 
data_Cl_360K 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C10 H17 Cd Cl N4 S3' 
_chemical_formula_weight          437.32 
 
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' 
 
_symmetry_cell_setting            'hexagonal'
_symmetry_space_group_name_H-M    'P 63/m m c' 
_symmetry_space_group_name_HALL   '-P 6c 2c'

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' 
 
_cell_length_a                    9.7644(14) 
_cell_length_b                    9.7644(14) 
_cell_length_c                    10.8126(15) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 120.00 
_cell_volume                      892.8(3) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     360(2) 
_cell_measurement_reflns_used     173 
_cell_measurement_theta_min       3.06
_cell_measurement_theta_max       30.14 
 
_exptl_crystal_description        columnar 
_exptl_crystal_colour             colorless  
_exptl_crystal_size_max           0.20	
_exptl_crystal_size_mid           0.20 
_exptl_crystal_size_min           0.20 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.563 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              402 
_exptl_absorpt_coefficient_mu     1.713 
_exptl_absorpt_correction_type    'Multi-scan'  
_exptl_absorpt_correction_T_min   0.710 
_exptl_absorpt_correction_T_max   0.717
_exptl_absorpt_process_details    ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       360(2)
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method        'ω scans'
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             3905 
_diffrn_reflns_av_R_equivalents   0.0359 
_diffrn_reflns_av_sigmaI/netI     0.0258 
_diffrn_reflns_limit_h_min        -7 
_diffrn_reflns_limit_h_max        13 
_diffrn_reflns_limit_k_min        -13 
_diffrn_reflns_limit_k_max        8 
_diffrn_reflns_limit_l_min        -15 
_diffrn_reflns_limit_l_max        11 
_diffrn_reflns_theta_min          3.06 
_diffrn_reflns_theta_max          30.14 
_reflns_number_total              476 
_reflns_number_gt                 173 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
 
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc  
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0000P)²+3.0000P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    ?
_refine_ls_hydrogen_treatment     ?
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          476 
_refine_ls_number_parameters      75 
_refine_ls_number_restraints      228 
_refine_ls_R_factor_all           0.2315 
_refine_ls_R_factor_gt            0.1876 
_refine_ls_wR_factor_ref          0.3811 
_refine_ls_wR_factor_gt           0.3751 
_refine_ls_goodness_of_fit_ref    1.519 
_refine_ls_restrained_S_all       1.173 
_refine_ls_shift/su_max           0.019 
_refine_ls_shift/su_mean          0.002 
 
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_symmetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
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 . . 
 
 
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
 
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
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_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 
 _geom_angle_publ_flag 
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_torsion_atom_site_label_1 
 _geom_torsion_atom_site_label_2 
 _geom_torsion_atom_site_label_3 
 _geom_torsion_atom_site_label_4 
 _geom_torsion 
 _geom_torsion_site_symmetry_1 
 _geom_torsion_site_symmetry_2 
 _geom_torsion_site_symmetry_3 
 _geom_torsion_site_symmetry_4 
 _geom_torsion_publ_flag 
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 ? 
 
_diffrn_measured_fraction_theta_max    0.975 
_diffrn_reflns_theta_full              30.14 
_diffrn_measured_fraction_theta_full   0.975 
_refine_diff_density_max    0.939 
_refine_diff_density_min   -1.269 
_refine_diff_density_rms    0.191 

# start Validation Reply Form
_vrf_PLAT043_Cl_360K
;
PROBLEM: Calculated and Reported Mol. Weight Differ by ..      34.28 Check 
RESPONSE: Owing to the atoms are in a disordered state at 360K, no hydrogen 
atoms are added. No hydrogen atoms cause the deviation of the calculated value 
from the reported value.
;
_vrf_PLAT082_Cl_360K 
;
PROBLEM: High R1 Value ..................................       0.19 Report
RESPONSE: The thermal vibrations of all atoms are intense and the data quality 
is not good at 360K.
;
_vrf_PLAT084_Cl_360K 
;
PROBLEM: High wR2 Value (i.e. > 0.25) ...................       0.38 Report
RESPONSE: The thermal vibrations of all atoms are intense and the data quality 
is not good at 360K. High R1 value results in the high wR2 value.
;
_vrf_PLAT088_Cl_360K 
;
PROBLEM: Poor Data / Parameter Ratio ....................       7.21 Note  
RESPONSE: The thermal vibrations of all atoms are intense and the data quality 
is not good at 360K.
;
# end Validation Reply Form