#------------------------------------------------------------------------------
#$Date: 2017-09-06 04:22:55 +0300 (Wed, 06 Sep 2017) $
#$Revision: 200190 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/06/7120614.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_7120614
loop_
_publ_author_name
'Wang, Hailong'
'Bao, Zongbi'
'Wu, Hui'
'Lin, Rui-Biao'
'Zhou, Wei'
'Hu, Tong-Liang'
'Li, Bin'
'Zhao, John Cong-Gui'
'Chen, Banglin'
_publ_section_title
;
 Two solvent-induced porous hydrogen-bonded organic frameworks: solvent
 effects on structures and functionalities
;
_journal_name_full               'Chem. Commun.'
_journal_paper_doi               10.1039/C7CC06187K
_journal_year                    2017
_chemical_formula_sum            'C62 H84 N22 O7 S'
_chemical_formula_weight         1281.57
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-08-06 deposited with the CCDC.
2017-08-23 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 92.692(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.6470(5)
_cell_length_b                   22.0832(5)
_cell_length_c                   14.1759(3)
_cell_measurement_reflns_used    8403
_cell_measurement_temperature    100.00(16)
_cell_measurement_theta_max      73.2010
_cell_measurement_theta_min      3.9570
_cell_volume                     6769.1(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100.00(16)
_diffrn_detector_area_resol_mean 10.5148
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0590
_diffrn_reflns_av_sigmaI/netI    0.0430
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            19963
_diffrn_reflns_theta_full        63.00
_diffrn_reflns_theta_max         63.00
_diffrn_reflns_theta_min         4.00
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.977
_exptl_absorpt_correction_T_max  0.9086
_exptl_absorpt_correction_T_min  0.8438
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.258
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2728
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.173
_refine_diff_density_min         -1.611
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.708
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     573
_refine_ls_number_reflns         5477
_refine_ls_number_restraints     1850
_refine_ls_restrained_S_all      1.696
_refine_ls_R_factor_all          0.1369
_refine_ls_R_factor_gt           0.1243
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3612
_refine_ls_wR_factor_ref         0.3846
_reflns_number_gt                4527
_reflns_number_total             5477
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7cc06187k2.cif
_cod_data_source_block           HOF-5
_cod_original_sg_symbol_Hall     ' -C 2yc  '
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7120614
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
N1 N 0.65269(14) 0.90116(13) 0.5753(2) 0.0221(7) Uani 1 1 d U A 2
N2 N 0.65165(15) 0.92294(14) 0.7412(2) 0.0268(8) Uani 1 1 d U A 2
N3 N 0.56867(14) 0.86758(12) 0.6634(2) 0.0228(7) Uani 1 1 d U A 2
N4 N 0.73331(15) 0.95012(16) 0.6527(2) 0.0322(8) Uani 1 1 d U A 2
H4A H 0.7511 0.9655 0.7026 0.039 Uiso 1 1 calc R A 2
H4B H 0.7512 0.9515 0.5999 0.039 Uiso 1 1 calc R A 2
N5 N 0.56869(16) 0.88980(16) 0.8222(2) 0.0318(8) Uani 1 1 d U A 2
H5A H 0.5853 0.9054 0.8728 0.038 Uiso 1 1 calc R A 2
H5B H 0.5337 0.8715 0.8239 0.038 Uiso 1 1 calc R A 2
N6 N 0.70241(14) 0.55037(12) 0.5291(2) 0.0215(7) Uani 1 1 d U B 2
N7 N 0.70329(15) 0.49638(13) 0.6754(2) 0.0273(8) Uani 1 1 d U B 2
N8 N 0.60857(15) 0.53404(14) 0.6048(2) 0.0261(7) Uani 1 1 d U B 2
N9 N 0.79261(15) 0.51158(15) 0.5985(2) 0.0316(8) Uani 1 1 d U B 2
H9A H 0.8122 0.4922 0.6432 0.038 Uiso 1 1 calc R B 2
H9B H 0.8124 0.5258 0.5521 0.038 Uiso 1 1 calc R B 2
N10 N 0.61063(17) 0.48409(16) 0.7454(2) 0.0356(9) Uani 1 1 d U B 2
H10A H 0.6298 0.4653 0.7912 0.043 Uiso 1 1 calc R B 2
H10B H 0.5713 0.4892 0.7459 0.043 Uiso 1 1 calc R B 2
N11 N 0.9339(4) 0.4644(4) 0.3979(6) 0.082(3) Uani 0.50 1 d PDU C 1
N12 N 0.5000 0.6566(3) 0.7500 0.109(3) Uani 1 2 d SDU . .
O1 O 0.7413(6) 0.7953(6) 0.4008(11) 0.118(3) Uani 0.492(8) 1 d PDU D 1
O2 O 0.7551(7) 0.8283(7) 0.3079(14) 0.134(4) Uani 0.508(8) 1 d PDU D 2
O3 O 0.6358(7) 0.6165(6) -0.0497(11) 0.169(4) Uani 0.690(10) 1 d PDU E 1
O4 O 0.6484(14) 0.7224(11) -0.019(2) 0.153(4) Uani 0.310(10) 1 d PDU E 2
O5 O 0.9188(4) 0.4848(4) 0.5410(6) 0.081(3) Uani 0.50 1 d PDU F 1
O6 O 0.5000 0.5557(2) 0.7500 0.0681(16) Uani 1 2 d SDU . .
C1 C 0.67823(17) 0.92422(15) 0.6572(2) 0.0235(8) Uani 1 1 d U . .
C2 C 0.59723(17) 0.89402(15) 0.7407(2) 0.0231(8) Uani 1 1 d U . .
C3 C 0.59922(16) 0.87346(13) 0.5838(2) 0.0183(8) Uani 1 1 d U . .
C4 C 0.57064(16) 0.84461(13) 0.4966(2) 0.0186(8) Uani 1 1 d U A .
C5 C 0.52265(18) 0.80441(17) 0.5020(3) 0.0280(8) Uani 1 1 d U . .
H5 H 0.5058 0.7971 0.5600 0.034 Uiso 1 1 calc R A .
C6 C 0.49871(18) 0.77424(16) 0.4218(3) 0.0283(9) Uani 1 1 d U A .
H6 H 0.4663 0.7469 0.4269 0.034 Uiso 1 1 calc R . .
C7 C 0.52326(16) 0.78497(13) 0.3341(2) 0.0182(8) Uani 1 1 d U . .
C8 C 0.5707(2) 0.82702(17) 0.3289(3) 0.0311(9) Uani 1 1 d U A .
H8 H 0.5867 0.8358 0.2707 0.037 Uiso 1 1 calc R . .
C9 C 0.5946(2) 0.85614(17) 0.4094(3) 0.0321(9) Uani 1 1 d U . .
H9 H 0.6270 0.8835 0.4048 0.039 Uiso 1 1 calc R A .
C10 C 0.73181(17) 0.51963(14) 0.6010(3) 0.0234(8) Uani 1 1 d U . .
C11 C 0.64194(18) 0.50524(16) 0.6737(3) 0.0260(8) Uani 1 1 d U . .
C12 C 0.64183(16) 0.55532(14) 0.5361(2) 0.0206(8) Uani 1 1 d U . .
C13 C 0.60566(16) 0.58835(14) 0.4603(2) 0.0191(7) Uani 1 1 d U B .
C14 C 0.54374(17) 0.57549(14) 0.4415(3) 0.0229(8) Uani 1 1 d U . .
H14 H 0.5249 0.5454 0.4758 0.027 Uiso 1 1 calc R B .
C15 C 0.50930(16) 0.60685(14) 0.3721(2) 0.0211(8) Uani 1 1 d U B .
H15 H 0.4682 0.5966 0.3586 0.025 Uiso 1 1 calc R . .
C16 C 0.53645(16) 0.65371(13) 0.3228(2) 0.0184(8) Uani 1 1 d U . .
C17 C 0.59923(16) 0.66649(13) 0.3405(2) 0.0187(8) Uani 1 1 d U B .
H17 H 0.6179 0.6970 0.3067 0.022 Uiso 1 1 calc R . .
C18 C 0.63400(16) 0.63391(13) 0.4084(2) 0.0190(7) Uani 1 1 d U . .
H18 H 0.6758 0.6423 0.4193 0.023 Uiso 1 1 calc R B .
C19 C 0.5000 0.7501(2) 0.2500 0.0176(10) Uani 1 2 d SU . .
C20 C 0.5000 0.6891(2) 0.2500 0.0181(10) Uani 1 2 d SU . .
C21 C 0.7914(9) 0.7527(8) 0.4092(13) 0.119(4) Uani 0.492(8) 1 d PDU D 1
H21A H 0.7811 0.7188 0.4491 0.142 Uiso 0.492(8) 1 calc PR D 1
H21B H 0.8288 0.7719 0.4353 0.142 Uiso 0.492(8) 1 calc PR D 1
C22 C 0.7993(13) 0.7323(9) 0.3080(13) 0.125(4) Uani 0.492(8) 1 d PDU D 1
H22A H 0.7771 0.6948 0.2955 0.150 Uiso 0.492(8) 1 calc PR D 1
H22B H 0.8427 0.7257 0.2970 0.150 Uiso 0.492(8) 1 calc PR D 1
C23 C 0.7733(11) 0.7827(8) 0.2442(12) 0.125(4) Uani 0.492(8) 1 d PDU D 1
H23A H 0.7502 0.7661 0.1899 0.149 Uiso 0.492(8) 1 calc PR D 1
H23B H 0.8062 0.8082 0.2224 0.149 Uiso 0.492(8) 1 calc PR D 1
C24 C 0.7306(10) 0.8186(10) 0.3073(12) 0.113(4) Uani 0.492(8) 1 d PDU D 1
H24A H 0.7403 0.8614 0.3054 0.136 Uiso 0.492(8) 1 calc PR D 1
H24B H 0.6877 0.8130 0.2863 0.136 Uiso 0.492(8) 1 calc PR D 1
C25 C 0.7196(7) 0.7792(7) 0.2651(17) 0.113(3) Uani 0.508(8) 1 d PDU D 2
H25A H 0.7104 0.7861 0.1983 0.136 Uiso 0.508(8) 1 calc PR D 2
H25B H 0.6814 0.7724 0.2966 0.136 Uiso 0.508(8) 1 calc PR D 2
C26 C 0.7650(8) 0.7271(6) 0.282(2) 0.126(3) Uani 0.508(8) 1 d PDU D 2
H26A H 0.7587 0.6960 0.2336 0.151 Uiso 0.508(8) 1 calc PR D 2
H26B H 0.7605 0.7090 0.3433 0.151 Uiso 0.508(8) 1 calc PR D 2
C27 C 0.8285(7) 0.7568(8) 0.275(2) 0.123(4) Uani 0.508(8) 1 d PDU D 2
H27A H 0.8405 0.7586 0.2101 0.147 Uiso 0.508(8) 1 calc PR D 2
H27B H 0.8598 0.7345 0.3121 0.147 Uiso 0.508(8) 1 calc PR D 2
C28 C 0.8202(7) 0.8205(7) 0.3154(18) 0.123(4) Uani 0.508(8) 1 d PDU D 2
H28A H 0.8357 0.8229 0.3806 0.148 Uiso 0.508(8) 1 calc PR D 2
H28B H 0.8411 0.8506 0.2785 0.148 Uiso 0.508(8) 1 calc PR D 2
C29 C 0.7020(7) 0.6151(8) -0.0418(13) 0.147(4) Uani 0.690(10) 1 d PDU E 1
H29A H 0.7188 0.6345 -0.0963 0.177 Uiso 0.690(10) 1 calc PR E 1
H29B H 0.7162 0.5734 -0.0397 0.177 Uiso 0.690(10) 1 calc PR E 1
C30 C 0.7244(6) 0.6481(8) 0.0485(13) 0.144(4) Uani 0.690(10) 1 d PDU E 1
H30A H 0.7506 0.6823 0.0344 0.173 Uiso 0.690(10) 1 calc PR E 1
H30B H 0.7468 0.6211 0.0918 0.173 Uiso 0.690(10) 1 calc PR E 1
C31 C 0.6625(7) 0.6693(9) 0.0892(11) 0.144(4) Uani 0.690(10) 1 d PDU E 1
H31A H 0.6475 0.6404 0.1342 0.173 Uiso 0.690(10) 1 calc PR E 1
H31B H 0.6666 0.7087 0.1190 0.173 Uiso 0.690(10) 1 calc PR E 1
C32 C 0.6202(8) 0.6720(7) -0.0007(13) 0.136(4) Uani 0.690(10) 1 d PDU E 1
H32A H 0.5769 0.6724 0.0144 0.163 Uiso 0.690(10) 1 calc PR E 1
H32B H 0.6289 0.7074 -0.0382 0.163 Uiso 0.690(10) 1 calc PR E 1
C33 C 0.672(2) 0.7172(13) 0.077(2) 0.144(4) Uani 0.310(10) 1 d PDU E 2
H33A H 0.6422 0.7343 0.1193 0.173 Uiso 0.310(10) 1 calc PR E 2
H33B H 0.7103 0.7391 0.0858 0.173 Uiso 0.310(10) 1 calc PR E 2
C34 C 0.682(2) 0.6497(15) 0.099(3) 0.142(4) Uani 0.310(10) 1 d PDU E 2
H34A H 0.7252 0.6388 0.1038 0.170 Uiso 0.310(10) 1 d PR E 2
H34B H 0.6629 0.6388 0.1575 0.170 Uiso 0.310(10) 1 d PR E 2
C35 C 0.651(2) 0.6170(10) 0.014(3) 0.149(5) Uani 0.310(10) 1 d PDU E 2
H35A H 0.6209 0.5876 0.0346 0.179 Uiso 0.310(10) 1 d PR E 2
H35B H 0.6802 0.5966 -0.0247 0.179 Uiso 0.310(10) 1 d PR E 2
C36 C 0.6156(19) 0.6676(14) -0.040(3) 0.148(5) Uani 0.310(10) 1 d PDU E 2
H36A H 0.6139 0.6595 -0.1077 0.177 Uiso 0.310(10) 1 d PR E 2
H36B H 0.5738 0.6730 -0.0202 0.177 Uiso 0.310(10) 1 d PR E 2
C37 C 0.9566(5) 0.4920(4) 0.4781(7) 0.084(3) Uani 0.50 1 d PDU . 1
H37 H 0.9941 0.5124 0.4849 0.100 Uiso 0.50 1 d PR . 1
C38 C 0.8750(3) 0.4405(4) 0.4252(6) 0.0264(16) Uani 0.50 1 d PDU C 1
H38A H 0.8808 0.4163 0.4811 0.040 Uiso 0.50 1 d PR C 1
H38B H 0.8558 0.4165 0.3755 0.040 Uiso 0.50 1 d PR C 1
H38C H 0.8491 0.4745 0.4380 0.040 Uiso 0.50 1 d PR C 1
C39 C 0.9633(8) 0.4628(7) 0.3091(9) 0.088(4) Uani 0.50 1 d PDU C 1
H39A H 0.9651 0.5030 0.2836 0.132 Uiso 0.50 1 calc PR C 1
H39B H 0.9400 0.4372 0.2657 0.132 Uiso 0.50 1 calc PR C 1
H39C H 1.0045 0.4470 0.3185 0.132 Uiso 0.50 1 calc PR C 1
C40 C 0.4926(4) 0.6043(3) 0.7889(8) 0.091(4) Uani 0.50 1 d PDU . .
H40A H 0.4802 0.6037 0.8530 0.109 Uiso 0.50 1 d PR . .
C41 C 0.5203(8) 0.6594(7) 0.6510(7) 0.089(3) Uani 0.50 1 d PDU . .
H41A H 0.5253 0.6190 0.6276 0.133 Uiso 0.50 1 d PR . .
H41B H 0.4896 0.6802 0.6121 0.133 Uiso 0.50 1 d PR . .
H41C H 0.5589 0.6806 0.6493 0.133 Uiso 0.50 1 d PR . .
C42 C 0.4914(8) 0.7157(5) 0.7904(12) 0.114(4) Uani 0.50 1 d PDU . .
H42A H 0.4785 0.7117 0.8540 0.171 Uiso 0.50 1 d PR . .
H42B H 0.5297 0.7377 0.7905 0.171 Uiso 0.50 1 d PR . .
H42C H 0.4603 0.7372 0.7533 0.171 Uiso 0.50 1 d PR . .
S1 S 0.8807(6) 0.4689(5) 0.4104(7) 0.138(3) Uani 0.25 1 d PDU G 2
S2 S 0.8976(4) 0.4077(4) 0.4135(5) 0.095(2) Uani 0.25 1 d PDU G 2
O7 O 0.8986(5) 0.4474(5) 0.5021(5) 0.081(3) Uani 0.50 1 d PDU G 2
C43 C 0.8286(6) 0.4195(8) 0.3484(12) 0.118(4) Uani 0.50 1 d PDU G 2
H43A H 0.8007 0.4437 0.3832 0.177 Uiso 0.25 1 d PR G 2
H43B H 0.8106 0.3803 0.3367 0.177 Uiso 0.25 1 d PR G 2
H43C H 0.8359 0.4388 0.2893 0.177 Uiso 0.25 1 d PR G 2
H43D H 0.7887 0.4205 0.3754 0.177 Uiso 0.25 1 d PR G 2
H43E H 0.8243 0.4307 0.2830 0.177 Uiso 0.25 1 d PR G 2
H43F H 0.8454 0.3793 0.3538 0.177 Uiso 0.25 1 d PR G 2
C44 C 0.9448(7) 0.4522(8) 0.3431(12) 0.099(4) Uani 0.50 1 d PDU G 2
H44A H 0.9206 0.4853 0.3179 0.149 Uiso 0.25 1 d PR G 2
H44B H 0.9596 0.4284 0.2922 0.149 Uiso 0.25 1 d PR G 2
H44C H 0.9794 0.4677 0.3806 0.149 Uiso 0.25 1 d PR G 2
H44D H 0.9786 0.4770 0.3663 0.149 Uiso 0.25 1 d PR G 2
H44E H 0.9562 0.4103 0.3488 0.149 Uiso 0.25 1 d PR G 2
H44F H 0.9352 0.4617 0.2780 0.149 Uiso 0.25 1 d PR G 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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
C3 N1 C1 114.8(3) . .
C2 N2 C1 114.7(3) . .
C3 N3 C2 114.3(3) . .
C1 N4 H4A 120.0 . .
C1 N4 H4B 120.0 . .
H4A N4 H4B 120.0 . .
C2 N5 H5A 120.0 . .
C2 N5 H5B 120.0 . .
H5A N5 H5B 120.0 . .
C12 N6 C10 114.6(3) . .
C11 N7 C10 114.8(3) . .
C12 N8 C11 114.2(3) . .
C10 N9 H9A 120.0 . .
C10 N9 H9B 120.0 . .
H9A N9 H9B 120.0 . .
C11 N10 H10A 120.0 . .
C11 N10 H10B 120.0 . .
H10A N10 H10B 120.0 . .
C37 N11 C39 125.8(10) . .
C37 N11 C38 103.1(7) . .
C39 N11 C38 131.0(10) . .
C37 N11 H44A 130.8 . .
C39 N11 H44A 46.0 . .
C38 N11 H44A 102.1 . .
C37 N11 H44C 81.7 . .
C39 N11 H44C 47.6 . .
C38 N11 H44C 162.5 . .
H44A N11 H44C 86.6 . .
C37 N11 H44D 86.4 . .
C39 N11 H44D 39.7 . .
C38 N11 H44D 170.0 . .
H44A N11 H44D 73.2 . .
H44C N11 H44D 14.7 . .
C37 N11 H44E 130.0 . .
C39 N11 H44E 53.0 . .
C38 N11 H44E 98.2 . .
H44A N11 H44E 86.5 . .
H44C N11 H44E 66.8 . .
H44D N11 H44E 72.8 . .
C40 N12 C40 53.4(10) 2_656 .
C40 N12 C42 178.2(9) 2_656 .
C40 N12 C42 128.2(8) . .
C40 N12 C42 128.2(8) 2_656 2_656
C40 N12 C42 178.2(9) . 2_656
C42 N12 C42 50.2(13) . 2_656
C40 N12 C41 65.7(7) 2_656 .
C40 N12 C41 119.0(8) . .
C42 N12 C41 112.8(9) . .
C42 N12 C41 62.6(9) 2_656 .
C40 N12 C41 119.0(8) 2_656 2_656
C40 N12 C41 65.7(7) . 2_656
C42 N12 C41 62.6(9) . 2_656
C42 N12 C41 112.8(9) 2_656 2_656
C41 N12 C41 175.3(12) . 2_656
C24 O1 C21 113.6(14) . .
C28 O2 C25 116.6(13) . .
C29 O3 C32 103.6(11) . .
C29 O3 H35A 101.1 . .
C32 O3 H35A 84.7 . .
C29 O3 H35B 27.2 . .
C32 O3 H35B 113.7 . .
H35A O3 H35B 77.1 . .
C29 O3 H36A 113.0 . .
C32 O3 H36A 67.0 . .
H35A O3 H36A 139.5 . .
H35B O3 H36A 140.0 . .
C36 O4 C33 106.6(18) . .
C40 O6 C40 56.8(10) . 2_656
N4 C1 N2 118.2(3) . .
N4 C1 N1 116.8(3) . .
N2 C1 N1 124.9(3) . .
N5 C2 N2 118.0(3) . .
N5 C2 N3 117.0(3) . .
N2 C2 N3 125.0(3) . .
N1 C3 N3 126.3(3) . .
N1 C3 C4 116.9(3) . .
N3 C3 C4 116.9(3) . .
C5 C4 C9 119.0(3) . .
C5 C4 C3 120.9(3) . .
C9 C4 C3 120.0(3) . .
C4 C5 C6 121.1(3) . .
C4 C5 H5 119.4 . .
C6 C5 H5 119.4 . .
C7 C6 C5 120.1(3) . .
C7 C6 H6 119.9 . .
C5 C6 H6 119.9 . .
C8 C7 C6 118.3(3) . .
C8 C7 C19 121.8(3) . .
C6 C7 C19 119.9(3) . .
C7 C8 C9 120.9(3) . .
C7 C8 H8 119.5 . .
C9 C8 H8 119.5 . .
C4 C9 C8 120.4(3) . .
C4 C9 H9 119.8 . .
C8 C9 H9 119.8 . .
N9 C10 N7 117.4(3) . .
N9 C10 N6 118.4(3) . .
N7 C10 N6 124.2(3) . .
N10 C11 N7 118.3(3) . .
N10 C11 N8 116.4(3) . .
N7 C11 N8 125.4(3) . .
N6 C12 N8 126.9(3) . .
N6 C12 C13 118.4(3) . .
N8 C12 C13 114.7(3) . .
C14 C13 C18 119.3(3) . .
C14 C13 C12 120.7(3) . .
C18 C13 C12 120.0(3) . .
C13 C14 C15 121.1(3) . .
C13 C14 H14 119.5 . .
C15 C14 H14 119.5 . .
C14 C15 C16 120.0(3) . .
C14 C15 H15 120.0 . .
C16 C15 H15 120.0 . .
C15 C16 C17 119.2(3) . .
C15 C16 C20 121.0(3) . .
C17 C16 C20 119.8(3) . .
C18 C17 C16 120.6(3) . .
C18 C17 H17 119.7 . .
C16 C17 H17 119.7 . .
C17 C18 C13 119.8(3) . .
C17 C18 H18 120.1 . .
C13 C18 H18 120.1 . .
C20 C19 C7 121.18(18) . .
C20 C19 C7 121.18(18) . 2_655
C7 C19 C7 117.6(4) . 2_655
C19 C20 C16 121.65(18) . 2_655
C19 C20 C16 121.65(18) . .
C16 C20 C16 116.7(4) 2_655 .
O1 C21 C22 103.5(13) . .
O1 C21 H21A 111.1 . .
C22 C21 H21A 111.1 . .
O1 C21 H21B 111.1 . .
C22 C21 H21B 111.1 . .
H21A C21 H21B 109.0 . .
C21 C22 C23 106.7(10) . .
C21 C22 H22A 110.4 . .
C23 C22 H22A 110.4 . .
C21 C22 H22B 110.4 . .
C23 C22 H22B 110.4 . .
H22A C22 H22B 108.6 . .
C22 C23 C24 104.3(10) . .
C22 C23 H23A 110.9 . .
C24 C23 H23A 110.9 . .
C22 C23 H23B 110.9 . .
C24 C23 H23B 110.9 . .
H23A C23 H23B 108.9 . .
O1 C24 C23 106.2(13) . .
O1 C24 H24A 110.5 . .
C23 C24 H24A 110.5 . .
O1 C24 H24B 110.5 . .
C23 C24 H24B 110.5 . .
H24A C24 H24B 108.7 . .
O2 C25 C26 100.1(12) . .
O2 C25 H25A 111.8 . .
C26 C25 H25A 111.8 . .
O2 C25 H25B 111.8 . .
C26 C25 H25B 111.8 . .
H25A C25 H25B 109.5 . .
C25 C26 C27 104.0(10) . .
C25 C26 H26A 110.9 . .
C27 C26 H26A 110.9 . .
C25 C26 H26B 110.9 . .
C27 C26 H26B 110.9 . .
H26A C26 H26B 109.0 . .
C26 C27 C28 104.5(11) . .
C26 C27 H27A 110.9 . .
C28 C27 H27A 110.9 . .
C26 C27 H27B 110.9 . .
C28 C27 H27B 110.9 . .
H27A C27 H27B 108.9 . .
O2 C28 C27 102.5(12) . .
O2 C28 H28A 111.3 . .
C27 C28 H28A 111.3 . .
O2 C28 H28B 111.3 . .
C27 C28 H28B 111.3 . .
H28A C28 H28B 109.2 . .
O3 C29 C30 109.3(9) . .
O3 C29 H29A 109.8 . .
C30 C29 H29A 109.8 . .
O3 C29 H29B 109.8 . .
C30 C29 H29B 109.8 . .
H29A C29 H29B 108.3 . .
O3 C29 H35B 47.9 . .
C30 C29 H35B 100.8 . .
H29A C29 H35B 147.7 . .
H29B C29 H35B 69.2 . .
C29 C30 C31 102.0(8) . .
C29 C30 H30A 111.4 . .
C31 C30 H30A 111.4 . .
C29 C30 H30B 111.4 . .
C31 C30 H30B 111.4 . .
H30A C30 H30B 109.2 . .
C29 C30 H34A 132.8 . .
C31 C30 H34A 72.3 . .
H30A C30 H34A 114.2 . .
H30B C30 H34A 40.9 . .
C32 C31 C30 101.2(9) . .
C32 C31 H31A 111.5 . .
C30 C31 H31A 111.5 . .
C32 C31 H31B 111.5 . .
C30 C31 H31B 111.5 . .
H31A C31 H31B 109.3 . .
C32 C31 H34A 128.6 . .
C30 C31 H34A 30.5 . .
H31A C31 H34A 86.7 . .
H31B C31 H34A 105.8 . .
C32 C31 H34B 133.3 . .
C30 C31 H34B 99.2 . .
H31A C31 H34B 22.1 . .
H31B C31 H34B 99.0 . .
H34A C31 H34B 70.3 . .
O3 C32 C31 102.7(10) . .
O3 C32 H32A 111.2 . .
C31 C32 H32A 111.2 . .
O3 C32 H32B 111.2 . .
C31 C32 H32B 111.2 . .
H32A C32 H32B 109.1 . .
O3 C32 H36A 52.6 . .
C31 C32 H36A 146.2 . .
H32A C32 H36A 100.2 . .
H32B C32 H36A 67.4 . .
O3 C32 H36B 97.9 . .
C31 C32 H36B 139.5 . .
H32A C32 H36B 28.2 . .
H32B C32 H36B 92.7 . .
H36A C32 H36B 72.6 . .
O4 C33 C34 108.0(11) . .
O4 C33 H33A 110.1 . .
C34 C33 H33A 110.1 . .
O4 C33 H33B 110.1 . .
C34 C33 H33B 110.1 . .
H33A C33 H33B 108.4 . .
C35 C34 C33 104.2(10) . .
C35 C34 H34A 108.9 . .
C33 C34 H34A 112.5 . .
C35 C34 H34B 111.7 . .
C33 C34 H34B 110.5 . .
H34A C34 H34B 109.0 . .
C34 C35 C36 103.8(11) . .
C34 C35 H35A 110.5 . .
C36 C35 H35A 108.5 . .
C34 C35 H35B 112.9 . .
C36 C35 H35B 112.1 . .
H35A C35 H35B 109.0 . .
O4 C36 C35 106.2(12) . .
O4 C36 H36A 111.3 . .
C35 C36 H36A 110.6 . .
O4 C36 H36B 107.1 . .
C35 C36 H36B 112.8 . .
H36A C36 H36B 108.8 . .
O5 C37 N11 108.5(9) . .
O5 C37 C37 116.2(10) . 5_766
N11 C37 C37 129.8(9) . 5_766
O5 C37 H37 125.8 . .
N11 C37 H37 125.7 . .
C37 C37 H37 21.7 5_766 .
O5 C37 H44C 145.4 . .
N11 C37 H44C 40.0 . .
C37 C37 H44C 90.2 5_766 .
H37 C37 H44C 87.1 . .
N11 C38 H38A 110.1 . .
N11 C38 H38B 111.2 . .
H38A C38 H38B 109.5 . .
N11 C38 H38C 107.1 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
N11 C39 H44A 57.4 . .
H39A C39 H44A 70.2 . .
H39B C39 H44A 85.2 . .
H39C C39 H44A 163.8 . .
N11 C39 H44B 104.2 . .
H39A C39 H44B 140.5 . .
H39B C39 H44B 37.6 . .
H39C C39 H44B 77.1 . .
H44A C39 H44B 113.9 . .
N11 C39 H44C 45.6 . .
H39A C39 H44C 104.3 . .
H39B C39 H44C 144.1 . .
H39C C39 H44C 69.1 . .
H44A C39 H44C 95.0 . .
H44B C39 H44C 114.0 . .
N11 C39 H44D 51.2 . .
H39A C39 H44D 89.7 . .
H39B C39 H44D 157.6 . .
H39C C39 H44D 72.9 . .
H44A C39 H44D 90.9 . .
H44B C39 H44D 128.2 . .
H44C C39 H44D 14.6 . .
N11 C39 H44E 65.0 . .
H39A C39 H44E 174.1 . .
H39B C39 H44E 71.6 . .
H39C C39 H44E 75.2 . .
H44A C39 H44E 104.2 . .
H44B C39 H44E 43.2 . .
H44C C39 H44E 73.6 . .
H44D C39 H44E 88.2 . .
N11 C39 H44F 97.9 . .
H39A C39 H44F 81.5 . .
H39B C39 H44F 36.9 . .
H39C C39 H44F 143.9 . .
H44A C39 H44F 52.1 . .
H44B C39 H44F 73.7 . .
H44C C39 H44F 143.2 . .
H44D C39 H44F 142.8 . .
H44E C39 H44F 96.8 . .
C40 C40 O6 61.6(5) 2_656 .
C40 C40 N12 63.3(5) 2_656 .
O6 C40 N12 124.9(9) . .
C40 C40 C41 126.8(6) 2_656 2_656
O6 C40 C41 171.6(9) . 2_656
N12 C40 C41 63.5(5) . 2_656
C40 C40 H40A 179.1 2_656 .
O6 C40 H40A 117.5 . .
N12 C40 H40A 117.6 . .
C41 C40 H40A 54.1 2_656 .
N12 C41 C40 50.9(5) . 2_656
N12 C41 C42 57.1(6) . 2_656
C40 C41 C42 107.9(8) 2_656 2_656
N12 C41 H41A 109.2 . .
C40 C41 H41A 58.4 2_656 .
C42 C41 H41A 166.3 2_656 .
N12 C41 H41B 109.4 . .
C40 C41 H41B 124.3 2_656 .
C42 C41 H41B 78.1 2_656 .
H41A C41 H41B 109.5 . .
N12 C41 H41C 109.7 . .
C40 C41 H41C 126.0 2_656 .
C42 C41 H41C 77.4 2_656 .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
C42 C42 N12 64.9(7) 2_656 .
C42 C42 C41 125.3(6) 2_656 2_656
N12 C42 C41 60.4(6) . 2_656
C42 C42 H42A 174.7 2_656 .
N12 C42 H42A 109.9 . .
C41 C42 H42A 49.5 2_656 .
C42 C42 H42B 72.5 2_656 .
N12 C42 H42B 109.3 . .
C41 C42 H42B 125.2 2_656 .
H42A C42 H42B 109.5 . .
C42 C42 H42C 73.9 2_656 .
N12 C42 H42C 109.3 . .
C41 C42 H42C 124.9 2_656 .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
O7 S1 C44 103.7(9) . .
O7 S1 C43 112.8(9) . .
C44 S1 C43 95.9(8) . .
O7 S1 H38A 32.6 . .
C44 S1 H38A 102.7 . .
C43 S1 H38A 80.7 . .
O7 S1 H38B 97.8 . .
C44 S1 H38B 86.2 . .
C43 S1 H38B 20.6 . .
H38A S1 H38B 65.3 . .
O7 S1 H38C 79.1 . .
C44 S1 H38C 174.5 . .
C43 S1 H38C 78.6 . .
H38A S1 H38C 77.1 . .
H38B S1 H38C 88.7 . .
O7 S1 H43A 107.7 . .
C44 S1 H43A 125.5 . .
C43 S1 H43A 30.7 . .
H38A S1 H43A 83.1 . .
H38B S1 H43A 46.7 . .
H38C S1 H43A 49.0 . .
O7 S1 H44A 132.3 . .
C44 S1 H44A 32.5 . .
C43 S1 H44A 94.9 . .
H38A S1 H44A 134.8 . .
H38B S1 H44A 96.4 . .
H38C S1 H44A 146.6 . .
H43A S1 H44A 115.0 . .
O7 S2 C43 109.2(7) . .
O7 S2 C44 99.1(8) . .
C43 S2 C44 97.1(8) . .
O7 S2 H38A 31.5 . .
C43 S2 H38A 97.5 . .
C44 S2 H38A 130.3 . .
O7 S2 H38B 107.1 . .
C43 S2 H38B 2.3 . .
C44 S2 H38B 96.6 . .
H38A S2 H38B 96.1 . .
O7 S2 H43F 132.6 . .
C43 S2 H43F 33.4 . .
C44 S2 H43F 110.6 . .
H38A S2 H43F 107.5 . .
H38B S2 H43F 35.7 . .
O7 S2 H44E 117.9 . .
C43 S2 H44E 112.1 . .
C44 S2 H44E 32.7 . .
H38A S2 H44E 145.9 . .
H38B S2 H44E 112.8 . .
H43F S2 H44E 106.6 . .
S1 O7 S2 56.5(6) . .
S1 O7 H38A 81.2 . .
S2 O7 H38A 41.4 . .
S2 C43 S1 47.0(5) . .
S2 C43 H38B 3.5 . .
S1 C43 H38B 43.6 . .
S2 C43 H43A 110.8 . .
S1 C43 H43A 78.5 . .
H38B C43 H43A 107.8 . .
S2 C43 H43B 106.8 . .
S1 C43 H43B 152.1 . .
H38B C43 H43B 109.9 . .
H43A C43 H43B 109.5 . .
S2 C43 H43C 110.9 . .
S1 C43 H43C 91.8 . .
H38B C43 H43C 110.7 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
S2 C43 H43D 123.9 . .
S1 C43 H43D 110.5 . .
H38B C43 H43D 122.6 . .
H43A C43 H43D 35.5 . .
H43B C43 H43D 74.0 . .
H43C C43 H43D 121.7 . .
S2 C43 H43E 126.2 . .
S1 C43 H43E 110.5 . .
H38B C43 H43E 126.9 . .
H43A C43 H43E 108.6 . .
H43B C43 H43E 92.7 . .
H43C C43 H43E 19.1 . .
H43D C43 H43E 109.5 . .
S2 C43 H43F 60.4 . .
S1 C43 H43F 107.4 . .
H38B C43 H43F 63.9 . .
H43A C43 H43F 136.0 . .
H43B C43 H43F 48.0 . .
H43C C43 H43F 113.8 . .
H43D C43 H43F 109.5 . .
H43E C43 H43F 109.5 . .
S1 C44 S2 46.8(5) . .
S1 C44 H44A 67.1 . .
S2 C44 H44A 108.3 . .
S1 C44 H44B 145.3 . .
S2 C44 H44B 110.1 . .
H44A C44 H44B 109.5 . .
S1 C44 H44C 103.8 . .
S2 C44 H44C 110.0 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
S1 C44 H44D 107.6 . .
S2 C44 H44D 125.3 . .
H44A C44 H44D 95.0 . .
H44B C44 H44D 107.1 . .
H44C C44 H44D 17.3 . .
S1 C44 H44E 111.2 . .
S2 C44 H44E 64.4 . .
H44A C44 H44E 154.1 . .
H44B C44 H44E 56.1 . .
H44C C44 H44E 96.1 . .
H44D C44 H44E 109.5 . .
S1 C44 H44F 109.6 . .
S2 C44 H44F 124.1 . .
H44A C44 H44F 52.1 . .
H44B C44 H44F 57.4 . .
H44C C44 H44F 125.8 . .
H44D C44 H44F 109.5 . .
H44E C44 H44F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
N1 C3 1.319(5) .
N1 C1 1.360(4) .
N2 C2 1.340(5) .
N2 C1 1.348(5) .
N3 C3 1.340(5) .
N3 C2 1.364(4) .
N4 C1 1.327(5) .
N4 H4A 0.8600 .
N4 H4B 0.8600 .
N5 C2 1.338(5) .
N5 H5A 0.8600 .
N5 H5B 0.8600 .
N6 C12 1.324(5) .
N6 C10 1.358(4) .
N7 C11 1.341(5) .
N7 C10 1.349(5) .
N8 C12 1.324(5) .
N8 C11 1.347(5) .
N9 C10 1.330(5) .
N9 H9A 0.8600 .
N9 H9B 0.8600 .
N10 C11 1.333(5) .
N10 H10A 0.8600 .
N10 H10B 0.8600 .
N11 C37 1.361(9) .
N11 C39 1.438(8) .
N11 C38 1.448(8) .
N12 C40 1.293(8) 2_656
N12 C40 1.293(8) .
N12 C42 1.441(8) .
N12 C42 1.441(8) 2_656
N12 C41 1.492(8) .
N12 C41 1.492(8) 2_656
O1 C24 1.430(10) .
O1 C21 1.437(10) .
O2 C28 1.418(10) .
O2 C25 1.447(10) .
O3 C29 1.432(9) .
O3 C32 1.456(9) .
O4 C36 1.428(10) .
O4 C33 1.432(10) .
O5 C37 1.249(9) .
O6 C40 1.220(8) .
O6 C40 1.220(8) 2_656
C3 C4 1.499(4) .
C4 C5 1.371(5) .
C4 C9 1.386(5) .
C5 C6 1.396(5) .
C5 H5 0.9300 .
C6 C7 1.395(5) .
C6 H6 0.9300 .
C7 C8 1.389(5) .
C7 C19 1.487(4) .
C8 C9 1.389(5) .
C8 H8 0.9300 .
C9 H9 0.9300 .
C12 C13 1.490(4) .
C13 C14 1.384(5) .
C13 C18 1.405(5) .
C14 C15 1.391(5) .
C14 H14 0.9300 .
C15 C16 1.394(5) .
C15 H15 0.9300 .
C16 C17 1.399(5) .
C16 C20 1.490(4) .
C17 C18 1.394(4) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 C20 1.347(7) .
C19 C7 1.487(4) 2_655
C20 C16 1.490(4) 2_655
C21 C22 1.522(10) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 C23 1.526(10) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 C24 1.535(10) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 C26 1.524(10) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 C27 1.531(10) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 C28 1.533(10) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C29 C30 1.532(9) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C29 H35B 0.6773 .
C30 C31 1.556(9) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C30 H34A 0.8100 .
C31 C32 1.534(10) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C32 H36B 1.0293 .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 C35 1.534(10) .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C35 C36 1.540(10) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 H36A 0.9700 .
C36 H36B 0.9700 .
C37 C37 1.98(2) 5_766
C37 H37 0.9300 .
C38 H38A 0.9600 .
C38 H38B 0.9600 .
C38 H38C 0.9600 .
C39 H39A 0.9600 .
C39 H39B 0.9600 .
C39 H39C 0.9600 .
C40 C40 1.16(2) 2_656
C40 C41 1.519(15) 2_656
C40 H40A 0.9600 .
C41 C40 1.519(15) 2_656
C41 C42 1.52(2) 2_656
C41 H41A 0.9599 .
C41 H41B 0.9599 .
C41 H41C 0.9600 .
C42 C42 1.22(3) 2_656
C42 C41 1.52(2) 2_656
C42 H42A 0.9600 .
C42 H42B 0.9600 .
C42 H42C 0.9600 .
S1 O7 1.420(9) .
S1 C44 1.760(9) .
S1 C43 1.774(9) .
S1 H38A 1.5349 .
S1 H38B 1.3589 .
S1 H38C 0.8128 .
S1 H43A 1.8414 .
S1 H44A 1.6442 .
S2 O7 1.531(8) .
S2 C43 1.738(9) .
S2 C44 1.761(9) .
S2 H38A 1.0592 .
S2 H38B 1.0485 .
S2 H43F 1.5156 .
S2 H44E 1.6016 .
O7 H38A 0.8366 .
C43 H38B 0.6921 .
C43 H43A 0.9601 .
C43 H43B 0.9599 .
C43 H43C 0.9600 .
C43 H43D 0.9600 .
C43 H43E 0.9600 .
C43 H43F 0.9599 .
C44 H44A 0.9600 .
C44 H44B 0.9599 .
C44 H44C 0.9600 .
C44 H44D 0.9599 .
C44 H44E 0.9600 .
C44 H44F 0.9600 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N5 H5A O7 0.86 2.02 2.856(8) 165.1 4_656
N10 H10B O6 0.86 2.13 2.873(5) 144.0 .
N4 H4A N7 0.86 2.07 2.924(4) 175.8 4_656
N4 H4B N6 0.86 2.13 2.986(4) 176.6 7_666
N5 H5B N3 0.86 2.23 3.030(5) 154.0 2_656
N9 H9A N2 0.86 2.35 3.193(4) 167.2 4_646
N9 H9B N1 0.86 2.56 3.385(4) 160.4 7_666
