#------------------------------------------------------------------------------
#$Date: 2021-01-02 17:14:07 +0200 (Sat, 02 Jan 2021) $
#$Revision: 260371 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/03/89/4038952.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4038952
loop_
_publ_author_name
'Langis-Barsetti, Sophie'
'Maris, Thierry'
'Wuest, James D.'
_publ_section_title
;
 Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.
;
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              5034
_journal_page_last               5045
_journal_paper_doi               10.1021/acs.joc.6b02778
_journal_volume                  82
_journal_year                    2017
_chemical_formula_moiety         '2(C20 H8 N6 S3), C3 S6, 1(C70)'
_chemical_formula_sum            'C113 H16 N12 S12'
_chemical_formula_weight         1926.07
_chemical_name_systematic
;
bis(6,16,25-trithia-5,7,15,17,24,26-hexaazaoctacyclo
[9.9.9.02,10.04,8.012,20.014,18.021,29.023,27]nonacosa
-2(10),3,8,12(20),13,18,21(29),22,27-nonaene) 
C70 fullerene carbon disulfide solvate
;
_space_group_crystal_system      cubic
_space_group_IT_number           205
_space_group_name_Hall           '-P 2ac 2ab 3'
_space_group_name_H-M_alt        'P a -3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2016-10-31
_audit_creation_method
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.5040(3)
_cell_length_b                   19.5040(3)
_cell_length_c                   19.5040(3)
_cell_measurement_reflns_used    9917
_cell_measurement_temperature    100
_cell_measurement_theta_max      60.642
_cell_measurement_theta_min      3.416
_cell_volume                     7419.4(2)
_computing_cell_refinement
;
SAINT (2013) V8.34A; Integration Software for Single Crystal Data.
Bruker AXS Inc., Madison, WI 53719-1173.
;
_computing_data_collection
;
APEX 2 (2013) Bruker AXS Inc., Madison, WI 53719-1173.
;
_computing_data_reduction
;
SAINT (2013) V8.34A; Integration Software for Single Crystal Data.
Bruker AXS Inc., Madison, WI 53719-1173.
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100
_diffrn_detector                 'CMOS Area detector'
_diffrn_detector_area_resol_mean 10.24
_diffrn_detector_type            'Bruker Photon 100 CMOS Detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'k-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker Venture Metaljet'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_collimation    'Focusing mirrors'
_diffrn_radiation_monochromator  'Helios MX Mirror Optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_reflns_av_R_equivalents  0.0348
_diffrn_reflns_av_unetI/netI     0.0086
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            77875
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         60.610
_diffrn_reflns_theta_min         3.415
_diffrn_source                   'Metal Jet'
_diffrn_source_target            Ga
_diffrn_source_type              'Gallium Liquid Metal Jet Source'
_exptl_absorpt_coefficient_mu    2.521
_exptl_absorpt_correction_T_max  0.3404
_exptl_absorpt_correction_T_min  0.2600
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1281 before and 0.0488 after correction.
The Ratio of minimum to maximum transmission is 0.7638.
The λ/2 correction factor is 0.00150.
;
_exptl_crystal_colour            'dull dark brown'
_exptl_crystal_colour_lustre     dull
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.724
_exptl_crystal_description       block
_exptl_crystal_F_000             3880
_exptl_crystal_recrystallization_method 'Crystallized in CS2'
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.839
_refine_diff_density_min         -0.563
_refine_diff_density_rms         0.076
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.208
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     958
_refine_ls_number_reflns         2853
_refine_ls_number_restraints     3396
_refine_ls_restrained_S_all      0.808
_refine_ls_R_factor_all          0.0686
_refine_ls_R_factor_gt           0.0641
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0970P)²+10.7014P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1724
_refine_ls_wR_factor_ref         0.1774
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2584
_reflns_number_total             2853
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            jo6b02778_si_009.cif
_cod_data_source_block           jw1813
_cod_original_cell_volume        7419.4(3)
_cod_database_code               4038952
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, -y, z+1/2'
3 '-x, y+1/2, -z+1/2'
4 'x+1/2, -y+1/2, -z'
5 'z, x, y'
6 'z+1/2, -x+1/2, -y'
7 '-z+1/2, -x, y+1/2'
8 '-z, x+1/2, -y+1/2'
9 'y, z, x'
10 '-y, z+1/2, -x+1/2'
11 'y+1/2, -z+1/2, -x'
12 '-y+1/2, -z, x+1/2'
13 '-x, -y, -z'
14 'x-1/2, y, -z-1/2'
15 'x, -y-1/2, z-1/2'
16 '-x-1/2, y-1/2, z'
17 '-z, -x, -y'
18 '-z-1/2, x-1/2, y'
19 'z-1/2, x, -y-1/2'
20 'z, -x-1/2, y-1/2'
21 '-y, -z, -x'
22 'y, -z-1/2, x-1/2'
23 '-y-1/2, z-1/2, x'
24 'y-1/2, z, -x-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
S1 S 0.60499(4) 0.23615(5) 0.21564(5) 0.0579(4) Uani 1 1 d . U . . .
N1 N 0.52519(14) 0.21873(15) 0.20134(14) 0.0444(6) Uani 1 1 d . U . . .
N2 N 0.59887(13) 0.29381(17) 0.27478(17) 0.0527(7) Uani 1 1 d . U . . .
C1 C 0.31284(12) 0.31284(12) 0.31284(12) 0.0211(6) Uani 1 3 d S TU P . .
H1 H 0.283239 0.283238 0.283238 0.025 Uiso 1 3 calc RS T P . .
C2 C 0.38917(12) 0.30398(12) 0.29788(12) 0.0229(5) Uani 1 1 d . U . . .
C3 C 0.41630(13) 0.26071(12) 0.24996(13) 0.0266(5) Uani 1 1 d . U . . .
H3 H 0.387894 0.233112 0.221598 0.032 Uiso 1 1 calc R . . . .
C4 C 0.48905(14) 0.25884(14) 0.24443(15) 0.0331(5) Uani 1 1 d . U . . .
C5 C 0.53114(14) 0.30191(17) 0.28669(17) 0.0393(5) Uani 1 1 d . U . . .
C6 C 0.50166(14) 0.34648(17) 0.33542(17) 0.0390(6) Uani 1 1 d . U . . .
H6 H 0.529216 0.375251 0.363446 0.047 Uiso 1 1 calc R . . . .
C7 C 0.43153(13) 0.34652(14) 0.34062(14) 0.0306(5) Uani 1 1 d . U . . .
C8 C 0.39009(14) 0.39009(14) 0.39009(14) 0.0352(8) Uani 1 3 d S TU P . .
H8 H 0.419689 0.419689 0.419689 0.042 Uiso 1 3 calc RS T P . .
C9 C 0.5111(4) 0.1061(4) 0.0950(4) 0.0522(16) Uani 0.5 1 d . U . . .
S2 S 0.45673(7) 0.06330(7) 0.14405(6) 0.0734(4) Uani 1 1 d . U . . .
C1A C 0.5423(4) -0.1644(4) 0.6023(4) 0.027(2) Uani 0.0833 1 d . U . A -1
C2A C 0.5669(3) -0.1170(4) 0.6465(4) 0.029(2) Uani 0.0833 1 d G U . A -1
C3A C 0.5203(4) -0.0772(5) 0.6891(3) 0.031(2) Uani 0.0833 1 d G U . A -1
C4A C 0.4480(4) -0.0926(5) 0.6846(3) 0.033(2) Uani 0.0833 1 d G U . A -1
C5A C 0.4262(4) -0.1443(4) 0.6394(4) 0.029(2) Uani 0.0833 1 d G U . A -1
C6A C 0.4698(4) -0.1808(3) 0.5967(4) 0.0293(19) Uani 0.0833 1 d G U . A -1
C7A C 0.5413(4) -0.0093(5) 0.6930(3) 0.032(2) Uani 0.0833 1 d G U . A -1
C8A C 0.4968(5) 0.0443(5) 0.6931(3) 0.033(2) Uani 0.0833 1 d G U . A -1
C9A C 0.4230(4) 0.0305(5) 0.6877(3) 0.033(2) Uani 0.0833 1 d G U . A -1
C10A C 0.4006(4) -0.0375(5) 0.6846(3) 0.034(2) Uani 0.0833 1 d G U . A -1
C11A C 0.3462(3) -0.0543(5) 0.6374(4) 0.033(2) Uani 0.0833 1 d G U . A -1
C12A C 0.3603(3) -0.1191(4) 0.6094(4) 0.032(2) Uani 0.0833 1 d G U . A -1
C13A C 0.4540(4) -0.1933(3) 0.5255(5) 0.028(2) Uani 0.0833 1 d G U . A -1
C14A C 0.3941(4) -0.1707(3) 0.4981(4) 0.030(2) Uani 0.0833 1 d G U . A -1
C15A C 0.3457(3) -0.1334(4) 0.5399(4) 0.031(2) Uani 0.0833 1 d G U . A -1
C16A C 0.3168(3) -0.0806(5) 0.4963(4) 0.0294(19) Uani 0.0833 1 d G U . A -1
C17A C 0.3018(2) -0.0182(5) 0.5246(4) 0.031(2) Uani 0.0833 1 d G U . A -1
C18A C 0.3162(3) -0.0021(5) 0.5948(4) 0.032(2) Uani 0.0833 1 d G U . A -1
C19A C 0.3423(4) 0.0676(4) 0.5989(4) 0.033(2) Uani 0.0833 1 d G U . A -1
C20A C 0.3951(4) 0.0836(4) 0.6446(4) 0.033(2) Uani 0.0833 1 d G U . A -1
C21A C 0.6044(4) -0.0038(5) 0.6542(3) 0.028(2) Uani 0.0833 1 d G U . A -1
C22A C 0.6210(4) 0.0578(5) 0.6181(4) 0.031(2) Uani 0.0833 1 d G U . A -1
C23A C 0.6662(3) 0.0507(4) 0.5617(4) 0.030(2) Uani 0.0833 1 d G U . A -1
C24A C 0.6825(2) -0.0151(4) 0.5340(4) 0.030(2) Uani 0.0833 1 d G U . A -1
C25A C 0.6531(3) -0.0756(4) 0.5617(4) 0.028(2) Uani 0.0833 1 d G U . A -1
C26A C 0.6278(3) -0.1280(3) 0.5140(5) 0.026(2) Uani 0.0833 1 d G U . A -1
C27A C 0.5736(4) -0.1709(3) 0.5336(5) 0.027(2) Uani 0.0833 1 d G U . A -1
C28A C 0.6931(3) -0.0075(4) 0.4610(5) 0.030(2) Uani 0.0833 1 d G U . A -1
C29A C 0.6199(3) -0.0698(5) 0.6252(4) 0.030(2) Uani 0.0833 1 d G U . A -1
C30A C 0.5183(4) -0.1892(3) 0.4871(5) 0.028(2) Uani 0.0833 1 d G U . A -1
C31A C 0.5188(5) -0.1644(3) 0.4190(4) 0.027(2) Uani 0.0833 1 d G U . A -1
C32A C 0.5803(4) -0.1346(3) 0.3954(4) 0.027(2) Uani 0.0833 1 d G U . A -1
C33A C 0.6348(4) -0.1177(3) 0.4416(5) 0.029(2) Uani 0.0833 1 d G U . A -1
C34A C 0.6686(3) -0.0576(4) 0.4160(4) 0.030(2) Uani 0.0833 1 d G U . A -1
C35A C 0.6371(4) -0.0368(4) 0.3523(4) 0.029(2) Uani 0.0833 1 d G U . A -1
C36A C 0.5836(4) -0.0851(4) 0.3404(4) 0.031(2) Uani 0.0833 1 d G U . A -1
C37A C 0.6302(4) 0.0318(4) 0.3364(4) 0.032(2) Uani 0.0833 1 d G U . A -1
C38A C 0.6543(3) 0.0841(4) 0.3823(4) 0.031(2) Uani 0.0833 1 d G U . A -1
C39A C 0.6863(3) 0.0639(4) 0.4437(5) 0.033(2) Uani 0.0833 1 d G U . A -1
C40A C 0.6685(3) 0.1001(4) 0.5052(5) 0.032(2) Uani 0.0833 1 d G U . A -1
C41A C 0.6241(4) 0.1535(3) 0.5055(5) 0.033(2) Uani 0.0833 1 d G U . A -1
C42A C 0.5910(4) 0.1726(3) 0.4426(5) 0.033(2) Uani 0.0833 1 d G U . A -1
C43A C 0.6069(4) 0.1397(3) 0.3822(4) 0.034(2) Uani 0.0833 1 d G U . A -1
C44A C 0.5534(4) 0.1216(4) 0.3336(4) 0.033(2) Uani 0.0833 1 d G U . A -1
C45A C 0.4835(4) 0.1400(4) 0.3512(4) 0.033(2) Uani 0.0833 1 d G U . A -1
C46A C 0.4315(4) 0.0927(5) 0.3382(3) 0.032(2) Uani 0.0833 1 d G U . A -1
C47A C 0.4434(4) 0.0287(5) 0.3112(3) 0.031(2) Uani 0.0833 1 d G U . A -1
C48A C 0.5147(4) 0.0091(5) 0.2948(3) 0.032(2) Uani 0.0833 1 d G U . A -1
C49A C 0.5663(4) 0.0558(4) 0.3057(3) 0.0329(19) Uani 0.0833 1 d G U . A -1
C50A C 0.5211(5) -0.0608(4) 0.3118(3) 0.030(2) Uani 0.0833 1 d G U . A -1
C51A C 0.4570(5) -0.0890(4) 0.3383(3) 0.030(2) Uani 0.0833 1 d G U . A -1
C52A C 0.4100(4) -0.0316(5) 0.3376(3) 0.030(2) Uani 0.0833 1 d G U . A -1
C53A C 0.4525(5) -0.1399(4) 0.3887(4) 0.028(2) Uani 0.0833 1 d G U . A -1
C54A C 0.3939(4) -0.1408(4) 0.4284(4) 0.030(2) Uani 0.0833 1 d G U . A -1
C55A C 0.3479(3) -0.0852(4) 0.4276(4) 0.029(2) Uani 0.0833 1 d G U . A -1
C56A C 0.3570(3) -0.0273(5) 0.3882(3) 0.028(2) Uani 0.0833 1 d G U . A -1
C57A C 0.3419(3) 0.0403(5) 0.4177(4) 0.029(2) Uani 0.0833 1 d G U . A -1
C58A C 0.3787(3) 0.0981(4) 0.3936(4) 0.029(2) Uani 0.0833 1 d G U . A -1
C59A C 0.4042(4) 0.1491(4) 0.4394(4) 0.029(2) Uani 0.0833 1 d G U . A -1
C60A C 0.4692(4) 0.1750(3) 0.4127(5) 0.032(2) Uani 0.0833 1 d G U . A -1
C61A C 0.5213(4) 0.1914(3) 0.4595(5) 0.032(2) Uani 0.0833 1 d G U . A -1
C62A C 0.5102(5) 0.1837(3) 0.5326(5) 0.032(2) Uani 0.0833 1 d G U . A -1
C63A C 0.5739(4) 0.1136(4) 0.6180(4) 0.031(2) Uani 0.0833 1 d G U . A -1
C64A C 0.4465(4) 0.1622(3) 0.5598(4) 0.030(2) Uani 0.0833 1 d G U . A -1
C65A C 0.3898(4) 0.1448(3) 0.5101(4) 0.030(2) Uani 0.0833 1 d G U . A -1
C66A C 0.3180(3) 0.0438(5) 0.4849(4) 0.0292(19) Uani 0.0833 1 d G U . A -1
C67A C 0.3399(3) 0.0950(4) 0.5315(4) 0.030(2) Uani 0.0833 1 d G U . A -1
C68A C 0.4483(5) 0.1291(4) 0.6220(4) 0.032(2) Uani 0.0833 1 d G U . A -1
C69A C 0.5103(5) 0.1057(4) 0.6524(3) 0.032(2) Uani 0.0833 1 d G U . A -1
C70A C 0.5738(4) 0.1596(3) 0.5617(4) 0.033(2) Uani 0.0833 1 d G U . A -1
C1B C 0.4928(8) -0.1963(3) 0.5161(7) 0.026(2) Uani 0.0833 1 d . U . B -2
C2B C 0.5334(5) -0.1827(4) 0.5708(8) 0.025(2) Uani 0.0833 1 d G U . B -2
C3B C 0.5041(4) -0.1554(6) 0.6338(6) 0.026(2) Uani 0.0833 1 d G U . B -2
C4B C 0.4306(4) -0.1466(5) 0.6364(4) 0.027(2) Uani 0.0833 1 d G U . B -2
C5B C 0.3914(5) -0.1641(4) 0.5786(5) 0.028(2) Uani 0.0833 1 d G U . B -2
C6B C 0.4189(7) -0.1878(4) 0.5175(5) 0.025(2) Uani 0.0833 1 d G U . B -2
C7B C 0.5463(5) -0.1053(8) 0.6614(6) 0.026(2) Uani 0.0833 1 d G U . B -2
C8B C 0.5218(8) -0.0476(8) 0.6920(4) 0.028(2) Uani 0.0833 1 d G U . B -2
C9B C 0.4474(8) -0.0367(6) 0.6948(3) 0.029(2) Uani 0.0833 1 d G U . B -2
C10B C 0.4039(6) -0.0867(5) 0.6678(4) 0.029(2) Uani 0.0833 1 d G U . B -2
C11B C 0.3452(5) -0.0648(5) 0.6286(6) 0.030(2) Uani 0.0833 1 d G U . B -2
C12B C 0.3362(4) -0.1111(6) 0.5743(6) 0.027(2) Uani 0.0833 1 d G U . B -2
C13B C 0.3971(9) -0.1619(6) 0.4517(5) 0.027(2) Uani 0.0833 1 d G U . B -2
C14B C 0.3467(7) -0.1140(8) 0.4476(6) 0.026(2) Uani 0.0833 1 d G U . B -2
C15B C 0.3149(4) -0.0878(8) 0.5091(7) 0.027(2) Uani 0.0833 1 d G U . B -2
C16B C 0.3031(3) -0.0155(9) 0.4974(9) 0.027(2) Uani 0.0833 1 d G U . B -2
C17B C 0.3105(4) 0.0289(7) 0.5512(10) 0.0294(19) Uani 0.0833 1 d G U . B -2
C18B C 0.3321(6) 0.0070(6) 0.6178(8) 0.032(2) Uani 0.0833 1 d G U . B -2
C19B C 0.3798(9) 0.0571(5) 0.6457(8) 0.030(2) Uani 0.0833 1 d G U . B -2
C20B C 0.4367(10) 0.0356(6) 0.6834(5) 0.029(2) Uani 0.0833 1 d G U . B -2
C21B C 0.6061(4) -0.1004(8) 0.6178(8) 0.024(2) Uani 0.0833 1 d G U . B -2
C22B C 0.6406(5) -0.0365(9) 0.6081(8) 0.023(2) Uani 0.0833 1 d G U . B -2
C23B C 0.6786(3) -0.0295(9) 0.5467(9) 0.024(2) Uani 0.0833 1 d G U . B -2
C24B C 0.6714(4) -0.0773(7) 0.4917(10) 0.0244(19) Uani 0.0833 1 d G U . B -2
C25B C 0.6249(6) -0.1331(6) 0.4966(10) 0.025(2) Uani 0.0833 1 d G U . B -2
C26B C 0.5820(9) -0.1491(4) 0.4370(9) 0.025(2) Uani 0.0833 1 d G U . B -2
C27B C 0.5176(10) -0.1795(3) 0.4465(7) 0.024(2) Uani 0.0833 1 d G U . B -2
C28B C 0.6809(5) -0.0409(6) 0.4279(10) 0.025(2) Uani 0.0833 1 d G U . B -2
C29B C 0.5980(5) -0.1477(6) 0.5618(9) 0.024(2) Uani 0.0833 1 d G U . B -2
C30B C 0.4575(10) -0.1589(6) 0.4074(5) 0.025(2) Uani 0.0833 1 d G U . B -2
C31B C 0.4634(11) -0.1072(7) 0.3569(4) 0.024(2) Uani 0.0833 1 d G U . B -2
C32B C 0.5303(11) -0.0882(6) 0.3371(5) 0.026(2) Uani 0.0833 1 d G U . B -2
C33B C 0.5891(10) -0.1096(4) 0.3754(8) 0.024(2) Uani 0.0833 1 d G U . B -2
C34B C 0.6395(8) -0.0564(5) 0.3715(8) 0.026(2) Uani 0.0833 1 d G U . B -2
C35B C 0.6141(8) -0.0013(5) 0.3290(6) 0.027(2) Uani 0.0833 1 d G U . B -2
C36B C 0.5473(10) -0.0223(6) 0.3080(4) 0.027(2) Uani 0.0833 1 d G U . B -2
C37B C 0.6294(6) 0.0660(5) 0.3445(5) 0.029(2) Uani 0.0833 1 d G U . B -2
C38B C 0.6711(4) 0.0831(6) 0.4027(7) 0.028(2) Uani 0.0833 1 d G U . B -2
C39B C 0.6972(3) 0.0294(7) 0.4432(9) 0.026(2) Uani 0.0833 1 d G U . B -2
C40B C 0.6947(3) 0.0373(9) 0.5163(9) 0.0261(19) Uani 0.0833 1 d G U . B -2
C41B C 0.6701(6) 0.0947(8) 0.5467(7) 0.029(2) Uani 0.0833 1 d G U . B -2
C42B C 0.6427(7) 0.1484(6) 0.5047(5) 0.031(2) Uani 0.0833 1 d G U . B -2
C43B C 0.6444(5) 0.1434(5) 0.4342(5) 0.030(2) Uani 0.0834 1 d G U . B -2
C44B C 0.5861(5) 0.1646(4) 0.3932(5) 0.030(2) Uani 0.0834 1 d G U . B -2
C45B C 0.5268(6) 0.1916(3) 0.4292(7) 0.030(2) Uani 0.0834 1 d G U . B -2
C46B C 0.4618(5) 0.1716(5) 0.4074(8) 0.030(2) Uani 0.0834 1 d G U . B -2
C47B C 0.4510(5) 0.1261(7) 0.3547(7) 0.028(2) Uani 0.0833 1 d G U . B -2
C48B C 0.5112(6) 0.0972(7) 0.3190(4) 0.029(2) Uani 0.0833 1 d G U . B -2
C49B C 0.5757(5) 0.1178(5) 0.3387(4) 0.030(2) Uani 0.0833 1 d G U . B -2
C50B C 0.4951(8) 0.0284(8) 0.3039(3) 0.028(2) Uani 0.0833 1 d G U . B -2
C51B C 0.4265(8) 0.0102(9) 0.3275(5) 0.025(2) Uani 0.0833 1 d G U . B -2
C52B C 0.4007(5) 0.0722(9) 0.3592(7) 0.026(2) Uani 0.0833 1 d G U . B -2
C53B C 0.4076(9) -0.0545(9) 0.3522(4) 0.025(2) Uani 0.0833 1 d G U . B -2
C54B C 0.3535(7) -0.0572(9) 0.3977(6) 0.025(2) Uani 0.0833 1 d G U . B -2
C55B C 0.3282(4) 0.0031(9) 0.4285(9) 0.026(2) Uani 0.0833 1 d G U . B -2
C56B C 0.3543(3) 0.0676(9) 0.4158(9) 0.026(2) Uani 0.0833 1 d G U . B -2
C57B C 0.3632(5) 0.1158(7) 0.4729(10) 0.027(2) Uani 0.0833 1 d G U . B -2
C58B C 0.4159(6) 0.1657(5) 0.4686(10) 0.029(2) Uani 0.0834 1 d G U . B -2
C59B C 0.4584(9) 0.1812(3) 0.5259(8) 0.030(2) Uani 0.0834 1 d G U . B -2
C60B C 0.5272(9) 0.1975(3) 0.5011(7) 0.032(2) Uani 0.0834 1 d G U . B -2
C61B C 0.5837(9) 0.1759(5) 0.5402(5) 0.031(2) Uani 0.0833 1 d G U . B -2
C62B C 0.5736(10) 0.1394(7) 0.6042(4) 0.030(2) Uani 0.0833 1 d G U . B -2
C63B C 0.6143(8) 0.0239(9) 0.6397(5) 0.025(2) Uani 0.0833 1 d G U . B -2
C64B C 0.5075(11) 0.1265(6) 0.6311(5) 0.028(2) Uani 0.0833 1 d G U . B -2
C65B C 0.4463(10) 0.1497(4) 0.5898(8) 0.029(2) Uani 0.0833 1 d G U . B -2
C66B C 0.3445(6) 0.0950(6) 0.5385(10) 0.029(2) Uani 0.0833 1 d G U . B -2
C67B C 0.3838(9) 0.1114(5) 0.5973(9) 0.030(2) Uani 0.0833 1 d G U . B -2
C68B C 0.5009(11) 0.0698(7) 0.6725(4) 0.028(2) Uani 0.0833 1 d G U . B -2
C69B C 0.5530(9) 0.0192(8) 0.6786(3) 0.026(2) Uani 0.0833 1 d G U . B -2
C70B C 0.6269(9) 0.0885(9) 0.6086(5) 0.026(2) Uani 0.0833 1 d G U . B -2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0140 0.0070 '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 0.0250 0.0140 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2920 0.4250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N2 S1 N1 101.44(15) . .
C4 N1 S1 105.9(3) . .
C5 N2 S1 106.1(3) . .
C2 C1 H1 112.8 5 .
C2 C1 H1 112.8 . .
C2 C1 H1 112.8 9 .
C2 C1 C2 105.97(19) 9 5
C2 C1 C2 105.97(19) 5 .
C2 C1 C2 105.97(19) 9 .
C3 C2 C1 125.3(3) . .
C3 C2 C7 122.1(2) . .
C7 C2 C1 112.6(2) . .
C2 C3 H3 121.5 . .
C2 C3 C4 117.0(3) . .
C4 C3 H3 121.5 . .
N1 C4 C3 125.7(3) . .
N1 C4 C5 113.5(3) . .
C3 C4 C5 120.8(3) . .
N2 C5 C4 113.1(3) . .
N2 C5 C6 125.9(3) . .
C6 C5 C4 121.0(2) . .
C5 C6 H6 121.4 . .
C7 C6 C5 117.2(3) . .
C7 C6 H6 121.4 . .
C2 C7 C8 112.7(3) . .
C6 C7 C2 122.0(3) . .
C6 C7 C8 125.3(3) . .
C7 C8 C7 106.3(2) 9 5
C7 C8 C7 106.3(2) 5 .
C7 C8 C7 106.3(2) 9 .
C7 C8 H8 112.5 9 .
C7 C8 H8 112.5 5 .
C7 C8 H8 112.5 . .
S2 C9 S2 176.3(6) 24_656 .
C9 S2 C9 116.9(5) 18_655 .
C2A C1A C6A 122.9 . .
C2A C1A C27A 119.3 . .
C6A C1A C27A 108.4 . .
C1A C2A C3A 120.4 . .
C1A C2A C29A 120.5 . .
C29A C2A C3A 105.7 . .
C4A C3A C2A 117.6 . .
C7A C3A C2A 110.8 . .
C7A C3A C4A 119.3 . .
C5A C4A C3A 118.9 . .
C5A C4A C10A 110.3 . .
C10A C4A C3A 118.7 . .
C4A C5A C12A 105.7 . .
C6A C5A C4A 124.0 . .
C6A C5A C12A 117.5 . .
C5A C6A C1A 116.0 . .
C5A C6A C13A 122.2 . .
C13A C6A C1A 108.4 . .
C3A C7A C21A 107.1 . .
C8A C7A C3A 123.0 . .
C8A C7A C21A 119.2 . .
C7A C8A C9A 119.0 . .
C7A C8A C69A 120.9 . .
C69A C8A C9A 106.8 . .
C10A C9A C8A 119.0 . .
C10A C9A C20A 122.5 . .
C20A C9A C8A 106.3 . .
C4A C10A C11A 107.9 . .
C9A C10A C4A 121.0 . .
C9A C10A C11A 118.3 . .
C12A C11A C10A 108.0 . .
C12A C11A C18A 119.5 . .
C18A C11A C10A 120.4 . .
C11A C12A C5A 108.1 . .
C11A C12A C15A 120.7 . .
C15A C12A C5A 119.0 . .
C6A C13A C30A 107.5 . .
C14A C13A C6A 120.5 . .
C14A C13A C30A 121.3 . .
C13A C14A C15A 120.3 . .
C13A C14A C54A 119.4 . .
C15A C14A C54A 108.6 . .
C12A C15A C14A 120.5 . .
C12A C15A C16A 120.1 . .
C14A C15A C16A 106.4 . .
C15A C16A C55A 109.2 . .
C17A C16A C15A 118.6 . .
C17A C16A C55A 120.6 . .
C16A C17A C18A 122.7 . .
C16A C17A C66A 118.3 . .
C18A C17A C66A 106.3 . .
C11A C18A C19A 119.1 . .
C17A C18A C11A 118.4 . .
C17A C18A C19A 109.1 . .
C20A C19A C18A 120.2 . .
C20A C19A C67A 122.1 . .
C67A C19A C18A 106.7 . .
C19A C20A C9A 119.4 . .
C19A C20A C68A 118.4 . .
C68A C20A C9A 110.5 . .
C22A C21A C7A 120.8 . .
C22A C21A C29A 120.7 . .
C29A C21A C7A 108.5 . .
C23A C22A C21A 116.2 . .
C23A C22A C63A 118.4 . .
C63A C22A C21A 119.7 . .
C22A C23A C24A 121.4 . .
C22A C23A C40A 122.6 . .
C24A C23A C40A 107.4 . .
C23A C24A C28A 108.2 . .
C25A C24A C23A 120.9 . .
C25A C24A C28A 121.2 . .
C24A C25A C26A 118.3 . .
C29A C25A C24A 117.2 . .
C29A C25A C26A 117.3 . .
C27A C26A C25A 119.9 . .
C27A C26A C33A 115.1 . .
C33A C26A C25A 119.6 . .
C26A C27A C1A 120.5 . .
C26A C27A C30A 122.5 . .
C30A C27A C1A 106.2 . .
C34A C28A C24A 119.9 . .
C34A C28A C39A 119.8 . .
C39A C28A C24A 108.5 . .
C21A C29A C2A 107.9 . .
C25A C29A C2A 122.2 . .
C25A C29A C21A 121.0 . .
C27A C30A C13A 109.3 . .
C31A C30A C13A 120.3 . .
C31A C30A C27A 119.8 . .
C30A C31A C53A 118.3 . .
C32A C31A C30A 116.9 . .
C32A C31A C53A 118.3 . .
C31A C32A C33A 121.4 . .
C31A C32A C36A 123.7 . .
C33A C32A C36A 106.3 . .
C32A C33A C26A 121.1 . .
C32A C33A C34A 108.1 . .
C34A C33A C26A 120.0 . .
C28A C34A C33A 120.7 . .
C28A C34A C35A 119.3 . .
C33A C34A C35A 109.5 . .
C36A C35A C34A 105.4 . .
C37A C35A C34A 120.5 . .
C37A C35A C36A 122.2 . .
C35A C36A C32A 110.7 . .
C50A C36A C32A 118.4 . .
C50A C36A C35A 118.1 . .
C35A C37A C38A 121.1 . .
C35A C37A C49A 119.1 . .
C38A C37A C49A 107.9 . .
C39A C38A C37A 118.5 . .
C39A C38A C43A 120.1 . .
C43A C38A C37A 109.1 . .
C38A C39A C28A 120.8 . .
C38A C39A C40A 117.8 . .
C40A C39A C28A 107.6 . .
C39A C40A C23A 108.3 . .
C41A C40A C23A 118.9 . .
C41A C40A C39A 122.4 . .
C40A C41A C42A 119.0 . .
C40A C41A C70A 119.4 . .
C42A C41A C70A 108.4 . .
C41A C42A C61A 107.1 . .
C43A C42A C41A 120.6 . .
C43A C42A C61A 121.6 . .
C38A C43A C44A 106.4 . .
C42A C43A C38A 119.9 . .
C42A C43A C44A 120.7 . .
C45A C44A C43A 117.4 . .
C49A C44A C43A 110.0 . .
C49A C44A C45A 118.8 . .
C46A C45A C44A 118.4 . .
C46A C45A C60A 109.4 . .
C60A C45A C44A 120.5 . .
C45A C46A C58A 108.9 . .
C47A C46A C45A 123.3 . .
C47A C46A C58A 117.1 . .
C46A C47A C48A 118.4 . .
C46A C47A C52A 122.0 . .
C52A C47A C48A 107.0 . .
C49A C48A C47A 119.0 . .
C49A C48A C50A 122.7 . .
C50A C48A C47A 106.5 . .
C44A C49A C37A 106.6 . .
C48A C49A C37A 118.4 . .
C48A C49A C44A 122.0 . .
C36A C50A C51A 118.1 . .
C48A C50A C36A 119.4 . .
C48A C50A C51A 111.8 . .
C52A C51A C50A 104.4 . .
C53A C51A C50A 124.6 . .
C53A C51A C52A 121.0 . .
C47A C52A C51A 110.4 . .
C56A C52A C47A 121.7 . .
C56A C52A C51A 119.8 . .
C51A C53A C31A 116.7 . .
C54A C53A C31A 119.3 . .
C54A C53A C51A 117.1 . .
C53A C54A C14A 121.2 . .
C53A C54A C55A 120.7 . .
C55A C54A C14A 108.4 . .
C54A C55A C16A 107.5 . .
C56A C55A C16A 120.6 . .
C56A C55A C54A 123.8 . .
C52A C56A C57A 117.9 . .
C55A C56A C52A 115.4 . .
C55A C56A C57A 119.5 . .
C58A C57A C56A 118.8 . .
C66A C57A C56A 118.7 . .
C66A C57A C58A 116.3 . .
C57A C58A C46A 122.2 . .
C57A C58A C59A 121.5 . .
C59A C58A C46A 105.1 . .
C58A C59A C60A 108.7 . .
C65A C59A C58A 120.2 . .
C65A C59A C60A 122.9 . .
C45A C60A C59A 107.9 . .
C61A C60A C45A 121.4 . .
C61A C60A C59A 118.4 . .
C42A C61A C62A 109.8 . .
C60A C61A C42A 118.4 . .
C60A C61A C62A 120.5 . .
C64A C62A C61A 122.1 . .
C64A C62A C70A 120.8 . .
C70A C62A C61A 106.9 . .
C69A C63A C22A 118.7 . .
C69A C63A C70A 115.7 . .
C70A C63A C22A 119.1 . .
C62A C64A C65A 118.0 . .
C68A C64A C62A 116.5 . .
C68A C64A C65A 118.7 . .
C59A C65A C64A 118.0 . .
C59A C65A C67A 117.3 . .
C67A C65A C64A 117.5 . .
C57A C66A C17A 121.8 . .
C57A C66A C67A 122.5 . .
C67A C66A C17A 107.8 . .
C19A C67A C65A 120.0 . .
C66A C67A C19A 109.9 . .
C66A C67A C65A 119.7 . .
C64A C68A C20A 122.8 . .
C64A C68A C69A 122.6 . .
C69A C68A C20A 106.8 . .
C63A C69A C8A 120.3 . .
C63A C69A C68A 120.9 . .
C68A C69A C8A 109.6 . .
C62A C70A C41A 107.8 . .
C63A C70A C41A 121.5 . .
C63A C70A C62A 120.8 . .
C2B C1B C6B 122.9 . .
C2B C1B C27B 119.3 . .
C6B C1B C27B 108.4 . .
C1B C2B C3B 120.5 . .
C1B C2B C29B 120.5 . .
C29B C2B C3B 105.8 . .
C4B C3B C2B 117.6 . .
C7B C3B C2B 110.7 . .
C7B C3B C4B 119.3 . .
C5B C4B C3B 118.8 . .
C5B C4B C10B 110.2 . .
C10B C4B C3B 118.7 . .
C4B C5B C12B 105.7 . .
C6B C5B C4B 124.1 . .
C6B C5B C12B 117.4 . .
C5B C6B C1B 116.0 . .
C5B C6B C13B 122.3 . .
C13B C6B C1B 108.4 . .
C3B C7B C21B 107.2 . .
C8B C7B C3B 123.0 . .
C8B C7B C21B 119.1 . .
C7B C8B C9B 119.0 . .
C7B C8B C69B 120.8 . .
C69B C8B C9B 106.9 . .
C10B C9B C8B 119.0 . .
C10B C9B C20B 122.4 . .
C20B C9B C8B 106.2 . .
C4B C10B C11B 107.9 . .
C9B C10B C4B 120.9 . .
C9B C10B C11B 118.4 . .
C12B C11B C10B 108.1 . .
C12B C11B C18B 119.5 . .
C18B C11B C10B 120.5 . .
C11B C12B C5B 108.1 . .
C11B C12B C15B 120.7 . .
C15B C12B C5B 119.0 . .
C6B C13B C30B 107.5 . .
C14B C13B C6B 120.4 . .
C14B C13B C30B 121.3 . .
C13B C14B C15B 120.3 . .
C13B C14B C54B 119.3 . .
C15B C14B C54B 108.6 . .
C12B C15B C14B 120.5 . .
C12B C15B C16B 120.1 . .
C14B C15B C16B 106.4 . .
C15B C16B C55B 109.2 . .
C17B C16B C15B 118.6 . .
C17B C16B C55B 120.5 . .
C16B C17B C18B 122.6 . .
C16B C17B C66B 118.3 . .
C18B C17B C66B 106.4 . .
C11B C18B C19B 119.1 . .
C17B C18B C11B 118.4 . .
C17B C18B C19B 109.0 . .
C20B C19B C18B 120.2 . .
C20B C19B C67B 122.1 . .
C67B C19B C18B 106.7 . .
C19B C20B C9B 119.4 . .
C19B C20B C68B 118.4 . .
C68B C20B C9B 110.5 . .
C22B C21B C7B 120.9 . .
C22B C21B C29B 120.7 . .
C29B C21B C7B 108.5 . .
C23B C22B C21B 116.2 . .
C23B C22B C63B 118.4 . .
C63B C22B C21B 119.7 . .
C22B C23B C24B 121.4 . .
C22B C23B C40B 122.6 . .
C24B C23B C40B 107.4 . .
C23B C24B C28B 108.2 . .
C25B C24B C23B 120.9 . .
C25B C24B C28B 121.1 . .
C24B C25B C26B 118.3 . .
C29B C25B C24B 117.1 . .
C29B C25B C26B 117.4 . .
C27B C26B C25B 119.9 . .
C27B C26B C33B 115.1 . .
C33B C26B C25B 119.6 . .
C26B C27B C1B 120.5 . .
C26B C27B C30B 122.5 . .
C30B C27B C1B 106.2 . .
C34B C28B C24B 119.9 . .
C34B C28B C39B 119.9 . .
C39B C28B C24B 108.5 . .
C21B C29B C2B 107.8 . .
C25B C29B C2B 122.2 . .
C25B C29B C21B 121.1 . .
C27B C30B C13B 109.3 . .
C31B C30B C13B 120.3 . .
C31B C30B C27B 119.8 . .
C30B C31B C53B 118.2 . .
C32B C31B C30B 116.9 . .
C32B C31B C53B 118.4 . .
C31B C32B C33B 121.5 . .
C31B C32B C36B 123.7 . .
C33B C32B C36B 106.3 . .
C32B C33B C26B 121.1 . .
C32B C33B C34B 108.1 . .
C34B C33B C26B 120.1 . .
C28B C34B C33B 120.7 . .
C28B C34B C35B 119.3 . .
C33B C34B C35B 109.5 . .
C36B C35B C34B 105.3 . .
C37B C35B C34B 120.5 . .
C37B C35B C36B 122.3 . .
C35B C36B C32B 110.7 . .
C50B C36B C32B 118.4 . .
C50B C36B C35B 118.1 . .
C35B C37B C38B 121.1 . .
C35B C37B C49B 119.1 . .
C38B C37B C49B 107.9 . .
C39B C38B C37B 118.5 . .
C39B C38B C43B 120.2 . .
C43B C38B C37B 109.0 . .
C38B C39B C28B 120.7 . .
C38B C39B C40B 117.8 . .
C40B C39B C28B 107.6 . .
C39B C40B C23B 108.3 . .
C41B C40B C23B 118.9 . .
C41B C40B C39B 122.4 . .
C40B C41B C42B 119.0 . .
C40B C41B C70B 119.4 . .
C42B C41B C70B 108.3 . .
C41B C42B C61B 107.1 . .
C43B C42B C41B 120.6 . .
C43B C42B C61B 121.5 . .
C38B C43B C44B 106.5 . .
C42B C43B C38B 119.9 . .
C42B C43B C44B 120.8 . .
C43B C44B C45B 117.4 . .
C49B C44B C43B 110.0 . .
C49B C44B C45B 118.9 . .
C46B C45B C44B 118.4 . .
C46B C45B C60B 109.4 . .
C60B C45B C44B 120.5 . .
C45B C46B C58B 108.8 . .
C47B C46B C45B 123.3 . .
C47B C46B C58B 117.1 . .
C46B C47B C48B 118.4 . .
C46B C47B C52B 122.0 . .
C52B C47B C48B 107.0 . .
C49B C48B C47B 119.0 . .
C49B C48B C50B 122.7 . .
C50B C48B C47B 106.6 . .
C44B C49B C37B 106.6 . .
C48B C49B C37B 118.4 . .
C48B C49B C44B 122.0 . .
C36B C50B C51B 118.0 . .
C48B C50B C36B 119.4 . .
C48B C50B C51B 111.7 . .
C52B C51B C50B 104.5 . .
C53B C51B C50B 124.7 . .
C53B C51B C52B 121.0 . .
C47B C52B C51B 110.3 . .
C56B C52B C47B 121.6 . .
C56B C52B C51B 119.8 . .
C51B C53B C31B 116.6 . .
C54B C53B C31B 119.3 . .
C54B C53B C51B 117.1 . .
C53B C54B C14B 121.3 . .
C53B C54B C55B 120.7 . .
C55B C54B C14B 108.3 . .
C54B C55B C16B 107.5 . .
C56B C55B C16B 120.6 . .
C56B C55B C54B 123.8 . .
C52B C56B C57B 118.0 . .
C55B C56B C52B 115.4 . .
C55B C56B C57B 119.4 . .
C58B C57B C56B 118.7 . .
C66B C57B C56B 118.8 . .
C66B C57B C58B 116.3 . .
C57B C58B C46B 122.2 . .
C57B C58B C59B 121.4 . .
C59B C58B C46B 105.1 . .
C58B C59B C60B 108.7 . .
C65B C59B C58B 120.2 . .
C65B C59B C60B 122.8 . .
C45B C60B C59B 107.9 . .
C61B C60B C45B 121.4 . .
C61B C60B C59B 118.4 . .
C42B C61B C62B 109.7 . .
C60B C61B C42B 118.5 . .
C60B C61B C62B 120.5 . .
C64B C62B C61B 122.0 . .
C64B C62B C70B 120.9 . .
C70B C62B C61B 106.9 . .
C69B C63B C22B 118.7 . .
C69B C63B C70B 115.6 . .
C70B C63B C22B 119.1 . .
C62B C64B C65B 118.1 . .
C68B C64B C62B 116.5 . .
C68B C64B C65B 118.7 . .
C59B C65B C64B 118.0 . .
C59B C65B C67B 117.3 . .
C67B C65B C64B 117.5 . .
C57B C66B C17B 121.8 . .
C57B C66B C67B 122.6 . .
C67B C66B C17B 107.8 . .
C19B C67B C65B 120.0 . .
C66B C67B C19B 109.9 . .
C66B C67B C65B 119.7 . .
C64B C68B C20B 122.8 . .
C64B C68B C69B 122.7 . .
C69B C68B C20B 106.8 . .
C63B C69B C8B 120.3 . .
C63B C69B C68B 120.9 . .
C68B C69B C8B 109.6 . .
C62B C70B C41B 107.9 . .
C63B C70B C41B 121.5 . .
C63B C70B C62B 120.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
S1 N1 1.617(3) .
S1 N2 1.615(4) .
N1 C4 1.347(4) .
N2 C5 1.351(4) .
C1 H1 1.0000 .
C1 C2 1.527(3) 9
C1 C2 1.527(3) 5
C1 C2 1.527(3) .
C2 C3 1.366(3) .
C2 C7 1.437(4) .
C3 H3 0.9500 .
C3 C4 1.424(4) .
C4 C5 1.435(5) .
C5 C6 1.410(5) .
C6 H6 0.9500 .
C6 C7 1.372(4) .
C7 C8 1.519(3) .
C8 H8 1.0000 .
C9 S2 1.654(8) .
C9 S2 1.614(8) 24_656
C1A C2A 1.3527 .
C1A C6A 1.4529 .
C1A C27A 1.4784 .
C2A C3A 1.4567 .
C2A C29A 1.4432 .
C3A C4A 1.4444 .
C3A C7A 1.3882 .
C4A C5A 1.4053 .
C4A C10A 1.4179 .
C5A C6A 1.3865 .
C5A C12A 1.4953 .
C6A C13A 1.4438 .
C7A C8A 1.3586 .
C7A C21A 1.4474 .
C8A C9A 1.4673 .
C8A C69A 1.4612 .
C9A C10A 1.3971 .
C9A C20A 1.4411 .
C10A C11A 1.4417 .
C11A C12A 1.4046 .
C11A C18A 1.4396 .
C12A C15A 1.4133 .
C13A C14A 1.3577 .
C13A C30A 1.4626 .
C14A C15A 1.4440 .
C14A C54A 1.4796 .
C15A C16A 1.4485 .
C16A C17A 1.3677 .
C16A C55A 1.4746 .
C17A C18A 1.4319 .
C17A C66A 1.4708 .
C18A C19A 1.4536 .
C19A C20A 1.3962 .
C19A C67A 1.4205 .
C20A C68A 1.4348 .
C21A C22A 1.4302 .
C21A C29A 1.4387 .
C22A C23A 1.4163 .
C22A C63A 1.4243 .
C23A C24A 1.4285 .
C23A C40A 1.4645 .
C24A C25A 1.4177 .
C24A C28A 1.4455 .
C25A C26A 1.4670 .
C25A C29A 1.4038 .
C26A C27A 1.4007 .
C26A C33A 1.4342 .
C27A C30A 1.4541 .
C28A C34A 1.3972 .
C28A C39A 1.4391 .
C30A C31A 1.4144 .
C31A C32A 1.4115 .
C31A C53A 1.4984 .
C32A C33A 1.4319 .
C32A C36A 1.4442 .
C33A C34A 1.4338 .
C34A C35A 1.4446 .
C35A C36A 1.4245 .
C35A C37A 1.3788 .
C36A C50A 1.4219 .
C37A C38A 1.4368 .
C37A C49A 1.4596 .
C38A C39A 1.4073 .
C38A C43A 1.4259 .
C39A C40A 1.4342 .
C40A C41A 1.3554 .
C41A C42A 1.4340 .
C41A C70A 1.4757 .
C42A C43A 1.3775 .
C42A C61A 1.4461 .
C43A C44A 1.4528 .
C44A C45A 1.4515 .
C44A C49A 1.4156 .
C45A C46A 1.3933 .
C45A C60A 1.4081 .
C46A C47A 1.3746 .
C46A C58A 1.4960 .
C47A C48A 1.4776 .
C47A C52A 1.4391 .
C48A C49A 1.3739 .
C48A C50A 1.4094 .
C50A C51A 1.4608 .
C51A C52A 1.4475 .
C51A C53A 1.4004 .
C52A C56A 1.4313 .
C53A C54A 1.3808 .
C54A C55A 1.4072 .
C55A C56A 1.3783 .
C56A C57A 1.4676 .
C57A C58A 1.4183 .
C57A C66A 1.3910 .
C58A C59A 1.4266 .
C59A C60A 1.4601 .
C59A C65A 1.4093 .
C60A C61A 1.4043 .
C61A C62A 1.4504 .
C62A C64A 1.4143 .
C62A C70A 1.4422 .
C63A C69A 1.4182 .
C63A C70A 1.4185 .
C64A C65A 1.5086 .
C64A C68A 1.3751 .
C65A C67A 1.4369 .
C66A C67A 1.4164 .
C68A C69A 1.4228 .
C1B C2B 1.3539 .
C1B C6B 1.4526 .
C1B C27B 1.4786 .
C2B C3B 1.4560 .
C2B C29B 1.4433 .
C3B C4B 1.4442 .
C3B C7B 1.3873 .
C4B C5B 1.4051 .
C4B C10B 1.4185 .
C5B C6B 1.3863 .
C5B C12B 1.4956 .
C6B C13B 1.4431 .
C7B C8B 1.3600 .
C7B C21B 1.4461 .
C8B C9B 1.4672 .
C8B C69B 1.4621 .
C9B C10B 1.3963 .
C9B C20B 1.4420 .
C10B C11B 1.4409 .
C11B C12B 1.4039 .
C11B C18B 1.4387 .
C12B C15B 1.4122 .
C13B C14B 1.3582 .
C13B C30B 1.4628 .
C14B C15B 1.4442 .
C14B C54B 1.4806 .
C15B C16B 1.4481 .
C16B C17B 1.3676 .
C16B C55B 1.4756 .
C17B C18B 1.4322 .
C17B C66B 1.4712 .
C18B C19B 1.4548 .
C19B C20B 1.3955 .
C19B C67B 1.4211 .
C20B C68B 1.4357 .
C21B C22B 1.4306 .
C21B C29B 1.4387 .
C22B C23B 1.4147 .
C22B C63B 1.4243 .
C23B C24B 1.4277 .
C23B C40B 1.4662 .
C24B C25B 1.4185 .
C24B C28B 1.4465 .
C25B C26B 1.4672 .
C25B C29B 1.4039 .
C26B C27B 1.4000 .
C26B C33B 1.4341 .
C27B C30B 1.4538 .
C28B C34B 1.3968 .
C28B C39B 1.4388 .
C30B C31B 1.4151 .
C31B C32B 1.4104 .
C31B C53B 1.4988 .
C32B C33B 1.4319 .
C32B C36B 1.4434 .
C33B C34B 1.4327 .
C34B C35B 1.4453 .
C35B C36B 1.4254 .
C35B C37B 1.3786 .
C36B C50B 1.4213 .
C37B C38B 1.4362 .
C37B C49B 1.4592 .
C38B C39B 1.4067 .
C38B C43B 1.4258 .
C39B C40B 1.4346 .
C40B C41B 1.3542 .
C41B C42B 1.4336 .
C41B C70B 1.4761 .
C42B C43B 1.3785 .
C42B C61B 1.4466 .
C43B C44B 1.4511 .
C44B C45B 1.4519 .
C44B C49B 1.4158 .
C45B C46B 1.3930 .
C45B C60B 1.4084 .
C46B C47B 1.3747 .
C46B C58B 1.4966 .
C47B C48B 1.4775 .
C47B C52B 1.4392 .
C48B C49B 1.3748 .
C48B C50B 1.4098 .
C50B C51B 1.4603 .
C51B C52B 1.4486 .
C51B C53B 1.4001 .
C52B C56B 1.4303 .
C53B C54B 1.3806 .
C54B C55B 1.4079 .
C55B C56B 1.3796 .
C56B C57B 1.4670 .
C57B C58B 1.4190 .
C57B C66B 1.3909 .
C58B C59B 1.4252 .
C59B C60B 1.4609 .
C59B C65B 1.4096 .
C60B C61B 1.4038 .
C61B C62B 1.4508 .
C62B C64B 1.4147 .
C62B C70B 1.4416 .
C63B C69B 1.4178 .
C63B C70B 1.4194 .
C64B C65B 1.5086 .
C64B C68B 1.3758 .
C65B C67B 1.4366 .
C66B C67B 1.4149 .
C68B C69B 1.4229 .
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
S1 N1 C4 C3 -179.8(2) . . . .
S1 N1 C4 C5 0.1(3) . . . .
S1 N2 C5 C4 -0.4(3) . . . .
S1 N2 C5 C6 178.9(2) . . . .
N1 S1 N2 C5 0.4(2) . . . .
N1 C4 C5 N2 0.1(3) . . . .
N1 C4 C5 C6 -179.1(2) . . . .
N2 S1 N1 C4 -0.3(2) . . . .
N2 C5 C6 C7 -178.9(3) . . . .
C1 C2 C3 C4 -178.94(19) . . . .
C1 C2 C7 C6 -179.9(2) . . . .
C1 C2 C7 C8 -0.2(3) . . . .
C2 C1 C2 C3 123.6(3) 9 . . .
C2 C1 C2 C3 -124.1(3) 5 . . .
C2 C1 C2 C7 -56.1(2) 9 . . .
C2 C1 C2 C7 56.3(2) 5 . . .
C2 C3 C4 N1 178.7(2) . . . .
C2 C3 C4 C5 -1.3(3) . . . .
C2 C7 C8 C7 56.6(3) . . . 9
C2 C7 C8 C7 -56.4(3) . . . 5
C3 C2 C7 C6 0.5(4) . . . .
C3 C2 C7 C8 -179.82(19) . . . .
C3 C4 C5 N2 -179.9(2) . . . .
C3 C4 C5 C6 0.9(4) . . . .
C4 C5 C6 C7 0.2(4) . . . .
C5 C6 C7 C2 -0.9(4) . . . .
C5 C6 C7 C8 179.4(2) . . . .
C6 C7 C8 C7 -123.7(4) . . . 9
C6 C7 C8 C7 123.3(4) . . . 5
C7 C2 C3 C4 0.7(3) . . . .
C1A C2A C3A C4A 2.8 . . . .
C1A C2A C3A C7A -139.4 . . . .
C1A C2A C29A C21A 140.4 . . . .
C1A C2A C29A C25A -7.1 . . . .
C1A C6A C13A C14A -140.9 . . . .
C1A C6A C13A C30A 3.9 . . . .
C1A C27A C30A C13A 0.7 . . . .
C1A C27A C30A C31A 145.4 . . . .
C2A C1A C6A C5A 0.5 . . . .
C2A C1A C6A C13A 142.6 . . . .
C2A C1A C27A C26A -0.7 . . . .
C2A C1A C27A C30A -145.8 . . . .
C2A C3A C4A C5A -0.4 . . . .
C2A C3A C4A C10A -139.2 . . . .
C2A C3A C7A C8A 141.9 . . . .
C2A C3A C7A C21A -2.0 . . . .
C3A C2A C29A C21A -0.5 . . . .
C3A C2A C29A C25A -148.0 . . . .
C3A C4A C5A C6A -2.0 . . . .
C3A C4A C5A C12A -142.1 . . . .
C3A C4A C10A C9A 1.1 . . . .
C3A C4A C10A C11A 141.9 . . . .
C3A C7A C8A C9A -1.2 . . . .
C3A C7A C8A C69A -137.0 . . . .
C3A C7A C21A C22A 147.4 . . . .
C3A C7A C21A C29A 1.6 . . . .
C4A C3A C7A C8A 0.5 . . . .
C4A C3A C7A C21A -143.4 . . . .
C4A C5A C6A C1A 2.0 . . . .
C4A C5A C6A C13A -134.4 . . . .
C4A C5A C12A C11A 0.4 . . . .
C4A C5A C12A C15A 143.1 . . . .
C4A C10A C11A C12A 0.4 . . . .
C4A C10A C11A C18A -142.0 . . . .
C5A C4A C10A C9A -141.0 . . . .
C5A C4A C10A C11A -0.1 . . . .
C5A C6A C13A C14A -1.7 . . . .
C5A C6A C13A C30A 143.1 . . . .
C5A C12A C15A C14A -1.0 . . . .
C5A C12A C15A C16A -137.0 . . . .
C6A C1A C2A C3A -2.9 . . . .
C6A C1A C2A C29A -138.2 . . . .
C6A C1A C27A C26A 146.8 . . . .
C6A C1A C27A C30A 1.7 . . . .
C6A C5A C12A C11A -142.8 . . . .
C6A C5A C12A C15A -0.1 . . . .
C6A C13A C14A C15A 0.5 . . . .
C6A C13A C14A C54A 139.4 . . . .
C6A C13A C30A C27A -2.8 . . . .
C6A C13A C30A C31A -147.3 . . . .
C7A C3A C4A C5A 138.4 . . . .
C7A C3A C4A C10A -0.4 . . . .
C7A C8A C9A C10A 1.8 . . . .
C7A C8A C9A C20A -141.5 . . . .
C7A C8A C69A C63A -7.2 . . . .
C7A C8A C69A C68A 139.9 . . . .
C7A C21A C22A C23A -155.4 . . . .
C7A C21A C22A C63A -2.5 . . . .
C7A C21A C29A C2A -0.6 . . . .
C7A C21A C29A C25A 147.4 . . . .
C8A C7A C21A C22A 1.9 . . . .
C8A C7A C21A C29A -143.9 . . . .
C8A C9A C10A C4A -1.8 . . . .
C8A C9A C10A C11A -138.7 . . . .
C8A C9A C20A C19A 143.4 . . . .
C8A C9A C20A C68A 0.9 . . . .
C9A C8A C69A C63A -147.6 . . . .
C9A C8A C69A C68A -0.6 . . . .
C9A C10A C11A C12A 142.4 . . . .
C9A C10A C11A C18A 0.0 . . . .
C9A C20A C68A C64A 148.6 . . . .
C9A C20A C68A C69A -1.3 . . . .
C10A C4A C5A C6A 140.0 . . . .
C10A C4A C5A C12A -0.2 . . . .
C10A C9A C20A C19A 1.7 . . . .
C10A C9A C20A C68A -140.8 . . . .
C10A C11A C12A C5A -0.4 . . . .
C10A C11A C12A C15A -142.4 . . . .
C10A C11A C18A C17A 137.9 . . . .
C10A C11A C18A C19A 1.3 . . . .
C11A C12A C15A C14A 137.0 . . . .
C11A C12A C15A C16A 0.9 . . . .
C11A C18A C19A C20A -1.1 . . . .
C11A C18A C19A C67A 143.7 . . . .
C12A C5A C6A C1A 137.9 . . . .
C12A C5A C6A C13A 1.5 . . . .
C12A C11A C18A C17A -0.2 . . . .
C12A C11A C18A C19A -136.9 . . . .
C12A C15A C16A C17A -2.4 . . . .
C12A C15A C16A C55A 141.1 . . . .
C13A C14A C15A C12A 0.8 . . . .
C13A C14A C15A C16A 142.0 . . . .
C13A C14A C54A C53A 4.6 . . . .
C13A C14A C54A C55A -141.6 . . . .
C13A C30A C31A C32A 153.7 . . . .
C13A C30A C31A C53A 2.5 . . . .
C14A C13A C30A C27A 141.6 . . . .
C14A C13A C30A C31A -2.9 . . . .
C14A C15A C16A C17A -143.8 . . . .
C14A C15A C16A C55A -0.4 . . . .
C14A C54A C55A C16A -1.8 . . . .
C14A C54A C55A C56A 146.7 . . . .
C15A C14A C54A C53A 147.8 . . . .
C15A C14A C54A C55A 1.6 . . . .
C15A C16A C17A C18A 2.6 . . . .
C15A C16A C17A C66A 139.0 . . . .
C15A C16A C55A C54A 1.4 . . . .
C15A C16A C55A C56A -148.3 . . . .
C16A C17A C18A C11A -1.3 . . . .
C16A C17A C18A C19A 139.3 . . . .
C16A C17A C66A C57A 5.9 . . . .
C16A C17A C66A C67A -143.8 . . . .
C16A C55A C56A C52A 155.9 . . . .
C16A C55A C56A C57A 6.1 . . . .
C17A C16A C55A C54A 144.0 . . . .
C17A C16A C55A C56A -5.7 . . . .
C17A C18A C19A C20A -141.4 . . . .
C17A C18A C19A C67A 3.4 . . . .
C17A C66A C67A C19A 3.3 . . . .
C17A C66A C67A C65A 148.2 . . . .
C18A C11A C12A C5A 142.3 . . . .
C18A C11A C12A C15A 0.4 . . . .
C18A C17A C66A C57A 148.7 . . . .
C18A C17A C66A C67A -1.1 . . . .
C18A C19A C20A C9A -0.3 . . . .
C18A C19A C20A C68A 139.3 . . . .
C18A C19A C67A C65A -148.9 . . . .
C18A C19A C67A C66A -4.1 . . . .
C19A C20A C68A C64A 5.7 . . . .
C19A C20A C68A C69A -144.2 . . . .
C20A C9A C10A C4A 135.4 . . . .
C20A C9A C10A C11A -1.5 . . . .
C20A C19A C67A C65A -4.9 . . . .
C20A C19A C67A C66A 139.9 . . . .
C20A C68A C69A C8A 1.2 . . . .
C20A C68A C69A C63A 148.0 . . . .
C21A C7A C8A C9A 138.6 . . . .
C21A C7A C8A C69A 2.8 . . . .
C21A C22A C23A C24A 12.6 . . . .
C21A C22A C23A C40A 156.3 . . . .
C21A C22A C63A C69A -1.8 . . . .
C21A C22A C63A C70A -152.2 . . . .
C22A C21A C29A C2A -146.5 . . . .
C22A C21A C29A C25A 1.5 . . . .
C22A C23A C24A C25A 0.8 . . . .
C22A C23A C24A C28A 147.0 . . . .
C22A C23A C40A C39A -148.2 . . . .
C22A C23A C40A C41A -2.4 . . . .
C22A C63A C69A C8A 6.5 . . . .
C22A C63A C69A C68A -136.8 . . . .
C22A C63A C70A C41A -3.8 . . . .
C22A C63A C70A C62A 137.7 . . . .
C23A C22A C63A C69A 150.6 . . . .
C23A C22A C63A C70A 0.2 . . . .
C23A C24A C25A C26A 136.4 . . . .
C23A C24A C25A C29A -13.2 . . . .
C23A C24A C28A C34A -140.3 . . . .
C23A C24A C28A C39A 2.5 . . . .
C23A C40A C41A C42A -137.7 . . . .
C23A C40A C41A C70A -1.3 . . . .
C24A C23A C40A C39A -0.2 . . . .
C24A C23A C40A C41A 145.6 . . . .
C24A C25A C26A C27A -151.2 . . . .
C24A C25A C26A C33A 1.5 . . . .
C24A C25A C29A C2A 155.5 . . . .
C24A C25A C29A C21A 12.1 . . . .
C24A C28A C34A C33A -2.0 . . . .
C24A C28A C34A C35A 139.1 . . . .
C24A C28A C39A C38A -141.9 . . . .
C24A C28A C39A C40A -2.6 . . . .
C25A C24A C28A C34A 5.8 . . . .
C25A C24A C28A C39A 148.7 . . . .
C25A C26A C27A C1A -0.8 . . . .
C25A C26A C27A C30A 138.6 . . . .
C25A C26A C33A C32A -138.0 . . . .
C25A C26A C33A C34A 2.1 . . . .
C26A C25A C29A C2A 5.5 . . . .
C26A C25A C29A C21A -137.9 . . . .
C26A C27A C30A C13A -143.6 . . . .
C26A C27A C30A C31A 1.2 . . . .
C26A C33A C34A C28A -1.9 . . . .
C26A C33A C34A C35A -146.4 . . . .
C27A C1A C2A C3A 139.8 . . . .
C27A C1A C2A C29A 4.5 . . . .
C27A C1A C6A C5A -145.6 . . . .
C27A C1A C6A C13A -3.5 . . . .
C27A C26A C33A C32A 16.0 . . . .
C27A C26A C33A C34A 156.2 . . . .
C27A C30A C31A C32A 12.8 . . . .
C27A C30A C31A C53A -138.4 . . . .
C28A C24A C25A C26A -5.5 . . . .
C28A C24A C25A C29A -155.2 . . . .
C28A C34A C35A C36A -144.6 . . . .
C28A C34A C35A C37A -1.1 . . . .
C28A C39A C40A C23A 1.7 . . . .
C28A C39A C40A C41A -142.6 . . . .
C29A C2A C3A C4A 143.7 . . . .
C29A C2A C3A C7A 1.6 . . . .
C29A C21A C22A C23A -13.7 . . . .
C29A C21A C22A C63A 139.3 . . . .
C29A C25A C26A C27A -1.6 . . . .
C29A C25A C26A C33A 151.2 . . . .
C30A C13A C14A C15A -139.4 . . . .
C30A C13A C14A C54A -0.6 . . . .
C30A C31A C32A C33A -12.2 . . . .
C30A C31A C32A C36A -155.6 . . . .
C30A C31A C53A C51A 151.4 . . . .
C30A C31A C53A C54A 1.4 . . . .
C31A C32A C33A C26A -2.5 . . . .
C31A C32A C33A C34A -146.8 . . . .
C31A C32A C36A C35A 146.1 . . . .
C31A C32A C36A C50A 5.1 . . . .
C31A C53A C54A C14A -4.9 . . . .
C31A C53A C54A C55A 137.1 . . . .
C32A C31A C53A C51A 0.5 . . . .
C32A C31A C53A C54A -149.4 . . . .
C32A C33A C34A C28A 142.9 . . . .
C32A C33A C34A C35A -1.6 . . . .
C32A C36A C50A C48A 139.6 . . . .
C32A C36A C50A C51A -1.9 . . . .
C33A C26A C27A C1A -154.7 . . . .
C33A C26A C27A C30A -15.4 . . . .
C33A C32A C36A C35A -1.9 . . . .
C33A C32A C36A C50A -142.9 . . . .
C33A C34A C35A C36A 0.5 . . . .
C33A C34A C35A C37A 144.0 . . . .
C34A C28A C39A C38A 1.0 . . . .
C34A C28A C39A C40A 140.2 . . . .
C34A C35A C36A C32A 0.9 . . . .
C34A C35A C36A C50A 142.0 . . . .
C34A C35A C37A C38A 0.4 . . . .
C34A C35A C37A C49A -137.9 . . . .
C35A C36A C50A C48A 1.4 . . . .
C35A C36A C50A C51A -140.0 . . . .
C35A C37A C38A C39A 1.0 . . . .
C35A C37A C38A C43A -141.4 . . . .
C35A C37A C49A C44A 143.2 . . . .
C35A C37A C49A C48A 1.0 . . . .
C36A C32A C33A C26A 146.4 . . . .
C36A C32A C33A C34A 2.1 . . . .
C36A C35A C37A C38A 137.7 . . . .
C36A C35A C37A C49A -0.5 . . . .
C36A C50A C51A C52A 143.5 . . . .
C36A C50A C51A C53A -1.9 . . . .
C37A C35A C36A C32A -141.8 . . . .
C37A C35A C36A C50A -0.7 . . . .
C37A C38A C39A C28A -1.7 . . . .
C37A C38A C39A C40A -137.0 . . . .
C37A C38A C43A C42A 140.0 . . . .
C37A C38A C43A C44A -1.5 . . . .
C38A C37A C49A C44A 0.0 . . . .
C38A C37A C49A C48A -142.2 . . . .
C38A C39A C40A C23A 142.4 . . . .
C38A C39A C40A C41A -1.9 . . . .
C38A C43A C44A C45A 141.7 . . . .
C38A C43A C44A C49A 1.5 . . . .
C39A C28A C34A C33A -140.7 . . . .
C39A C28A C34A C35A 0.4 . . . .
C39A C38A C43A C42A -1.6 . . . .
C39A C38A C43A C44A -143.2 . . . .
C39A C40A C41A C42A 3.0 . . . .
C39A C40A C41A C70A 139.5 . . . .
C40A C23A C24A C25A -147.7 . . . .
C40A C23A C24A C28A -1.4 . . . .
C40A C41A C42A C43A -3.4 . . . .
C40A C41A C42A C61A 141.6 . . . .
C40A C41A C70A C62A -141.5 . . . .
C40A C41A C70A C63A 4.4 . . . .
C41A C42A C43A C38A 2.7 . . . .
C41A C42A C43A C44A 138.8 . . . .
C41A C42A C61A C60A -144.2 . . . .
C41A C42A C61A C62A -0.5 . . . .
C42A C41A C70A C62A -0.9 . . . .
C42A C41A C70A C63A 145.0 . . . .
C42A C43A C44A C45A 0.5 . . . .
C42A C43A C44A C49A -139.7 . . . .
C42A C61A C62A C64A -145.4 . . . .
C42A C61A C62A C70A -0.1 . . . .
C43A C38A C39A C28A 136.5 . . . .
C43A C38A C39A C40A 1.1 . . . .
C43A C42A C61A C60A 0.3 . . . .
C43A C42A C61A C62A 144.1 . . . .
C43A C44A C45A C46A -138.2 . . . .
C43A C44A C45A C60A 0.9 . . . .
C43A C44A C49A C37A -1.0 . . . .
C43A C44A C49A C48A 139.6 . . . .
C44A C45A C46A C47A 1.8 . . . .
C44A C45A C46A C58A 144.9 . . . .
C44A C45A C60A C59A -143.3 . . . .
C44A C45A C60A C61A -1.7 . . . .
C45A C44A C49A C37A -140.5 . . . .
C45A C44A C49A C48A 0.0 . . . .
C45A C46A C47A C48A -0.3 . . . .
C45A C46A C47A C52A 136.5 . . . .
C45A C46A C58A C57A -145.8 . . . .
C45A C46A C58A C59A -1.7 . . . .
C45A C60A C61A C42A 1.1 . . . .
C45A C60A C61A C62A -138.7 . . . .
C46A C45A C60A C59A -0.9 . . . .
C46A C45A C60A C61A 140.7 . . . .
C46A C47A C48A C49A -1.3 . . . .
C46A C47A C48A C50A 142.6 . . . .
C46A C47A C52A C51A -141.4 . . . .
C46A C47A C52A C56A 7.0 . . . .
C46A C58A C59A C60A 1.2 . . . .
C46A C58A C59A C65A -148.0 . . . .
C47A C46A C58A C57A -0.1 . . . .
C47A C46A C58A C59A 144.0 . . . .
C47A C48A C49A C37A 137.6 . . . .
C47A C48A C49A C44A 1.4 . . . .
C47A C48A C50A C36A -143.2 . . . .
C47A C48A C50A C51A 0.5 . . . .
C47A C52A C56A C55A -156.0 . . . .
C47A C52A C56A C57A -5.7 . . . .
C48A C47A C52A C51A -0.4 . . . .
C48A C47A C52A C56A 148.0 . . . .
C48A C50A C51A C52A -0.7 . . . .
C48A C50A C51A C53A -146.1 . . . .
C49A C37A C38A C39A 143.3 . . . .
C49A C37A C38A C43A 1.0 . . . .
C49A C44A C45A C46A -1.6 . . . .
C49A C44A C45A C60A 137.5 . . . .
C49A C48A C50A C36A -1.0 . . . .
C49A C48A C50A C51A 142.7 . . . .
C50A C48A C49A C37A -0.2 . . . .
C50A C48A C49A C44A -136.4 . . . .
C50A C51A C52A C47A 0.7 . . . .
C50A C51A C52A C56A -148.4 . . . .
C50A C51A C53A C31A 2.5 . . . .
C50A C51A C53A C54A 153.2 . . . .
C51A C52A C56A C55A -10.5 . . . .
C51A C52A C56A C57A 139.8 . . . .
C51A C53A C54A C14A -154.8 . . . .
C51A C53A C54A C55A -12.7 . . . .
C52A C47A C48A C49A -143.9 . . . .
C52A C47A C48A C50A -0.1 . . . .
C52A C51A C53A C31A -137.6 . . . .
C52A C51A C53A C54A 13.1 . . . .
C52A C56A C57A C58A 1.7 . . . .
C52A C56A C57A C66A -149.7 . . . .
C53A C31A C32A C33A 139.0 . . . .
C53A C31A C32A C36A -4.4 . . . .
C53A C51A C52A C47A 147.6 . . . .
C53A C51A C52A C56A -1.4 . . . .
C53A C54A C55A C16A -148.2 . . . .
C53A C54A C55A C56A 0.4 . . . .
C54A C14A C15A C12A -142.0 . . . .
C54A C14A C15A C16A -0.7 . . . .
C54A C55A C56A C52A 11.3 . . . .
C54A C55A C56A C57A -138.6 . . . .
C55A C16A C17A C18A -136.7 . . . .
C55A C16A C17A C66A -0.3 . . . .
C55A C56A C57A C58A 150.8 . . . .
C55A C56A C57A C66A -0.6 . . . .
C56A C57A C58A C46A 1.1 . . . .
C56A C57A C58A C59A -137.3 . . . .
C56A C57A C66A C17A -5.5 . . . .
C56A C57A C66A C67A 139.8 . . . .
C57A C58A C59A C60A 145.6 . . . .
C57A C58A C59A C65A -3.6 . . . .
C57A C66A C67A C19A -146.2 . . . .
C57A C66A C67A C65A -1.3 . . . .
C58A C46A C47A C48A -140.7 . . . .
C58A C46A C47A C52A -3.9 . . . .
C58A C57A C66A C17A -157.6 . . . .
C58A C57A C66A C67A -12.3 . . . .
C58A C59A C60A C45A -0.3 . . . .
C58A C59A C60A C61A -143.2 . . . .
C58A C59A C65A C64A 139.4 . . . .
C58A C59A C65A C67A -10.2 . . . .
C59A C60A C61A C42A 138.8 . . . .
C59A C60A C61A C62A -1.0 . . . .
C59A C65A C67A C19A 154.1 . . . .
C59A C65A C67A C66A 12.7 . . . .
C60A C45A C46A C47A -141.5 . . . .
C60A C45A C46A C58A 1.6 . . . .
C60A C59A C65A C64A -5.4 . . . .
C60A C59A C65A C67A -155.0 . . . .
C60A C61A C62A C64A -2.5 . . . .
C60A C61A C62A C70A 142.8 . . . .
C61A C42A C43A C38A -137.2 . . . .
C61A C42A C43A C44A -1.1 . . . .
C61A C62A C64A C65A 2.1 . . . .
C61A C62A C64A C68A 153.1 . . . .
C61A C62A C70A C41A 0.6 . . . .
C61A C62A C70A C63A -145.6 . . . .
C62A C64A C65A C59A 1.8 . . . .
C62A C64A C65A C67A 151.3 . . . .
C62A C64A C68A C20A -156.9 . . . .
C62A C64A C68A C69A -11.6 . . . .
C63A C22A C23A C24A -140.7 . . . .
C63A C22A C23A C40A 2.9 . . . .
C64A C62A C70A C41A 146.4 . . . .
C64A C62A C70A C63A 0.2 . . . .
C64A C65A C67A C19A 4.4 . . . .
C64A C65A C67A C66A -137.0 . . . .
C64A C68A C69A C8A -148.8 . . . .
C64A C68A C69A C63A -2.0 . . . .
C65A C59A C60A C45A 148.0 . . . .
C65A C59A C60A C61A 5.1 . . . .
C65A C64A C68A C20A -6.1 . . . .
C65A C64A C68A C69A 139.2 . . . .
C66A C17A C18A C11A -142.0 . . . .
C66A C17A C18A C19A -1.5 . . . .
C66A C57A C58A C46A 153.2 . . . .
C66A C57A C58A C59A 14.8 . . . .
C67A C19A C20A C9A -139.6 . . . .
C67A C19A C20A C68A 0.0 . . . .
C68A C64A C65A C59A -148.6 . . . .
C68A C64A C65A C67A 0.9 . . . .
C69A C8A C9A C10A 143.1 . . . .
C69A C8A C9A C20A -0.2 . . . .
C69A C63A C70A C41A -155.1 . . . .
C69A C63A C70A C62A -13.5 . . . .
C70A C41A C42A C43A -144.2 . . . .
C70A C41A C42A C61A 0.8 . . . .
C70A C62A C64A C65A -138.6 . . . .
C70A C62A C64A C68A 12.4 . . . .
C70A C63A C69A C8A 157.8 . . . .
C70A C63A C69A C68A 14.5 . . . .
C1B C2B C3B C4B 2.7 . . . .
C1B C2B C3B C7B -139.4 . . . .
C1B C2B C29B C21B 140.4 . . . .
C1B C2B C29B C25B -7.1 . . . .
C1B C6B C13B C14B -141.0 . . . .
C1B C6B C13B C30B 3.9 . . . .
C1B C27B C30B C13B 0.7 . . . .
C1B C27B C30B C31B 145.4 . . . .
C2B C1B C6B C5B 0.5 . . . .
C2B C1B C6B C13B 142.6 . . . .
C2B C1B C27B C26B -0.6 . . . .
C2B C1B C27B C30B -145.8 . . . .
C2B C3B C4B C5B -0.4 . . . .
C2B C3B C4B C10B -139.1 . . . .
C2B C3B C7B C8B 141.9 . . . .
C2B C3B C7B C21B -2.0 . . . .
C3B C2B C29B C21B -0.6 . . . .
C3B C2B C29B C25B -148.1 . . . .
C3B C4B C5B C6B -1.9 . . . .
C3B C4B C5B C12B -142.1 . . . .
C3B C4B C10B C9B 0.9 . . . .
C3B C4B C10B C11B 141.9 . . . .
C3B C7B C8B C9B -1.2 . . . .
C3B C7B C8B C69B -137.0 . . . .
C3B C7B C21B C22B 147.4 . . . .
C3B C7B C21B C29B 1.6 . . . .
C4B C3B C7B C8B 0.5 . . . .
C4B C3B C7B C21B -143.4 . . . .
C4B C5B C6B C1B 1.9 . . . .
C4B C5B C6B C13B -134.4 . . . .
C4B C5B C12B C11B 0.4 . . . .
C4B C5B C12B C15B 143.1 . . . .
C4B C10B C11B C12B 0.3 . . . .
C4B C10B C11B C18B -142.1 . . . .
C5B C4B C10B C9B -141.0 . . . .
C5B C4B C10B C11B -0.1 . . . .
C5B C6B C13B C14B -1.8 . . . .
C5B C6B C13B C30B 143.1 . . . .
C5B C12B C15B C14B -0.9 . . . .
C5B C12B C15B C16B -137.1 . . . .
C6B C1B C2B C3B -2.8 . . . .
C6B C1B C2B C29B -138.2 . . . .
C6B C1B C27B C26B 146.8 . . . .
C6B C1B C27B C30B 1.7 . . . .
C6B C5B C12B C11B -142.9 . . . .
C6B C5B C12B C15B -0.2 . . . .
C6B C13B C14B C15B 0.7 . . . .
C6B C13B C14B C54B 139.4 . . . .
C6B C13B C30B C27B -2.9 . . . .
C6B C13B C30B C31B -147.3 . . . .
C7B C3B C4B C5B 138.3 . . . .
C7B C3B C4B C10B -0.3 . . . .
C7B C8B C9B C10B 1.7 . . . .
C7B C8B C9B C20B -141.5 . . . .
C7B C8B C69B C63B -7.2 . . . .
C7B C8B C69B C68B 139.8 . . . .
C7B C21B C22B C23B -155.4 . . . .
C7B C21B C22B C63B -2.4 . . . .
C7B C21B C29B C2B -0.6 . . . .
C7B C21B C29B C25B 147.4 . . . .
C8B C7B C21B C22B 1.8 . . . .
C8B C7B C21B C29B -144.0 . . . .
C8B C9B C10B C4B -1.6 . . . .
C8B C9B C10B C11B -138.6 . . . .
C8B C9B C20B C19B 143.4 . . . .
C8B C9B C20B C68B 0.9 . . . .
C9B C8B C69B C63B -147.6 . . . .
C9B C8B C69B C68B -0.6 . . . .
C9B C10B C11B C12B 142.4 . . . .
C9B C10B C11B C18B 0.0 . . . .
C9B C20B C68B C64B 148.7 . . . .
C9B C20B C68B C69B -1.3 . . . .
C10B C4B C5B C6B 139.9 . . . .
C10B C4B C5B C12B -0.2 . . . .
C10B C9B C20B C19B 1.8 . . . .
C10B C9B C20B C68B -140.7 . . . .
C10B C11B C12B C5B -0.5 . . . .
C10B C11B C12B C15B -142.4 . . . .
C10B C11B C18B C17B 137.9 . . . .
C10B C11B C18B C19B 1.4 . . . .
C11B C12B C15B C14B 137.1 . . . .
C11B C12B C15B C16B 0.8 . . . .
C11B C18B C19B C20B -1.3 . . . .
C11B C18B C19B C67B 143.6 . . . .
C12B C5B C6B C1B 137.9 . . . .
C12B C5B C6B C13B 1.5 . . . .
C12B C11B C18B C17B -0.4 . . . .
C12B C11B C18B C19B -136.8 . . . .
C12B C15B C16B C17B -2.3 . . . .
C12B C15B C16B C55B 141.1 . . . .
C13B C14B C15B C12B 0.6 . . . .
C13B C14B C15B C16B 142.0 . . . .
C13B C14B C54B C53B 4.6 . . . .
C13B C14B C54B C55B -141.5 . . . .
C13B C30B C31B C32B 153.7 . . . .
C13B C30B C31B C53B 2.4 . . . .
C14B C13B C30B C27B 141.7 . . . .
C14B C13B C30B C31B -2.8 . . . .
C14B C15B C16B C17B -143.9 . . . .
C14B C15B C16B C55B -0.5 . . . .
C14B C54B C55B C16B -1.8 . . . .
C14B C54B C55B C56B 146.7 . . . .
C15B C14B C54B C53B 147.7 . . . .
C15B C14B C54B C55B 1.6 . . . .
C15B C16B C17B C18B 2.5 . . . .
C15B C16B C17B C66B 138.8 . . . .
C15B C16B C55B C54B 1.5 . . . .
C15B C16B C55B C56B -148.3 . . . .
C16B C17B C18B C11B -1.2 . . . .
C16B C17B C18B C19B 139.3 . . . .
C16B C17B C66B C57B 6.1 . . . .
C16B C17B C66B C67B -143.8 . . . .
C16B C55B C56B C52B 156.0 . . . .
C16B C55B C56B C57B 6.0 . . . .
C17B C16B C55B C54B 144.1 . . . .
C17B C16B C55B C56B -5.7 . . . .
C17B C18B C19B C20B -141.4 . . . .
C17B C18B C19B C67B 3.4 . . . .
C17B C66B C67B C19B 3.3 . . . .
C17B C66B C67B C65B 148.3 . . . .
C18B C11B C12B C5B 142.4 . . . .
C18B C11B C12B C15B 0.5 . . . .
C18B C17B C66B C57B 148.7 . . . .
C18B C17B C66B C67B -1.1 . . . .
C18B C19B C20B C9B -0.3 . . . .
C18B C19B C20B C68B 139.3 . . . .
C18B C19B C67B C65B -148.9 . . . .
C18B C19B C67B C66B -4.2 . . . .
C19B C20B C68B C64B 5.8 . . . .
C19B C20B C68B C69B -144.2 . . . .
C20B C9B C10B C4B 135.5 . . . .
C20B C9B C10B C11B -1.6 . . . .
C20B C19B C67B C65B -5.0 . . . .
C20B C19B C67B C66B 139.8 . . . .
C20B C68B C69B C8B 1.1 . . . .
C20B C68B C69B C63B 148.0 . . . .
C21B C7B C8B C9B 138.7 . . . .
C21B C7B C8B C69B 2.9 . . . .
C21B C22B C23B C24B 12.5 . . . .
C21B C22B C23B C40B 156.3 . . . .
C21B C22B C63B C69B -1.8 . . . .
C21B C22B C63B C70B -152.2 . . . .
C22B C21B C29B C2B -146.5 . . . .
C22B C21B C29B C25B 1.4 . . . .
C22B C23B C24B C25B 0.9 . . . .
C22B C23B C24B C28B 147.0 . . . .
C22B C23B C40B C39B -148.2 . . . .
C22B C23B C40B C41B -2.5 . . . .
C22B C63B C69B C8B 6.5 . . . .
C22B C63B C69B C68B -136.8 . . . .
C22B C63B C70B C41B -3.9 . . . .
C22B C63B C70B C62B 137.7 . . . .
C23B C22B C63B C69B 150.5 . . . .
C23B C22B C63B C70B 0.2 . . . .
C23B C24B C25B C26B 136.4 . . . .
C23B C24B C25B C29B -13.3 . . . .
C23B C24B C28B C34B -140.3 . . . .
C23B C24B C28B C39B 2.6 . . . .
C23B C40B C41B C42B -137.7 . . . .
C23B C40B C41B C70B -1.2 . . . .
C24B C23B C40B C39B -0.1 . . . .
C24B C23B C40B C41B 145.7 . . . .
C24B C25B C26B C27B -151.2 . . . .
C24B C25B C26B C33B 1.6 . . . .
C24B C25B C29B C2B 155.5 . . . .
C24B C25B C29B C21B 12.1 . . . .
C24B C28B C34B C33B -2.0 . . . .
C24B C28B C34B C35B 139.2 . . . .
C24B C28B C39B C38B -141.9 . . . .
C24B C28B C39B C40B -2.7 . . . .
C25B C24B C28B C34B 5.8 . . . .
C25B C24B C28B C39B 148.7 . . . .
C25B C26B C27B C1B -0.8 . . . .
C25B C26B C27B C30B 138.7 . . . .
C25B C26B C33B C32B -138.1 . . . .
C25B C26B C33B C34B 2.1 . . . .
C26B C25B C29B C2B 5.5 . . . .
C26B C25B C29B C21B -137.9 . . . .
C26B C27B C30B C13B -143.6 . . . .
C26B C27B C30B C31B 1.1 . . . .
C26B C33B C34B C28B -1.9 . . . .
C26B C33B C34B C35B -146.4 . . . .
C27B C1B C2B C3B 139.8 . . . .
C27B C1B C2B C29B 4.4 . . . .
C27B C1B C6B C5B -145.5 . . . .
C27B C1B C6B C13B -3.5 . . . .
C27B C26B C33B C32B 16.0 . . . .
C27B C26B C33B C34B 156.1 . . . .
C27B C30B C31B C32B 12.9 . . . .
C27B C30B C31B C53B -138.4 . . . .
C28B C24B C25B C26B -5.5 . . . .
C28B C24B C25B C29B -155.1 . . . .
C28B C34B C35B C36B -144.7 . . . .
C28B C34B C35B C37B -1.2 . . . .
C28B C39B C40B C23B 1.7 . . . .
C28B C39B C40B C41B -142.6 . . . .
C29B C2B C3B C4B 143.7 . . . .
C29B C2B C3B C7B 1.6 . . . .
C29B C21B C22B C23B -13.6 . . . .
C29B C21B C22B C63B 139.3 . . . .
C29B C25B C26B C27B -1.7 . . . .
C29B C25B C26B C33B 151.2 . . . .
C30B C13B C14B C15B -139.4 . . . .
C30B C13B C14B C54B -0.7 . . . .
C30B C31B C32B C33B -12.2 . . . .
C30B C31B C32B C36B -155.7 . . . .
C30B C31B C53B C51B 151.4 . . . .
C30B C31B C53B C54B 1.4 . . . .
C31B C32B C33B C26B -2.5 . . . .
C31B C32B C33B C34B -146.8 . . . .
C31B C32B C36B C35B 146.1 . . . .
C31B C32B C36B C50B 5.2 . . . .
C31B C53B C54B C14B -4.9 . . . .
C31B C53B C54B C55B 137.1 . . . .
C32B C31B C53B C51B 0.5 . . . .
C32B C31B C53B C54B -149.4 . . . .
C32B C33B C34B C28B 142.9 . . . .
C32B C33B C34B C35B -1.7 . . . .
C32B C36B C50B C48B 139.5 . . . .
C32B C36B C50B C51B -1.8 . . . .
C33B C26B C27B C1B -154.7 . . . .
C33B C26B C27B C30B -15.3 . . . .
C33B C32B C36B C35B -2.0 . . . .
C33B C32B C36B C50B -142.9 . . . .
C33B C34B C35B C36B 0.5 . . . .
C33B C34B C35B C37B 144.0 . . . .
C34B C28B C39B C38B 1.0 . . . .
C34B C28B C39B C40B 140.2 . . . .
C34B C35B C36B C32B 0.9 . . . .
C34B C35B C36B C50B 142.1 . . . .
C34B C35B C37B C38B 0.4 . . . .
C34B C35B C37B C49B -137.8 . . . .
C35B C36B C50B C48B 1.4 . . . .
C35B C36B C50B C51B -139.9 . . . .
C35B C37B C38B C39B 1.1 . . . .
C35B C37B C38B C43B -141.4 . . . .
C35B C37B C49B C44B 143.2 . . . .
C35B C37B C49B C48B 1.1 . . . .
C36B C32B C33B C26B 146.5 . . . .
C36B C32B C33B C34B 2.2 . . . .
C36B C35B C37B C38B 137.7 . . . .
C36B C35B C37B C49B -0.6 . . . .
C36B C50B C51B C52B 143.5 . . . .
C36B C50B C51B C53B -2.1 . . . .
C37B C35B C36B C32B -141.7 . . . .
C37B C35B C36B C50B -0.6 . . . .
C37B C38B C39B C28B -1.8 . . . .
C37B C38B C39B C40B -137.0 . . . .
C37B C38B C43B C42B 140.2 . . . .
C37B C38B C43B C44B -1.5 . . . .
C38B C37B C49B C44B 0.0 . . . .
C38B C37B C49B C48B -142.1 . . . .
C38B C39B C40B C23B 142.3 . . . .
C38B C39B C40B C41B -2.0 . . . .
C38B C43B C44B C45B 141.7 . . . .
C38B C43B C44B C49B 1.5 . . . .
C39B C28B C34B C33B -140.7 . . . .
C39B C28B C34B C35B 0.5 . . . .
C39B C38B C43B C42B -1.5 . . . .
C39B C38B C43B C44B -143.2 . . . .
C39B C40B C41B C42B 3.0 . . . .
C39B C40B C41B C70B 139.5 . . . .
C40B C23B C24B C25B -147.7 . . . .
C40B C23B C24B C28B -1.6 . . . .
C40B C41B C42B C43B -3.2 . . . .
C40B C41B C42B C61B 141.5 . . . .
C40B C41B C70B C62B -141.5 . . . .
C40B C41B C70B C63B 4.4 . . . .
C41B C42B C43B C38B 2.5 . . . .
C41B C42B C43B C44B 138.7 . . . .
C41B C42B C61B C60B -144.2 . . . .
C41B C42B C61B C62B -0.4 . . . .
C42B C41B C70B C62B -0.8 . . . .
C42B C41B C70B C63B 145.1 . . . .
C42B C43B C44B C45B 0.4 . . . .
C42B C43B C44B C49B -139.8 . . . .
C42B C61B C62B C64B -145.5 . . . .
C42B C61B C62B C70B -0.1 . . . .
C43B C38B C39B C28B 136.4 . . . .
C43B C38B C39B C40B 1.2 . . . .
C43B C42B C61B C60B 0.2 . . . .
C43B C42B C61B C62B 144.0 . . . .
C43B C44B C45B C46B -138.2 . . . .
C43B C44B C45B C60B 0.9 . . . .
C43B C44B C49B C37B -1.0 . . . .
C43B C44B C49B C48B 139.5 . . . .
C44B C45B C46B C47B 1.8 . . . .
C44B C45B C46B C58B 144.9 . . . .
C44B C45B C60B C59B -143.2 . . . .
C44B C45B C60B C61B -1.8 . . . .
C45B C44B C49B C37B -140.5 . . . .
C45B C44B C49B C48B 0.0 . . . .
C45B C46B C47B C48B -0.4 . . . .
C45B C46B C47B C52B 136.5 . . . .
C45B C46B C58B C57B -145.8 . . . .
C45B C46B C58B C59B -1.8 . . . .
C45B C60B C61B C42B 1.2 . . . .
C45B C60B C61B C62B -138.7 . . . .
C46B C45B C60B C59B -0.8 . . . .
C46B C45B C60B C61B 140.6 . . . .
C46B C47B C48B C49B -1.3 . . . .
C46B C47B C48B C50B 142.6 . . . .
C46B C47B C52B C51B -141.4 . . . .
C46B C47B C52B C56B 6.8 . . . .
C46B C58B C59B C60B 1.3 . . . .
C46B C58B C59B C65B -148.0 . . . .
C47B C46B C58B C57B -0.1 . . . .
C47B C46B C58B C59B 143.9 . . . .
C47B C48B C49B C37B 137.6 . . . .
C47B C48B C49B C44B 1.4 . . . .
C47B C48B C50B C36B -143.2 . . . .
C47B C48B C50B C51B 0.4 . . . .
C47B C52B C56B C55B -156.0 . . . .
C47B C52B C56B C57B -5.6 . . . .
C48B C47B C52B C51B -0.3 . . . .
C48B C47B C52B C56B 147.9 . . . .
C48B C50B C51B C52B -0.6 . . . .
C48B C50B C51B C53B -146.2 . . . .
C49B C37B C38B C39B 143.4 . . . .
C49B C37B C38B C43B 0.9 . . . .
C49B C44B C45B C46B -1.6 . . . .
C49B C44B C45B C60B 137.5 . . . .
C49B C48B C50B C36B -0.9 . . . .
C49B C48B C50B C51B 142.7 . . . .
C50B C48B C49B C37B -0.3 . . . .
C50B C48B C49B C44B -136.5 . . . .
C50B C51B C52B C47B 0.5 . . . .
C50B C51B C52B C56B -148.4 . . . .
C50B C51B C53B C31B 2.7 . . . .
C50B C51B C53B C54B 153.3 . . . .
C51B C52B C56B C55B -10.7 . . . .
C51B C52B C56B C57B 139.7 . . . .
C51B C53B C54B C14B -154.7 . . . .
C51B C53B C54B C55B -12.7 . . . .
C52B C47B C48B C49B -144.0 . . . .
C52B C47B C48B C50B -0.1 . . . .
C52B C51B C53B C31B -137.7 . . . .
C52B C51B C53B C54B 12.9 . . . .
C52B C56B C57B C58B 1.7 . . . .
C52B C56B C57B C66B -149.6 . . . .
C53B C31B C32B C33B 139.0 . . . .
C53B C31B C32B C36B -4.5 . . . .
C53B C51B C52B C47B 147.7 . . . .
C53B C51B C52B C56B -1.2 . . . .
C53B C54B C55B C16B -148.2 . . . .
C53B C54B C55B C56B 0.4 . . . .
C54B C14B C15B C12B -142.0 . . . .
C54B C14B C15B C16B -0.6 . . . .
C54B C55B C56B C52B 11.3 . . . .
C54B C55B C56B C57B -138.6 . . . .
C55B C16B C17B C18B -136.7 . . . .
C55B C16B C17B C66B -0.4 . . . .
C55B C56B C57B C58B 150.9 . . . .
C55B C56B C57B C66B -0.4 . . . .
C56B C57B C58B C46B 1.1 . . . .
C56B C57B C58B C59B -137.2 . . . .
C56B C57B C66B C17B -5.7 . . . .
C56B C57B C66B C67B 139.8 . . . .
C57B C58B C59B C60B 145.6 . . . .
C57B C58B C59B C65B -3.7 . . . .
C57B C66B C67B C19B -146.3 . . . .
C57B C66B C67B C65B -1.3 . . . .
C58B C46B C47B C48B -140.7 . . . .
C58B C46B C47B C52B -3.8 . . . .
C58B C57B C66B C17B -157.7 . . . .
C58B C57B C66B C67B -12.3 . . . .
C58B C59B C60B C45B -0.4 . . . .
C58B C59B C60B C61B -143.1 . . . .
C58B C59B C65B C64B 139.4 . . . .
C58B C59B C65B C67B -10.1 . . . .
C59B C60B C61B C42B 138.8 . . . .
C59B C60B C61B C62B -1.1 . . . .
C59B C65B C67B C19B 154.1 . . . .
C59B C65B C67B C66B 12.7 . . . .
C60B C45B C46B C47B -141.5 . . . .
C60B C45B C46B C58B 1.6 . . . .
C60B C59B C65B C64B -5.4 . . . .
C60B C59B C65B C67B -155.0 . . . .
C60B C61B C62B C64B -2.5 . . . .
C60B C61B C62B C70B 142.9 . . . .
C61B C42B C43B C38B -137.2 . . . .
C61B C42B C43B C44B -1.0 . . . .
C61B C62B C64B C65B 2.2 . . . .
C61B C62B C64B C68B 153.0 . . . .
C61B C62B C70B C41B 0.6 . . . .
C61B C62B C70B C63B -145.6 . . . .
C62B C64B C65B C59B 1.7 . . . .
C62B C64B C65B C67B 151.2 . . . .
C62B C64B C68B C20B -156.8 . . . .
C62B C64B C68B C69B -11.5 . . . .
C63B C22B C23B C24B -140.8 . . . .
C63B C22B C23B C40B 3.0 . . . .
C64B C62B C70B C41B 146.4 . . . .
C64B C62B C70B C63B 0.2 . . . .
C64B C65B C67B C19B 4.4 . . . .
C64B C65B C67B C66B -137.0 . . . .
C64B C68B C69B C8B -148.9 . . . .
C64B C68B C69B C63B -2.1 . . . .
C65B C59B C60B C45B 148.0 . . . .
C65B C59B C60B C61B 5.2 . . . .
C65B C64B C68B C20B -6.2 . . . .
C65B C64B C68B C69B 139.1 . . . .
C66B C17B C18B C11B -141.9 . . . .
C66B C17B C18B C19B -1.4 . . . .
C66B C57B C58B C46B 153.1 . . . .
C66B C57B C58B C59B 14.8 . . . .
C67B C19B C20B C9B -139.6 . . . .
C67B C19B C20B C68B 0.0 . . . .
C68B C64B C65B C59B -148.5 . . . .
C68B C64B C65B C67B 1.1 . . . .
C69B C8B C9B C10B 143.0 . . . .
C69B C8B C9B C20B -0.2 . . . .
C69B C63B C70B C41B -155.1 . . . .
C69B C63B C70B C62B -13.5 . . . .
C70B C41B C42B C43B -144.1 . . . .
C70B C41B C42B C61B 0.7 . . . .
C70B C62B C64B C65B -138.5 . . . .
C70B C62B C64B C68B 12.3 . . . .
C70B C63B C69B C8B 157.8 . . . .
C70B C63B C69B C68B 14.5 . . . .
