#------------------------------------------------------------------------------
#$Date: 2021-01-04 00:55:08 +0200 (Mon, 04 Jan 2021) $
#$Revision: 260400 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/99/1559922.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_1559922
loop_
_publ_author_name
'Aouina, Aroua'
'Oloyede, Hammed Olawale'
'Akong, Raymond Akong'
'Abdelhak, Jawher'
'Görls, Helmar'
'Plass, Winfried'
'Eseola, Abiodun Omokehinde'
_publ_section_title
;
 Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent
 Detection of Mercury(II) by a Series of Large Stokes Shift
 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes
;
_journal_issue                   52
_journal_name_full
'Industrial & Engineering Chemistry Research'
_journal_page_first              22398
_journal_page_last               22412
_journal_paper_doi               10.1021/acs.iecr.0c05087
_journal_volume                  59
_journal_year                    2020
_chemical_formula_sum            'C68 H50 Cl8 Hg3 N6'
_chemical_formula_weight         1836.51
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 118.8020(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.9310(5)
_cell_length_b                   17.1047(3)
_cell_length_c                   19.0875(4)
_cell_measurement_reflns_used    26574
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      27.462
_cell_measurement_theta_min      1.636
_cell_volume                     7132.7(3)
_computing_cell_refinement       DENZO
_computing_data_collection       COLLECT
_computing_data_reduction        DENZO
_computing_molecular_graphics    SHELXTL/PC
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'phi- + omega-scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0487
_diffrn_reflns_av_unetI/netI     0.0376
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            26574
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.462
_diffrn_reflns_theta_min         1.636
_exptl_absorpt_coefficient_mu    6.783
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5698
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker-AXS, 2002'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.710
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3504
_exptl_crystal_size_max          0.078
_exptl_crystal_size_mid          0.074
_exptl_crystal_size_min          0.072
_refine_diff_density_max         2.203
_refine_diff_density_min         -0.973
_refine_diff_density_rms         0.140
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     389
_refine_ls_number_reflns         8150
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0506
_refine_ls_R_factor_gt           0.0393
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0232P)²+84.8789P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0810
_refine_ls_wR_factor_ref         0.0861
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6896
_reflns_number_total             8150
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ie0c05087_si_002.cif
_cod_data_source_block           FO6769_Hg-L10.acn
_cod_original_cell_volume        7132.7(2)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1559922
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.620
_shelx_estimated_absorpt_t_max   0.641
loop_
_space_group_symop_operation_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_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
Hg1 Hg 0.66248(2) 0.70025(2) 0.40311(2) 0.03205(7) Uani 1 1 d . . . . .
Hg2 Hg 0.500000 0.73256(2) 0.250000 0.02550(8) Uani 1 2 d S T P . .
Cl1 Cl 0.57651(6) 0.81446(7) 0.36796(8) 0.0262(3) Uani 1 1 d . . . . .
Cl2 Cl 0.74272(7) 0.75907(11) 0.39461(11) 0.0452(4) Uani 1 1 d . . . . .
Cl3 Cl 0.61273(7) 0.60421(9) 0.43629(10) 0.0386(3) Uani 1 1 d . . . . .
Cl4 Cl 0.42059(6) 0.67252(8) 0.27318(8) 0.0267(3) Uani 1 1 d . . . . .
N1 N 0.65547(18) 0.2812(2) 0.6019(3) 0.0175(8) Uani 1 1 d . . . . .
N2 N 0.56108(17) 0.2918(2) 0.5131(2) 0.0148(8) Uani 1 1 d . . . . .
C1 C 0.6077(2) 0.2408(3) 0.5478(3) 0.0175(10) Uani 1 1 d . . . . .
C2 C 0.5797(2) 0.3664(3) 0.5453(3) 0.0145(9) Uani 1 1 d . . . . .
C3 C 0.6401(2) 0.3593(3) 0.6015(3) 0.0150(9) Uani 1 1 d . . . . .
C4 C 0.6856(2) 0.4160(3) 0.6548(3) 0.0173(10) Uani 1 1 d . . . . .
C5 C 0.6904(2) 0.4890(3) 0.6261(3) 0.0249(11) Uani 1 1 d . . . . .
H5A H 0.662900 0.503235 0.572398 0.030 Uiso 1 1 calc R U . . .
C6 C 0.7352(3) 0.5409(4) 0.6760(4) 0.0385(15) Uani 1 1 d . . . . .
H6A H 0.738962 0.590293 0.656051 0.046 Uiso 1 1 calc R U . . .
C7 C 0.7751(2) 0.5210(3) 0.7555(4) 0.0342(14) Uani 1 1 d . . . . .
H7A H 0.805507 0.556925 0.789772 0.041 Uiso 1 1 calc R U . . .
C8 C 0.7699(2) 0.4486(3) 0.7840(3) 0.0287(12) Uani 1 1 d . . . . .
H8A H 0.796713 0.435089 0.838087 0.034 Uiso 1 1 calc R U . . .
C9 C 0.7262(2) 0.3960(3) 0.7345(3) 0.0207(10) Uani 1 1 d . . . . .
H9A H 0.723575 0.346034 0.754330 0.025 Uiso 1 1 calc R U . . .
C10 C 0.5387(2) 0.4348(3) 0.5216(3) 0.0127(9) Uani 1 1 d . . . . .
C11 C 0.5372(2) 0.4820(3) 0.5806(3) 0.0170(9) Uani 1 1 d . . . . .
H11A H 0.562423 0.469588 0.635421 0.020 Uiso 1 1 calc R U . . .
C12 C 0.4991(2) 0.5467(3) 0.5591(3) 0.0162(9) Uani 1 1 d . . . . .
H12A H 0.498559 0.578771 0.599435 0.019 Uiso 1 1 calc R U . . .
C13 C 0.4996(2) 0.2683(3) 0.4547(3) 0.0193(10) Uani 1 1 d . . . . .
C14 C 0.4887(2) 0.2487(3) 0.3781(3) 0.0260(11) Uani 1 1 d . . . . .
H14A H 0.520463 0.251118 0.364146 0.031 Uiso 1 1 calc R U . . .
C15 C 0.4297(3) 0.2254(4) 0.3225(4) 0.0467(17) Uani 1 1 d . . . . .
H15A H 0.420677 0.211011 0.269845 0.056 Uiso 1 1 calc R U . . .
C16 C 0.3842(3) 0.2234(4) 0.3447(4) 0.0502(19) Uani 1 1 d . . . . .
H16A H 0.343988 0.207651 0.306719 0.060 Uiso 1 1 calc R U . . .
C17 C 0.3963(3) 0.2437(4) 0.4206(4) 0.0355(14) Uani 1 1 d . . . . .
H17A H 0.364370 0.242378 0.434220 0.043 Uiso 1 1 calc R U . . .
C18 C 0.4547(2) 0.2660(3) 0.4775(3) 0.0208(10) Uani 1 1 d . . . . .
H18A H 0.463566 0.279189 0.530312 0.025 Uiso 1 1 calc R U . . .
C19 C 0.6058(2) 0.1568(3) 0.5312(3) 0.0176(10) Uani 1 1 d . . . . .
C20 C 0.5863(2) 0.1042(3) 0.5713(3) 0.0204(10) Uani 1 1 d . . . . .
C21 C 0.5725(2) 0.1275(3) 0.6328(3) 0.0267(12) Uani 1 1 d . . . . .
H21A H 0.574778 0.181315 0.646409 0.032 Uiso 1 1 calc R U . . .
C22 C 0.5563(2) 0.0748(3) 0.6721(3) 0.0276(12) Uani 1 1 d . . . . .
H22A H 0.547922 0.091543 0.713239 0.033 Uiso 1 1 calc R U . . .
C23 C 0.5520(2) -0.0058(4) 0.6515(4) 0.0297(12) Uani 1 1 d . . . . .
H23A H 0.540168 -0.042373 0.679005 0.036 Uiso 1 1 calc R U . . .
C24 C 0.5642(2) -0.0312(3) 0.5939(3) 0.0261(11) Uani 1 1 d . . . . .
H24A H 0.560312 -0.085185 0.580724 0.031 Uiso 1 1 calc R U . . .
C25 C 0.5831(2) 0.0228(3) 0.5523(3) 0.0193(10) Uani 1 1 d . . . . .
C26 C 0.5969(2) -0.0026(3) 0.4934(3) 0.0245(11) Uani 1 1 d . . . . .
H26A H 0.592614 -0.056439 0.479512 0.029 Uiso 1 1 calc R U . . .
C27 C 0.6170(2) 0.0490(3) 0.4543(3) 0.0229(11) Uani 1 1 d . . . . .
C28 C 0.6321(3) 0.0233(3) 0.3950(3) 0.0338(13) Uani 1 1 d . . . . .
H28A H 0.627506 -0.030275 0.380230 0.041 Uiso 1 1 calc R U . . .
C29 C 0.6533(3) 0.0747(4) 0.3591(3) 0.0339(13) Uani 1 1 d . . . . .
H29A H 0.662671 0.056880 0.319060 0.041 Uiso 1 1 calc R U . . .
C30 C 0.6612(3) 0.1546(4) 0.3816(3) 0.0318(13) Uani 1 1 d . . . . .
H30A H 0.677895 0.189380 0.358309 0.038 Uiso 1 1 calc R U . . .
C31 C 0.6455(2) 0.1822(3) 0.4357(3) 0.0259(11) Uani 1 1 d . . . . .
H31A H 0.649953 0.236341 0.448501 0.031 Uiso 1 1 calc R U . . .
C32 C 0.6222(2) 0.1309(3) 0.4739(3) 0.0211(10) Uani 1 1 d . . . . .
N1AA N 0.7657(2) 0.1907(3) 0.6737(4) 0.0557(19) Uani 1 1 d . . . . .
C1AA C 0.8067(4) 0.1518(4) 0.7147(5) 0.0538(19) Uani 1 1 d . . . . .
C2AA C 0.8605(3) 0.1004(5) 0.7615(5) 0.061(2) Uani 1 1 d . . . . .
H2A1 H 0.847887 0.045500 0.750400 0.092 Uiso 1 1 calc R U . . .
H2A2 H 0.877027 0.110775 0.818692 0.092 Uiso 1 1 calc R U . . .
H2A3 H 0.892124 0.110915 0.746150 0.092 Uiso 1 1 calc R U . . .
H1N1 H 0.689(2) 0.261(3) 0.627(3) 0.013(13) Uiso 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Hg Hg -2.3894 9.2266 '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
_geom_angle_publ_flag
Cl2 Hg1 Cl3 156.92(6) . . ?
Cl2 Hg1 Cl1 105.91(5) . . ?
Cl3 Hg1 Cl1 96.53(5) . . ?
Cl4 Hg2 Cl4 130.49(6) . 2_655 ?
Cl4 Hg2 Cl1 93.65(4) . 2_655 ?
Cl4 Hg2 Cl1 113.29(4) 2_655 2_655 ?
Cl4 Hg2 Cl1 113.29(4) . . ?
Cl4 Hg2 Cl1 93.65(4) 2_655 . ?
Cl1 Hg2 Cl1 113.52(6) 2_655 . ?
Hg2 Cl1 Hg1 89.35(4) . . ?
C1 N1 C3 110.7(4) . . ?
C1 N1 H1N1 121(4) . . ?
C3 N1 H1N1 128(4) . . ?
C1 N2 C2 110.5(4) . . ?
C1 N2 C13 122.8(4) . . ?
C2 N2 C13 126.6(4) . . ?
N1 C1 N2 106.4(4) . . ?
N1 C1 C19 126.9(4) . . ?
N2 C1 C19 126.7(4) . . ?
C3 C2 N2 105.8(4) . . ?
C3 C2 C10 130.5(4) . . ?
N2 C2 C10 123.7(4) . . ?
C2 C3 N1 106.6(4) . . ?
C2 C3 C4 132.6(4) . . ?
N1 C3 C4 120.8(4) . . ?
C5 C4 C9 119.4(5) . . ?
C5 C4 C3 120.3(5) . . ?
C9 C4 C3 120.3(4) . . ?
C6 C5 C4 119.8(5) . . ?
C6 C5 H5A 120.1 . . ?
C4 C5 H5A 120.1 . . ?
C5 C6 C7 120.5(6) . . ?
C5 C6 H6A 119.8 . . ?
C7 C6 H6A 119.8 . . ?
C8 C7 C6 119.5(5) . . ?
C8 C7 H7A 120.3 . . ?
C6 C7 H7A 120.3 . . ?
C9 C8 C7 120.6(5) . . ?
C9 C8 H8A 119.7 . . ?
C7 C8 H8A 119.7 . . ?
C8 C9 C4 120.2(5) . . ?
C8 C9 H9A 119.9 . . ?
C4 C9 H9A 119.9 . . ?
C11 C10 C12 119.4(4) . 5_666 ?
C11 C10 C2 119.5(4) . . ?
C12 C10 C2 121.1(4) 5_666 . ?
C12 C11 C10 120.2(4) . . ?
C12 C11 H11A 119.9 . . ?
C10 C11 H11A 119.9 . . ?
C11 C12 C10 120.4(4) . 5_666 ?
C11 C12 H12A 119.8 . . ?
C10 C12 H12A 119.8 5_666 . ?
C18 C13 C14 123.0(5) . . ?
C18 C13 N2 118.8(4) . . ?
C14 C13 N2 118.2(4) . . ?
C13 C14 C15 118.0(5) . . ?
C13 C14 H14A 121.0 . . ?
C15 C14 H14A 121.0 . . ?
C16 C15 C14 119.5(6) . . ?
C16 C15 H15A 120.3 . . ?
C14 C15 H15A 120.3 . . ?
C17 C16 C15 121.2(6) . . ?
C17 C16 H16A 119.4 . . ?
C15 C16 H16A 119.4 . . ?
C16 C17 C18 120.7(6) . . ?
C16 C17 H17A 119.7 . . ?
C18 C17 H17A 119.7 . . ?
C13 C18 C17 117.7(5) . . ?
C13 C18 H18A 121.1 . . ?
C17 C18 H18A 121.1 . . ?
C20 C19 C32 121.6(4) . . ?
C20 C19 C1 119.5(4) . . ?
C32 C19 C1 118.9(4) . . ?
C19 C20 C25 118.5(5) . . ?
C19 C20 C21 123.2(5) . . ?
C25 C20 C21 118.2(5) . . ?
C22 C21 C20 121.5(5) . . ?
C22 C21 H21A 119.3 . . ?
C20 C21 H21A 119.3 . . ?
C21 C22 C23 119.8(5) . . ?
C21 C22 H22A 120.1 . . ?
C23 C22 H22A 120.1 . . ?
C24 C23 C22 121.4(5) . . ?
C24 C23 H23A 119.3 . . ?
C22 C23 H23A 119.3 . . ?
C23 C24 C25 120.5(5) . . ?
C23 C24 H24A 119.8 . . ?
C25 C24 H24A 119.8 . . ?
C26 C25 C20 120.0(5) . . ?
C26 C25 C24 121.4(5) . . ?
C20 C25 C24 118.6(5) . . ?
C27 C26 C25 121.7(5) . . ?
C27 C26 H26A 119.1 . . ?
C25 C26 H26A 119.1 . . ?
C26 C27 C28 122.0(5) . . ?
C26 C27 C32 119.2(5) . . ?
C28 C27 C32 118.7(5) . . ?
C29 C28 C27 121.0(5) . . ?
C29 C28 H28A 119.5 . . ?
C27 C28 H28A 119.5 . . ?
C28 C29 C30 119.9(5) . . ?
C28 C29 H29A 120.1 . . ?
C30 C29 H29A 120.1 . . ?
C31 C30 C29 121.2(5) . . ?
C31 C30 H30A 119.4 . . ?
C29 C30 H30A 119.4 . . ?
C30 C31 C32 120.8(5) . . ?
C30 C31 H31A 119.6 . . ?
C32 C31 H31A 119.6 . . ?
C19 C32 C31 122.8(5) . . ?
C19 C32 C27 118.9(5) . . ?
C31 C32 C27 118.3(5) . . ?
N1AA C1AA C2AA 174.9(9) . . ?
C1AA C2AA H2A1 109.5 . . ?
C1AA C2AA H2A2 109.5 . . ?
H2A1 C2AA H2A2 109.5 . . ?
C1AA C2AA H2A3 109.5 . . ?
H2A1 C2AA H2A3 109.5 . . ?
H2A2 C2AA H2A3 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Hg1 Cl2 2.3138(15) . ?
Hg1 Cl3 2.3227(14) . ?
Hg1 Cl1 2.7340(13) . ?
Hg2 Cl4 2.4524(12) . ?
Hg2 Cl4 2.4524(12) 2_655 ?
Hg2 Cl1 2.5558(13) 2_655 ?
Hg2 Cl1 2.5558(13) . ?
N1 C1 1.333(6) . ?
N1 C3 1.390(6) . ?
N1 H1N1 0.82(5) . ?
N2 C1 1.346(6) . ?
N2 C2 1.396(6) . ?
N2 C13 1.451(6) . ?
C1 C19 1.466(6) . ?
C2 C3 1.368(6) . ?
C2 C10 1.475(6) . ?
C3 C4 1.467(6) . ?
C4 C5 1.391(7) . ?
C4 C9 1.404(7) . ?
C5 C6 1.386(8) . ?
C5 H5A 0.9500 . ?
C6 C7 1.398(9) . ?
C6 H6A 0.9500 . ?
C7 C8 1.382(9) . ?
C7 H7A 0.9500 . ?
C8 C9 1.377(7) . ?
C8 H8A 0.9500 . ?
C9 H9A 0.9500 . ?
C10 C11 1.400(6) . ?
C10 C12 1.400(6) 5_666 ?
C11 C12 1.387(6) . ?
C11 H11A 0.9500 . ?
C12 H12A 0.9500 . ?
C13 C18 1.384(7) . ?
C13 C14 1.393(7) . ?
C14 C15 1.395(8) . ?
C14 H14A 0.9500 . ?
C15 C16 1.389(10) . ?
C15 H15A 0.9500 . ?
C16 C17 1.375(10) . ?
C16 H16A 0.9500 . ?
C17 C18 1.385(7) . ?
C17 H17A 0.9500 . ?
C18 H18A 0.9500 . ?
C19 C20 1.410(7) . ?
C19 C32 1.413(7) . ?
C20 C25 1.431(7) . ?
C20 C21 1.431(7) . ?
C21 C22 1.352(8) . ?
C21 H21A 0.9500 . ?
C22 C23 1.423(8) . ?
C22 H22A 0.9500 . ?
C23 C24 1.347(8) . ?
C23 H23A 0.9500 . ?
C24 C25 1.437(7) . ?
C24 H24A 0.9500 . ?
C25 C26 1.396(7) . ?
C26 C27 1.395(8) . ?
C26 H26A 0.9500 . ?
C27 C28 1.424(8) . ?
C27 C32 1.439(7) . ?
C28 C29 1.367(9) . ?
C28 H28A 0.9500 . ?
C29 C30 1.417(8) . ?
C29 H29A 0.9500 . ?
C30 C31 1.355(8) . ?
C30 H30A 0.9500 . ?
C31 C32 1.430(7) . ?
C31 H31A 0.9500 . ?
N1AA C1AA 1.154(9) . ?
C1AA C2AA 1.489(10) . ?
C2AA H2A1 0.9800 . ?
C2AA H2A2 0.9800 . ?
C2AA H2A3 0.9800 . ?
