cl1A C2D -33.7(3) . 18_666
C3A C2A Cl1A C2D -33.7(3) 16_556 18_666
C2A C2A Cl1A C2D 0.0(3) 3_665 18_666
C2B C2A Cl1A C2D 0.0(3) 2_655 18_666
C2B C2A Cl1A C2D 56(100) 3_665 17_656
C2 C2A Cl1A C2D -115(100) 2_655 17_656
C2D C2A Cl1A C2D -145(100) 16_556 17_656
C2C C2A Cl1A C2D -157(100) 17_656 17_656
C2E C2A Cl1A C2D -153(100) 18_666 17_656
Cl1 C2A Cl1A C2D -145(100) 16_556 17_656
C3 C2A Cl1A C2D 33.7(3) . 17_656
C3A C2A Cl1A C2D 33.7(3) 16_556 17_656
C2A C2A Cl1A C2D 67.4(2) 3_665 17_656
C2B C2A Cl1A C2D 67.4(4) 2_655 17_656
C2D C2A Cl1A C2D 67.4(5) 18_666 17_656
C2A C2B Cl1A Cl1 -34(100) 2_655 16_556
C2 C2B Cl1A Cl1 -61(100) 3_665 16_556
C2D C2B Cl1A Cl1 -4(100) 17_656 16_556
C2E C2B Cl1A Cl1 6(100) 16_556 16_556
C2C C2B Cl1A Cl1 6(100) 18_666 16_556
C3 C2B Cl1A Cl1 178(100) . 16_556
C3A C2B Cl1A Cl1 178(100) 16_556 16_556
C2B C2B Cl1A Cl1 144(100) 2_655 16_556
C2A C2B Cl1A Cl1 144(100) 3_665 16_556
C2D C2B Cl1A Cl1 144(100) 18_666 16_556
C2A C2B Cl1A C2 -179(100) 2_655 .
C2 C2B Cl1A C2 155(100) 3_665 .
C2D C2B Cl1A C2 -148(100) 17_656 .
C2E C2B Cl1A C2 -138(100) 16_556 .
C2C C2B Cl1A C2 -138(100) 18_666 .
Cl1 C2B Cl1A C2 -144(100) 16_556 .
C3 C2B Cl1A C2 33.7(3) . .
C3A C2B Cl1A C2 33.7(3) 16_556 .
C2B C2B Cl1A C2 0.0(3) 2_655 .
C2A C2B Cl1A C2 0.0(3) 3_665 .
C2D C2B Cl1A C2 0.0(3) 18_666 .
C2A C2B Cl1A C2 27(100) 2_655 3_665
C2D C2B Cl1A C2 57(100) 17_656 3_665
C2E C2B Cl1A C2 68(100) 16_556 3_665
C2C C2B Cl1A C2 67(100) 18_666 3_665
Cl1 C2B Cl1A C2 61(100) 16_556 3_665
C3 C2B Cl1A C2 -121(100) . 3_665
C3A C2B Cl1A C2 -121(100) 16_556 3_665
C2B C2B Cl1A C2 -155(100) 2_655 3_665
C2A C2B Cl1A C2 -155(100) 3_665 3_665
C2D C2B Cl1A C2 -155(100) 18_666 3_665
C2A C2B Cl1A C2A -179(100) 2_655 3_665
C2 C2B Cl1A C2A 155(100) 3_665 3_665
C2D C2B Cl1A C2A -148(100) 17_656 3_665
C2E C2B Cl1A C2A -138(100) 16_556 3_665
C2C C2B Cl1A C2A -138(100) 18_666 3_665
Cl1 C2B Cl1A C2A -144(100) 16_556 3_665
C3 C2B Cl1A C2A 33.7(3) . 3_665
C3A C2B Cl1A C2A 33.7(3) 16_556 3_665
C2B C2B Cl1A C2A 0.0(3) 2_655 3_665
C2D C2B Cl1A C2A 0.0(3) 18_666 3_665
C2A C2B Cl1A C2 114(100) 2_655 2_655
C2 C2B Cl1A C2 87(100) 3_665 2_655
C2D C2B Cl1A C2 144(100) 17_656 2_655
C2E C2B Cl1A C2 155(100) 16_556 2_655
C2C C2B Cl1A C2 154(100) 18_666 2_655
Cl1 C2B Cl1A C2 149(100) 16_556 2_655
C3 C2B Cl1A C2 -33.7(3) . 2_655
C3A C2B Cl1A C2 -33.7(3) 16_556 2_655
C2B C2B Cl1A C2 -67.4(2) 2_655 2_655
C2A C2B Cl1A C2 -67.4(4) 3_665 2_655
C2D C2B Cl1A C2 -67.4(4) 18_666 2_655
C2 C2B Cl1A C2A -27(100) 3_665 2_655
C2D C2B Cl1A C2A 30(100) 17_656 2_655
C2E C2B Cl1A C2A 41(100) 16_556 2_655
C2C C2B Cl1A C2A 40(100) 18_666 2_655
Cl1 C2B Cl1A C2A 34(100) 16_556 2_655
C3 C2B Cl1A C2A -148(100) . 2_655
C3A C2B Cl1A C2A -148(100) 16_556 2_655
C2B C2B Cl1A C2A 179(100) 2_655 2_655
C2A C2B Cl1A C2A 179(100) 3_665 2_655
C2D C2B Cl1A C2A 179(100) 18_666 2_655
C2A C2B Cl1A C2A 114(100) 2_655 .
C2 C2B Cl1A C2A 87(100) 3_665 .
C2D C2B Cl1A C2A 144(100) 17_656 .
C2E C2B Cl1A C2A 155(100) 16_556 .
C2C C2B Cl1A C2A 154(100) 18_666 .
Cl1 C2B Cl1A C2A 149(100) 16_556 .
C3 C2B Cl1A C2A -33.7(3) . .
C3A C2B Cl1A C2A -33.7(3) 16_556 .
C2B C2B Cl1A C2A -67.4(2) 2_655 .
C2A C2B Cl1A C2A -67.4(5) 3_665 .
C2D C2B Cl1A C2A -67.4(4) 18_666 .
C2A C2B Cl1A C2B -179(100) 2_655 2_655
C2 C2B Cl1A C2B 155(100) 3_665 2_655
C2D C2B Cl1A C2B -148(100) 17_656 2_655
C2E C2B Cl1A C2B -138(100) 16_556 2_655
C2C C2B Cl1A C2B -138(100) 18_666 2_655
Cl1 C2B Cl1A C2B -144(100) 16_556 2_655
C3 C2B Cl1A C2B 33.71(10) . 2_655
C3A C2B Cl1A C2B 33.71(10) 16_556 2_655
C2A C2B Cl1A C2B 0.0(3) 3_665 2_655
C2D C2B Cl1A C2B 0.0(3) 18_666 2_655
C2A C2B Cl1A C2B 114(100) 2_655 3_665
C2 C2B Cl1A C2B 87(100) 3_665 3_665
C2D C2B Cl1A C2B 144(100) 17_656 3_665
C2E C2B Cl1A C2B 155(100) 16_556 3_665
C2C C2B Cl1A C2B 154(100) 18_666 3_665
Cl1 C2B Cl1A C2B 149(100) 16_556 3_665
C3 C2B Cl1A C2B -33.71(10) . 3_665
C3A C2B Cl1A C2B -33.71(10) 16_556 3_665
C2B C2B Cl1A C2B -67.41(19) 2_655 3_665
C2A C2B Cl1A C2B -67.4(2) 3_665 3_665
C2D C2B Cl1A C2B -67.4(2) 18_666 3_665
C2A C2B Cl1A C2D -179(100) 2_655 18_666
C2 C2B Cl1A C2D 155(100) 3_665 18_666
C2D C2B Cl1A C2D -148(100) 17_656 18_666
C2E C2B Cl1A C2D -138(100) 16_556 18_666
C2C C2B Cl1A C2D -138(100) 18_666 18_666
Cl1 C2B Cl1A C2D -144(100) 16_556 18_666
C3 C2B Cl1A C2D 33.7(3) . 18_666
C3A C2B Cl1A C2D 33.7(3) 16_556 18_666
C2B C2B Cl1A C2D 0.0(3) 2_655 18_666
C2A C2B Cl1A C2D 0.0(3) 3_665 18_666
C2A C2B Cl1A C2D -30(100) 2_655 17_656
C2 C2B Cl1A C2D -57(100) 3_665 17_656
C2E C2B Cl1A C2D 10(100) 16_556 17_656
C2C C2B Cl1A C2D 10(100) 18_666 17_656
Cl1 C2B Cl1A C2D 4(100) 16_556 17_656
C3 C2B Cl1A C2D -178(100) . 17_656
C3A C2B Cl1A C2D -178(100) 16_556 17_656
C2B C2B Cl1A C2D 148(100) 2_655 17_656
C2A C2B Cl1A C2D 148(100) 3_665 17_656
C2D C2B Cl1A C2D 148(100) 18_666 17_656
