#------------------------------------------------------------------------------
#$Date: 2022-02-04 21:23:51 +0200 (Fri, 04 Feb 2022) $
#$Revision: 272626 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/40/7244042.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_7244042
loop_
_publ_author_name
'Baraboshkin, Nikita M.'
'Zelenov, Victor P.'
'Minyaev, Mikhail E.'
'Pivina, Tatyana S.'
_publ_section_title
;
 Quest: structure and properties of BTF--nitrobenzene cocrystals with
 different ratios of components
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              235
_journal_page_last               250
_journal_paper_doi               10.1039/D1CE00977J
_journal_volume                  24
_journal_year                    2022
_chemical_formula_moiety         'C6 N6 O6, C6 H5 N O2'
_chemical_formula_sum            'C12 H5 N7 O8'
_chemical_formula_weight         375.23
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-07-08 deposited with the CCDC.	2021-11-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.3351(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.55650(10)
_cell_length_b                   17.6948(4)
_cell_length_c                   12.4912(3)
_cell_measurement_reflns_used    9886
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      34.69
_cell_measurement_theta_min      2.84
_cell_volume                     1415.72(5)
_computing_cell_refinement       'SAINT (Bruker, 2019)'
_computing_data_collection       'APEX3 (Bruker, 2019)'
_computing_data_reduction        'SAINT (Bruker, 2019)'
_computing_molecular_graphics
'SHELXTL (Sheldrick, Acta Cryst., 2008, A64, 112-122)'
_computing_publication_material
'SHELXTL (Sheldrick, Acta Cryst., 2008, A64, 112-122)'
_computing_structure_refinement
'SHELXL-2018 (Sheldrick, Acta Cryst., 2015, C71, 3-8)'
_computing_structure_solution
'SHELXT, SHELXS-2013 (Sheldrick, Acta Cryst., 2015, A71, 3-8)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker AXS D8 QUEST, Photon III detector'
_diffrn_measurement_method       'ω shutterless scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0352
_diffrn_reflns_av_unetI/netI     0.0228
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            42941
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         34.979
_diffrn_reflns_theta_min         2.027
_diffrn_source                   'sealed X-Ray tube'
_diffrn_source_current           30
_diffrn_source_power             50
_diffrn_source_size              '0.6 mm, fine-focus'
_exptl_absorpt_coefficient_mu    0.152
_exptl_absorpt_correction_T_max  0.8625
_exptl_absorpt_correction_T_min  0.8346
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS 2016/2 (Krause et al., J. Appl. Cryst. 2015, 48, 3-10)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.760
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             760
_exptl_crystal_size_max          0.59
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.461
_refine_diff_density_min         -0.445
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     437
_refine_ls_number_reflns         6224
_refine_ls_number_restraints     1037
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0813
_refine_ls_R_factor_gt           0.0628
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0581P)²+0.8552P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1475
_refine_ls_wR_factor_ref         0.1623
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4902
_reflns_number_total             6224
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ce00977j2.cif
_cod_data_source_block           BTF-NB
_cod_depositor_comments
'Adding full bibliography for 7244042--7244044.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7244042
_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   0.916
_shelx_estimated_absorpt_t_max   0.975
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
C1A C 0.6441(4) 0.71288(15) 0.6851(2) 0.0221(4) Uani 0.4491(12) 1 d D . P A 1
C2A C 0.7396(4) 0.69804(13) 0.59498(19) 0.0218(3) Uani 0.4491(12) 1 d D . P A 1
C3A C 0.6394(4) 0.64507(17) 0.5148(2) 0.0219(4) Uani 0.4491(12) 1 d D . P A 1
C4A C 0.4492(9) 0.6086(4) 0.5218(5) 0.0227(4) Uani 0.4491(12) 1 d D . P A 1
C5A C 0.3611(5) 0.62537(19) 0.6137(2) 0.0221(4) Uani 0.4491(12) 1 d D . P A 1
C6A C 0.4548(3) 0.67717(14) 0.69668(19) 0.0215(3) Uani 0.4491(12) 1 d D . P A 1
N1A N 0.7682(7) 0.7619(3) 0.7484(3) 0.0298(7) Uani 0.4491(12) 1 d D . P A 1
N2A N 0.9130(4) 0.73660(13) 0.6004(2) 0.0287(3) Uani 0.4491(12) 1 d D . P A 1
N3A N 0.6942(6) 0.6185(3) 0.4254(3) 0.0290(6) Uani 0.4491(12) 1 d D . P A 1
N4A N 0.3817(3) 0.56271(13) 0.43912(19) 0.0265(3) Uani 0.4491(12) 1 d D . P A 1
N5A N 0.1940(7) 0.5973(3) 0.6435(4) 0.0229(5) Uani 0.4491(12) 1 d D . P A 1
N6A N 0.3516(4) 0.68168(15) 0.77587(19) 0.0267(3) Uani 0.4491(12) 1 d D . P A 1
O1A O 0.9426(4) 0.77895(14) 0.6945(2) 0.0321(3) Uani 0.4491(12) 1 d D . P A 1
O2A O 0.7668(4) 0.79343(14) 0.83246(19) 0.0359(4) Uani 0.4491(12) 1 d D . P A 1
O3A O 0.5251(3) 0.56591(13) 0.37421(18) 0.0304(3) Uani 0.4491(12) 1 d D . P A 1
O4A O 0.8334(4) 0.62901(15) 0.3788(2) 0.0356(4) Uani 0.4491(12) 1 d D . P A 1
O5A O 0.1845(4) 0.63378(16) 0.7492(2) 0.0311(3) Uani 0.4491(12) 1 d D . P A 1
O6A O 0.0624(4) 0.55196(12) 0.60721(18) 0.0322(3) Uani 0.4491(12) 1 d D . P A 1
C1B C 0.7020(4) 0.71398(15) 0.65505(19) 0.0221(4) Uani 0.4737(11) 1 d D . P B 2
C2B C 0.5251(3) 0.69353(13) 0.69792(18) 0.0218(3) Uani 0.4737(11) 1 d D . P B 2
C3B C 0.3826(4) 0.63981(17) 0.6379(2) 0.0219(4) Uani 0.4737(11) 1 d D . P B 2
C4B C 0.4125(8) 0.6071(4) 0.5381(4) 0.0227(4) Uani 0.4737(11) 1 d D . P B 2
C5B C 0.5927(4) 0.62983(17) 0.4997(2) 0.0221(4) Uani 0.4737(11) 1 d D . P B 2
C6B C 0.7387(3) 0.68353(13) 0.55535(18) 0.0215(3) Uani 0.4737(11) 1 d D . P B 2
N1B N 0.8109(7) 0.7625(3) 0.7259(3) 0.0298(7) Uani 0.4737(11) 1 d D . P B 2
N2B N 0.5186(4) 0.72717(12) 0.79097(18) 0.0287(3) Uani 0.4737(11) 1 d D . P B 2
N3B N 0.2127(7) 0.6076(3) 0.6596(4) 0.0290(6) Uani 0.4737(11) 1 d D . P B 2
N4B N 0.2672(3) 0.55773(12) 0.49636(18) 0.0265(3) Uani 0.4737(11) 1 d D . P B 2
N5B N 0.6605(6) 0.6099(3) 0.4109(3) 0.0229(5) Uani 0.4737(11) 1 d D . P B 2
N6B N 0.8910(3) 0.69775(13) 0.50495(17) 0.0267(3) Uani 0.4737(11) 1 d D . P B 2
O1B O 0.6931(4) 0.77156(13) 0.81328(19) 0.0321(3) Uani 0.4737(11) 1 d D . P B 2
O2B O 0.9708(4) 0.79612(13) 0.7360(2) 0.0359(4) Uani 0.4737(11) 1 d D . P B 2
O3B O 0.1347(3) 0.55581(12) 0.56693(17) 0.0304(3) Uani 0.4737(11) 1 d D . P B 2
O4B O 0.1135(4) 0.61317(14) 0.7294(2) 0.0356(4) Uani 0.4737(11) 1 d D . P B 2
O5B O 0.8537(4) 0.65331(14) 0.41354(19) 0.0311(3) Uani 0.4737(11) 1 d D . P B 2
O6B O 0.6079(4) 0.56670(12) 0.33569(16) 0.0322(3) Uani 0.4737(11) 1 d D . P B 2
C1C C 0.4312(15) 0.6075(5) 0.5270(9) 0.0221(4) Uani 0.0414(12) 1 d D . P C 3
C2C C 0.3604(15) 0.6284(4) 0.6231(8) 0.0218(3) Uani 0.0414(12) 1 d D . P C 3
C3C C 0.4902(17) 0.6821(4) 0.6906(9) 0.0219(4) Uani 0.0414(12) 1 d D . P C 3
C4C C 0.6766(19) 0.7146(6) 0.6697(9) 0.0227(4) Uani 0.0414(12) 1 d D . P C 3
C5C C 0.728(2) 0.6886(7) 0.5710(9) 0.0221(4) Uani 0.0414(12) 1 d D . P C 3
C6C C 0.6139(17) 0.6354(7) 0.4959(11) 0.0215(3) Uani 0.0414(12) 1 d D . P C 3
N1C N 0.297(2) 0.5577(6) 0.4720(10) 0.0298(7) Uani 0.0414(12) 1 d D . P C 3
N2C N 0.1869(17) 0.5928(6) 0.6283(12) 0.0287(3) Uani 0.0414(12) 1 d D . P C 3
N3C N 0.466(2) 0.7122(7) 0.7845(10) 0.0290(6) Uani 0.0414(12) 1 d D . P C 3
N4C N 0.768(2) 0.7628(7) 0.7448(11) 0.0265(3) Uani 0.0414(12) 1 d D . P C 3
N5C N 0.8919(19) 0.7089(8) 0.5309(11) 0.0229(5) Uani 0.0414(12) 1 d D . P C 3
N6C N 0.701(2) 0.6227(8) 0.4121(11) 0.0267(3) Uani 0.0414(12) 1 d D . P C 3
O1C O 0.137(2) 0.5477(7) 0.5376(12) 0.0321(3) Uani 0.0414(12) 1 d D . P C 3
O2C O 0.282(3) 0.5229(8) 0.3888(11) 0.0359(4) Uani 0.0414(12) 1 d D . P C 3
O3C O 0.644(2) 0.7641(8) 0.8197(12) 0.0304(3) Uani 0.0414(12) 1 d D . P C 3
O4C O 0.343(3) 0.7074(10) 0.8425(15) 0.0356(4) Uani 0.0414(12) 1 d D . P C 3
O5C O 0.877(2) 0.6667(9) 0.4278(12) 0.0311(3) Uani 0.0414(12) 1 d D . P C 3
O6C O 1.027(2) 0.7524(9) 0.5685(15) 0.0322(3) Uani 0.0414(12) 1 d D . P C 3
C1D C 0.4179(16) 0.6037(5) 0.5236(9) 0.0221(4) Uani 0.0357(12) 1 d D . P D 4
C2D C 0.5992(15) 0.6377(4) 0.4988(9) 0.0218(3) Uani 0.0357(12) 1 d D . P D 4
C3D C 0.7296(17) 0.6912(4) 0.5662(10) 0.0219(4) Uani 0.0357(12) 1 d D . P D 4
C4D C 0.6661(18) 0.7100(6) 0.6651(12) 0.0227(4) Uani 0.0357(12) 1 d D . P D 4
C5D C 0.488(2) 0.6801(8) 0.6992(11) 0.0221(4) Uani 0.0357(12) 1 d D . P D 4
C6D C 0.371(2) 0.6272(8) 0.6247(10) 0.0215(3) Uani 0.0357(12) 1 d D . P D 4
N1D N 0.340(2) 0.5575(6) 0.4414(12) 0.0298(7) Uani 0.0357(12) 1 d D . P D 4
N2D N 0.635(2) 0.6141(8) 0.4048(11) 0.0287(3) Uani 0.0357(12) 1 d D . P D 4
N3D N 0.9010(19) 0.7309(7) 0.5652(12) 0.0290(6) Uani 0.0357(12) 1 d D . P D 4
N4D N 0.791(2) 0.7594(8) 0.7247(12) 0.0265(3) Uani 0.0357(12) 1 d D . P D 4
N5D N 0.388(3) 0.6845(10) 0.7810(11) 0.0229(5) Uani 0.0357(12) 1 d D . P D 4
N6D N 0.207(2) 0.5990(9) 0.6548(15) 0.0267(3) Uani 0.0357(12) 1 d D . P D 4
O1D O 0.480(3) 0.5637(8) 0.3637(12) 0.0321(3) Uani 0.0357(12) 1 d D . P D 4
O2D O 0.190(2) 0.5176(9) 0.4271(18) 0.0359(4) Uani 0.0357(12) 1 d D . P D 4
O3D O 0.941(2) 0.7752(8) 0.6675(13) 0.0304(3) Uani 0.0357(12) 1 d D . P D 4
O4D O 1.014(3) 0.7361(11) 0.5026(16) 0.0356(4) Uani 0.0357(12) 1 d D . P D 4
O5D O 0.208(3) 0.6328(11) 0.7533(16) 0.0311(3) Uani 0.0357(12) 1 d D . P D 4
O6D O 0.404(4) 0.7172(12) 0.8661(13) 0.0322(3) Uani 0.0357(12) 1 d D . P D 4
O7A O 0.7347(4) 0.54962(16) 0.7573(2) 0.0394(4) Uani 0.9228 1 d D . P E 1
O8A O 0.5310(3) 0.51748(14) 0.8642(2) 0.0462(5) Uani 0.9228 1 d D . P E 1
N7A N 0.6911(3) 0.51020(14) 0.82993(19) 0.0290(3) Uani 0.9228 1 d D . P E 1
C7A C 0.8424(3) 0.45208(10) 0.87855(12) 0.0219(3) Uani 0.9228 1 d D . P E 1
C8A C 0.8149(4) 0.41479(11) 0.97212(15) 0.0293(3) Uani 0.9228 1 d D . P E 1
H8A H 0.697376 0.424822 1.003063 0.035 Uiso 0.9228 1 calc R U P E 1
C9A C 0.9650(5) 0.36230(15) 1.0190(3) 0.0343(4) Uani 0.9228 1 d D . P E 1
H9A H 0.949795 0.335867 1.083059 0.041 Uiso 0.9228 1 calc R U P E 1
C10A C 1.1367(7) 0.3479(4) 0.9740(3) 0.0333(4) Uani 0.9228 1 d D . P E 1
H10A H 1.238538 0.312001 1.007246 0.040 Uiso 0.9228 1 calc R U P E 1
C11A C 1.1596(4) 0.38588(17) 0.8801(3) 0.0291(4) Uani 0.9228 1 d D . P E 1
H11A H 1.277407 0.376012 0.849262 0.035 Uiso 0.9228 1 calc R U P E 1
C12A C 1.0112(4) 0.43828(17) 0.8309(2) 0.0247(3) Uani 0.9228 1 d D . P E 1
H12A H 1.025055 0.464065 0.766177 0.030 Uiso 0.9228 1 calc R U P E 1
O7C O 0.712(6) 0.546(2) 0.774(3) 0.0394(4) Uani 0.0772 1 d D . P F 3
O8C O 0.513(5) 0.502(2) 0.876(3) 0.0462(5) Uani 0.0772 1 d D . P F 3
N7C N 0.679(4) 0.5028(19) 0.846(3) 0.0290(3) Uani 0.0772 1 d D . P F 3
C7C C 0.833(4) 0.4468(14) 0.8995(18) 0.0219(3) Uani 0.0772 1 d D . P F 3
C8C C 0.812(5) 0.4018(16) 0.987(2) 0.0293(3) Uani 0.0772 1 d D . P F 3
H8C H 0.693828 0.405267 1.019955 0.035 Uiso 0.0772 1 calc R U P F 3
C9C C 0.973(6) 0.351(3) 1.025(4) 0.0343(4) Uani 0.0772 1 d D . P F 3
H9C H 0.975955 0.321323 1.087933 0.041 Uiso 0.0772 1 calc R U P F 3
C10C C 1.130(9) 0.346(5) 0.966(4) 0.0333(4) Uani 0.0772 1 d D . P F 3
H10C H 1.246288 0.314578 0.994402 0.040 Uiso 0.0772 1 calc R U P F 3
C11C C 1.129(6) 0.385(2) 0.869(4) 0.0291(4) Uani 0.0772 1 d D . P F 3
H11C H 1.223432 0.371242 0.824413 0.035 Uiso 0.0772 1 calc R U P F 3
C12C C 0.986(5) 0.443(2) 0.838(3) 0.0247(3) Uani 0.0772 1 d D . P F 3
H12C H 0.992257 0.476491 0.780303 0.030 Uiso 0.0772 1 calc R U P F 3
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'
O O 0.0106 0.0060 '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
N1A C1A C2A 105.9(2) . . ?
N1A C1A C6A 131.6(2) . . ?
C2A C1A C6A 122.5(2) . . ?
N2A C2A C1A 112.6(2) . . ?
N2A C2A C3A 129.9(2) . . ?
C1A C2A C3A 117.5(2) . . ?
N3A C3A C4A 106.8(2) . . ?
N3A C3A C2A 131.0(2) . . ?
C4A C3A C2A 122.2(2) . . ?
N4A C4A C5A 129.5(2) . . ?
N4A C4A C3A 112.6(2) . . ?
C5A C4A C3A 117.8(2) . . ?
N5A C5A C6A 106.9(2) . . ?
N5A C5A C4A 130.6(3) . . ?
C6A C5A C4A 122.5(2) . . ?
N6A C6A C5A 112.1(2) . . ?
N6A C6A C1A 130.4(2) . . ?
C5A C6A C1A 117.5(2) . . ?
O2A N1A C1A 135.4(3) . . ?
O2A N1A O1A 117.3(3) . . ?
C1A N1A O1A 107.3(2) . . ?
C2A N2A O1A 106.9(2) . . ?
O4A N3A C3A 136.3(3) . . ?
O4A N3A O3A 117.7(3) . . ?
C3A N3A O3A 105.9(2) . . ?
C4A N4A O3A 106.3(2) . . ?
O6A N5A C5A 135.9(3) . . ?
O6A N5A O5A 117.8(2) . . ?
C5A N5A O5A 106.3(2) . . ?
C6A N6A O5A 107.0(2) . . ?
N2A O1A N1A 107.3(2) . . ?
N4A O3A N3A 108.39(19) . . ?
N6A O5A N5A 107.6(2) . . ?
N1B C1B C6B 131.4(2) . . ?
N1B C1B C2B 106.2(2) . . ?
C6B C1B C2B 122.4(2) . . ?
N2B C2B C1B 113.59(19) . . ?
N2B C2B C3B 128.6(2) . . ?
C1B C2B C3B 117.75(19) . . ?
N3B C3B C4B 106.4(2) . . ?
N3B C3B C2B 131.3(2) . . ?
C4B C3B C2B 122.2(2) . . ?
N4B C4B C3B 113.2(2) . . ?
N4B C4B C5B 129.5(2) . . ?
C3B C4B C5B 117.3(2) . . ?
N5B C5B C6B 106.0(2) . . ?
N5B C5B C4B 131.0(2) . . ?
C6B C5B C4B 123.0(2) . . ?
N6B C6B C5B 113.29(19) . . ?
N6B C6B C1B 129.4(2) . . ?
C5B C6B C1B 117.3(2) . . ?
O2B N1B C1B 137.1(3) . . ?
O2B N1B O1B 117.1(2) . . ?
C1B N1B O1B 105.8(2) . . ?
C2B N2B O1B 104.9(2) . . ?
O4B N3B C3B 136.2(3) . . ?
O4B N3B O3B 118.0(3) . . ?
C3B N3B O3B 105.7(2) . . ?
C4B N4B O3B 105.52(19) . . ?
O6B N5B C5B 136.9(3) . . ?
O6B N5B O5B 116.7(2) . . ?
C5B N5B O5B 106.3(2) . . ?
C6B N6B O5B 105.78(19) . . ?
N2B O1B N1B 109.54(19) . . ?
N4B O3B N3B 109.18(18) . . ?
N6B O5B N5B 108.57(18) . . ?
N1C C1C C6C 126.1(12) . . ?
N1C C1C C2C 108.1(7) . . ?
C6C C1C C2C 125.8(11) . . ?
N2C C2C C1C 111.0(7) . . ?
N2C C2C C3C 134.7(12) . . ?
C1C C2C C3C 114.3(10) . . ?
N3C C3C C4C 105.7(7) . . ?
N3C C3C C2C 128.3(12) . . ?
C4C C3C C2C 126.0(11) . . ?
N4C C4C C5C 132.2(13) . . ?
N4C C4C C3C 114.2(8) . . ?
C5C C4C C3C 113.6(11) . . ?
N5C C5C C4C 126.8(13) . . ?
N5C C5C C6C 106.6(7) . . ?
C4C C5C C6C 126.6(12) . . ?
N6C C6C C5C 112.3(8) . . ?
N6C C6C C1C 133.9(13) . . ?
C5C C6C C1C 113.8(11) . . ?
O2C N1C C1C 135.9(13) . . ?
O2C N1C O1C 118.9(11) . . ?
C1C N1C O1C 105.3(8) . . ?
C2C N2C O1C 107.2(9) . . ?
O4C N3C C3C 137.0(13) . . ?
O4C N3C O3C 117.1(11) . . ?
C3C N3C O3C 105.9(8) . . ?
C4C N4C O3C 104.6(9) . . ?
O6C N5C C5C 128.3(13) . . ?
O6C N5C O5C 125.3(11) . . ?
C5C N5C O5C 106.4(8) . . ?
C6C N6C O5C 106.6(9) . . ?
N2C O1C N1C 108.4(9) . . ?
N4C O3C N3C 109.6(9) . . ?
N6C O5C N5C 108.2(9) . . ?
N1D C1D C6D 138.3(13) . . ?
N1D C1D C2D 107.1(7) . . ?
C6D C1D C2D 114.7(12) . . ?
N2D C2D C3D 122.7(12) . . ?
N2D C2D C1D 112.2(8) . . ?
C3D C2D C1D 125.2(11) . . ?
N3D C3D C2D 138.5(13) . . ?
N3D C3D C4D 106.8(7) . . ?
C2D C3D C4D 114.7(12) . . ?
N4D C4D C3D 112.7(8) . . ?
N4D C4D C5D 121.7(14) . . ?
C3D C4D C5D 125.6(13) . . ?
N5D C5D C6D 104.8(8) . . ?
N5D C5D C4D 141.0(15) . . ?
C6D C5D C4D 114.2(13) . . ?
N6D C6D C1D 119.3(14) . . ?
N6D C6D C5D 115.1(8) . . ?
C1D C6D C5D 125.7(13) . . ?
O2D N1D C1D 130.6(14) . . ?
O2D N1D O1D 123.6(12) . . ?
C1D N1D O1D 105.8(9) . . ?
C2D N2D O1D 106.3(9) . . ?
O4D N3D C3D 134.0(14) . . ?
O4D N3D O3D 120.4(12) . . ?
C3D N3D O3D 105.6(8) . . ?
C4D N4D O3D 105.7(9) . . ?
O6D N5D C5D 138.5(14) . . ?
O6D N5D O5D 114.9(11) . . ?
C5D N5D O5D 106.6(9) . . ?
C6D N6D O5D 104.2(10) . . ?
N2D O1D N1D 108.6(9) . . ?
N4D O3D N3D 109.1(9) . . ?
N6D O5D N5D 109.3(10) . . ?
O8A N7A O7A 123.56(16) . . ?
O8A N7A C7A 118.97(16) . . ?
O7A N7A C7A 117.47(17) . . ?
C12A C7A C8A 122.51(19) . . ?
C12A C7A N7A 118.51(15) . . ?
C8A C7A N7A 118.95(15) . . ?
C7A C8A C9A 117.8(2) . . ?
C7A C8A H8A 121.1 . . ?
C9A C8A H8A 121.1 . . ?
C10A C9A C8A 121.1(4) . . ?
C10A C9A H9A 119.5 . . ?
C8A C9A H9A 119.5 . . ?
C9A C10A C11A 119.9(5) . . ?
C9A C10A H10A 120.1 . . ?
C11A C10A H10A 120.1 . . ?
C10A C11A C12A 120.4(4) . . ?
C10A C11A H11A 119.8 . . ?
C12A C11A H11A 119.8 . . ?
C7A C12A C11A 118.5(3) . . ?
C7A C12A H12A 120.8 . . ?
C11A C12A H12A 120.8 . . ?
O8C N7C O7C 122.5(17) . . ?
O8C N7C C7C 115(3) . . ?
O7C N7C C7C 123(2) . . ?
C8C C7C C12C 128(3) . . ?
C8C C7C N7C 125(2) . . ?
C12C C7C N7C 107(2) . . ?
C7C C8C C9C 116(3) . . ?
C7C C8C H8C 122.0 . . ?
C9C C8C H8C 122.0 . . ?
C8C C9C C10C 118(5) . . ?
C8C C9C H9C 121.2 . . ?
C10C C9C H9C 121.2 . . ?
C9C C10C C11C 124(6) . . ?
C9C C10C H10C 118.0 . . ?
C11C C10C H10C 118.0 . . ?
C12C C11C C10C 119(5) . . ?
C12C C11C H11C 120.6 . . ?
C10C C11C H11C 120.6 . . ?
C7C C12C C11C 114(3) . . ?
C7C C12C H12C 122.8 . . ?
C11C C12C H12C 122.8 . . ?
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
C1A N1A 1.329(2) . ?
C1A C2A 1.4240(19) . ?
C1A C6A 1.4277(19) . ?
C2A N2A 1.315(2) . ?
C2A C3A 1.4258(19) . ?
C3A N3A 1.330(2) . ?
C3A C4A 1.423(2) . ?
C4A N4A 1.314(2) . ?
C4A C5A 1.423(2) . ?
C5A N5A 1.327(2) . ?
C5A C6A 1.4210(19) . ?
C6A N6A 1.315(2) . ?
N1A O2A 1.191(3) . ?
N1A O1A 1.477(3) . ?
N2A O1A 1.372(3) . ?
N3A O4A 1.197(3) . ?
N3A O3A 1.483(3) . ?
N4A O3A 1.368(2) . ?
N5A O6A 1.194(3) . ?
N5A O5A 1.483(3) . ?
N6A O5A 1.369(3) . ?
C1B N1B 1.326(2) . ?
C1B C6B 1.4237(19) . ?
C1B C2B 1.4239(19) . ?
C2B N2B 1.315(2) . ?
C2B C3B 1.4285(19) . ?
C3B N3B 1.330(2) . ?
C3B C4B 1.4248(19) . ?
C4B N4B 1.315(2) . ?
C4B C5B 1.4248(19) . ?
C5B N5B 1.328(2) . ?
C5B C6B 1.4204(19) . ?
C6B N6B 1.314(2) . ?
N1B O2B 1.188(3) . ?
N1B O1B 1.475(3) . ?
N2B O1B 1.366(2) . ?
N3B O4B 1.198(3) . ?
N3B O3B 1.479(3) . ?
N4B O3B 1.364(2) . ?
N5B O6B 1.202(3) . ?
N5B O5B 1.476(3) . ?
N6B O5B 1.365(2) . ?
C1C N1C 1.328(3) . ?
C1C C6C 1.424(2) . ?
C1C C2C 1.424(2) . ?
C2C N2C 1.315(3) . ?
C2C C3C 1.425(2) . ?
C3C N3C 1.329(3) . ?
C3C C4C 1.425(2) . ?
C4C N4C 1.314(3) . ?
C4C C5C 1.423(2) . ?
C5C N5C 1.327(3) . ?
C5C C6C 1.424(2) . ?
C6C N6C 1.314(3) . ?
N1C O2C 1.193(4) . ?
N1C O1C 1.476(4) . ?
N2C O1C 1.368(3) . ?
N3C O4C 1.196(4) . ?
N3C O3C 1.477(4) . ?
N4C O3C 1.366(3) . ?
N5C O6C 1.191(4) . ?
N5C O5C 1.474(4) . ?
N6C O5C 1.367(3) . ?
C1D N1D 1.327(3) . ?
C1D C6D 1.423(2) . ?
C1D C2D 1.424(2) . ?
C2D N2D 1.314(3) . ?
C2D C3D 1.424(2) . ?
C3D N3D 1.327(3) . ?
C3D C4D 1.424(2) . ?
C4D N4D 1.314(3) . ?
C4D C5D 1.425(2) . ?
C5D N5D 1.329(3) . ?
C5D C6D 1.424(2) . ?
C6D N6D 1.314(3) . ?
N1D O2D 1.191(4) . ?
N1D O1D 1.475(4) . ?
N2D O1D 1.368(3) . ?
N3D O4D 1.193(4) . ?
N3D O3D 1.475(4) . ?
N4D O3D 1.367(3) . ?
N5D O6D 1.195(4) . ?
N5D O5D 1.478(4) . ?
N6D O5D 1.367(3) . ?
O7A N7A 1.2253(17) . ?
O8A N7A 1.2219(18) . ?
N7A C7A 1.4676(17) . ?
C7A C12A 1.3850(14) . ?
C7A C8A 1.3870(14) . ?
C8A C9A 1.3886(16) . ?
C8A H8A 0.9500 . ?
C9A C10A 1.3857(18) . ?
C9A H9A 0.9500 . ?
C10A C11A 1.3875(16) . ?
C10A H10A 0.9500 . ?
C11A C12A 1.3885(15) . ?
C11A H11A 0.9500 . ?
C12A H12A 0.9500 . ?
O7C N7C 1.225(3) . ?
O8C N7C 1.222(3) . ?
N7C C7C 1.468(3) . ?
C7C C8C 1.386(2) . ?
C7C C12C 1.386(2) . ?
C8C C9C 1.387(2) . ?
C8C H8C 0.9500 . ?
C9C C10C 1.387(2) . ?
C9C H9C 0.9500 . ?
C10C C11C 1.387(2) . ?
C10C H10C 0.9500 . ?
C11C C12C 1.387(2) . ?
C11C H11C 0.9500 . ?
C12C H12C 0.9500 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1A C1A C2A N2A -0.9(4) . . . . ?
C6A C1A C2A N2A -179.7(3) . . . . ?
N1A C1A C2A C3A 178.6(4) . . . . ?
C6A C1A C2A C3A -0.2(4) . . . . ?
N2A C2A C3A N3A 1.9(7) . . . . ?
C1A C2A C3A N3A -177.5(5) . . . . ?
N2A C2A C3A C4A -179.6(6) . . . . ?
C1A C2A C3A C4A 1.0(7) . . . . ?
N3A C3A C4A N4A -2.0(9) . . . . ?
C2A C3A C4A N4A 179.2(5) . . . . ?
N3A C3A C4A C5A 177.6(7) . . . . ?
C2A C3A C4A C5A -1.1(10) . . . . ?
N4A C4A C5A N5A 3.4(14) . . . . ?
C3A C4A C5A N5A -176.2(6) . . . . ?
N4A C4A C5A C6A -179.8(7) . . . . ?
C3A C4A C5A C6A 0.6(10) . . . . ?
N5A C5A C6A N6A 0.1(5) . . . . ?
C4A C5A C6A N6A -177.4(6) . . . . ?
N5A C5A C6A C1A 177.6(4) . . . . ?
C4A C5A C6A C1A 0.1(7) . . . . ?
N1A C1A C6A N6A -1.8(7) . . . . ?
C2A C1A C6A N6A 176.7(3) . . . . ?
N1A C1A C6A C5A -178.8(5) . . . . ?
C2A C1A C6A C5A -0.3(4) . . . . ?
C2A C1A N1A O2A -179.9(7) . . . . ?
C6A C1A N1A O2A -1.3(12) . . . . ?
C2A C1A N1A O1A 1.2(5) . . . . ?
C6A C1A N1A O1A 179.9(3) . . . . ?
C1A C2A N2A O1A 0.2(3) . . . . ?
C3A C2A N2A O1A -179.2(3) . . . . ?
C4A C3A N3A O4A 178.7(8) . . . . ?
C2A C3A N3A O4A -2.7(11) . . . . ?
C4A C3A N3A O3A 2.3(7) . . . . ?
C2A C3A N3A O3A -179.1(3) . . . . ?
C5A C4A N4A O3A -178.9(8) . . . . ?
C3A C4A N4A O3A 0.8(8) . . . . ?
C6A C5A N5A O6A -178.5(7) . . . . ?
C4A C5A N5A O6A -1.3(13) . . . . ?
C6A C5A N5A O5A 0.2(6) . . . . ?
C4A C5A N5A O5A 177.4(7) . . . . ?
C5A C6A N6A O5A -0.4(3) . . . . ?
C1A C6A N6A O5A -177.5(3) . . . . ?
C2A N2A O1A N1A 0.6(4) . . . . ?
O2A N1A O1A N2A 179.8(5) . . . . ?
C1A N1A O1A N2A -1.1(6) . . . . ?
C4A N4A O3A N3A 0.7(6) . . . . ?
O4A N3A O3A N4A -179.1(4) . . . . ?
C3A N3A O3A N4A -1.9(5) . . . . ?
C6A N6A O5A N5A 0.5(4) . . . . ?
O6A N5A O5A N6A 178.5(5) . . . . ?
C5A N5A O5A N6A -0.5(6) . . . . ?
N1B C1B C2B N2B 0.4(4) . . . . ?
C6B C1B C2B N2B 179.6(2) . . . . ?
N1B C1B C2B C3B -178.6(4) . . . . ?
C6B C1B C2B C3B 0.7(4) . . . . ?
N2B C2B C3B N3B -2.5(7) . . . . ?
C1B C2B C3B N3B 176.3(5) . . . . ?
N2B C2B C3B C4B -179.0(5) . . . . ?
C1B C2B C3B C4B -0.2(7) . . . . ?
N3B C3B C4B N4B 1.3(9) . . . . ?
C2B C3B C4B N4B 178.6(5) . . . . ?
N3B C3B C4B C5B -176.9(7) . . . . ?
C2B C3B C4B C5B 0.3(9) . . . . ?
N4B C4B C5B N5B 2.4(13) . . . . ?
C3B C4B C5B N5B -179.6(6) . . . . ?
N4B C4B C5B C6B -178.9(7) . . . . ?
C3B C4B C5B C6B -0.9(9) . . . . ?
N5B C5B C6B N6B 0.4(4) . . . . ?
C4B C5B C6B N6B -178.5(5) . . . . ?
N5B C5B C6B C1B -179.7(3) . . . . ?
C4B C5B C6B C1B 1.4(6) . . . . ?
N1B C1B C6B N6B -2.3(6) . . . . ?
C2B C1B C6B N6B 178.7(3) . . . . ?
N1B C1B C6B C5B 177.8(5) . . . . ?
C2B C1B C6B C5B -1.2(4) . . . . ?
C6B C1B N1B O2B -1.9(11) . . . . ?
C2B C1B N1B O2B 177.2(7) . . . . ?
C6B C1B N1B O1B -179.7(3) . . . . ?
C2B C1B N1B O1B -0.5(5) . . . . ?
C1B C2B N2B O1B 0.0(3) . . . . ?
C3B C2B N2B O1B 178.8(3) . . . . ?
C4B C3B N3B O4B -178.7(8) . . . . ?
C2B C3B N3B O4B 4.4(12) . . . . ?
C4B C3B N3B O3B -2.0(7) . . . . ?
C2B C3B N3B O3B -178.9(3) . . . . ?
C3B C4B N4B O3B 0.1(8) . . . . ?
C5B C4B N4B O3B 178.1(8) . . . . ?
C6B C5B N5B O6B 178.0(6) . . . . ?
C4B C5B N5B O6B -3.2(11) . . . . ?
C6B C5B N5B O5B -0.1(5) . . . . ?
C4B C5B N5B O5B 178.7(6) . . . . ?
C5B C6B N6B O5B -0.5(3) . . . . ?
C1B C6B N6B O5B 179.5(3) . . . . ?
C2B N2B O1B N1B -0.3(4) . . . . ?
O2B N1B O1B N2B -177.8(4) . . . . ?
C1B N1B O1B N2B 0.5(5) . . . . ?
C4B N4B O3B N3B -1.4(6) . . . . ?
O4B N3B O3B N4B 179.6(5) . . . . ?
C3B N3B O3B N4B 2.2(5) . . . . ?
C6B N6B O5B N5B 0.5(4) . . . . ?
O6B N5B O5B N6B -178.8(4) . . . . ?
C5B N5B O5B N6B -0.2(5) . . . . ?
N1C C1C C2C N2C 0.01(15) . . . . ?
C6C C1C C2C N2C -179.99(15) . . . . ?
N1C C1C C2C C3C 180.00(10) . . . . ?
C6C C1C C2C C3C 0.00(11) . . . . ?
N2C C2C C3C N3C -0.02(18) . . . . ?
C1C C2C C3C N3C 179.98(12) . . . . ?
N2C C2C C3C C4C -179.99(18) . . . . ?
C1C C2C C3C C4C 0.01(11) . . . . ?
N3C C3C C4C N4C 0.0(2) . . . . ?
C2C C3C C4C N4C -179.99(14) . . . . ?
N3C C3C C4C C5C 180.00(18) . . . . ?
C2C C3C C4C C5C 0.0(2) . . . . ?
N4C C4C C5C N5C 0.0(4) . . . . ?
C3C C4C C5C N5C -180.0(2) . . . . ?
N4C C4C C5C C6C 180.0(2) . . . . ?
C3C C4C C5C C6C 0.0(3) . . . . ?
N5C C5C C6C N6C 0.0(3) . . . . ?
C4C C5C C6C N6C 180.0(2) . . . . ?
N5C C5C C6C C1C 180.00(17) . . . . ?
C4C C5C C6C C1C 0.0(3) . . . . ?
N1C C1C C6C N6C 0.0(3) . . . . ?
C2C C1C C6C N6C 180.0(2) . . . . ?
N1C C1C C6C C5C 179.99(17) . . . . ?
C2C C1C C6C C5C 0.0(2) . . . . ?
C6C C1C N1C O2C 0.0(4) . . . . ?
C2C C1C N1C O2C -180.0(3) . . . . ?
C6C C1C N1C O1C -179.99(15) . . . . ?
C2C C1C N1C O1C 0.01(17) . . . . ?
C1C C2C N2C O1C -0.02(19) . . . . ?
C3C C2C N2C O1C 179.99(10) . . . . ?
C4C C3C N3C O4C -179.9(3) . . . . ?
C2C C3C N3C O4C 0.1(4) . . . . ?
C4C C3C N3C O3C -0.01(19) . . . . ?
C2C C3C N3C O3C -179.98(10) . . . . ?
C5C C4C N4C O3C 180.0(2) . . . . ?
C3C C4C N4C O3C 0.0(3) . . . . ?
C4C C5C N5C O6C 0.0(4) . . . . ?
C6C C5C N5C O6C -180.0(3) . . . . ?
C4C C5C N5C O5C -180.0(2) . . . . ?
C6C C5C N5C O5C 0.0(2) . . . . ?
C5C C6C N6C O5C 0.0(3) . . . . ?
C1C C6C N6C O5C 180.0(2) . . . . ?
C2C N2C O1C N1C 0.0(2) . . . . ?
O2C N1C O1C N2C 180.0(2) . . . . ?
C1C N1C O1C N2C 0.0(2) . . . . ?
C4C N4C O3C N3C 0.0(3) . . . . ?
O4C N3C O3C N4C 179.9(2) . . . . ?
C3C N3C O3C N4C 0.0(2) . . . . ?
C6C N6C O5C N5C 0.0(3) . . . . ?
O6C N5C O5C N6C 180.0(2) . . . . ?
C5C N5C O5C N6C 0.0(3) . . . . ?
N1D C1D C2D N2D 0.01(16) . . . . ?
C6D C1D C2D N2D -179.98(16) . . . . ?
N1D C1D C2D C3D 180.00(11) . . . . ?
C6D C1D C2D C3D 0.00(11) . . . . ?
N2D C2D C3D N3D 0.0(2) . . . . ?
C1D C2D C3D N3D 180.00(16) . . . . ?
N2D C2D C3D C4D 179.97(17) . . . . ?
C1D C2D C3D C4D -0.01(11) . . . . ?
N3D C3D C4D N4D 0.0(3) . . . . ?
C2D C3D C4D N4D 179.99(16) . . . . ?
N3D C3D C4D C5D -180.0(2) . . . . ?
C2D C3D C4D C5D 0.0(3) . . . . ?
N4D C4D C5D N5D 0.0(5) . . . . ?
C3D C4D C5D N5D 180.0(3) . . . . ?
N4D C4D C5D C6D -180.0(2) . . . . ?
C3D C4D C5D C6D 0.0(3) . . . . ?
N1D C1D C6D N6D 0.0(4) . . . . ?
C2D C1D C6D N6D 180.00(18) . . . . ?
N1D C1D C6D C5D 180.0(2) . . . . ?
C2D C1D C6D C5D 0.0(3) . . . . ?
N5D C5D C6D N6D 0.0(3) . . . . ?
C4D C5D C6D N6D -180.0(2) . . . . ?
N5D C5D C6D C1D 180.0(2) . . . . ?
C4D C5D C6D C1D 0.0(4) . . . . ?
C6D C1D N1D O2D 0.0(4) . . . . ?
C2D C1D N1D O2D 180.0(3) . . . . ?
C6D C1D N1D O1D 180.00(18) . . . . ?
C2D C1D N1D O1D 0.01(19) . . . . ?
C3D C2D N2D O1D 179.98(13) . . . . ?
C1D C2D N2D O1D 0.0(2) . . . . ?
C2D C3D N3D O4D 0.0(4) . . . . ?
C4D C3D N3D O4D 180.0(3) . . . . ?
C2D C3D N3D O3D 179.99(10) . . . . ?
C4D C3D N3D O3D 0.0(2) . . . . ?
C3D C4D N4D O3D 0.0(3) . . . . ?
C5D C4D N4D O3D 180.0(2) . . . . ?
C6D C5D N5D O6D 180.0(3) . . . . ?
C4D C5D N5D O6D -0.1(6) . . . . ?
C6D C5D N5D O5D 0.0(3) . . . . ?
C4D C5D N5D O5D 180.0(3) . . . . ?
C1D C6D N6D O5D 180.0(2) . . . . ?
C5D C6D N6D O5D 0.0(3) . . . . ?
C2D N2D O1D N1D 0.0(3) . . . . ?
O2D N1D O1D N2D 180.0(3) . . . . ?
C1D N1D O1D N2D 0.0(3) . . . . ?
C4D N4D O3D N3D 0.0(3) . . . . ?
O4D N3D O3D N4D -180.0(3) . . . . ?
C3D N3D O3D N4D 0.0(3) . . . . ?
C6D N6D O5D N5D 0.0(3) . . . . ?
O6D N5D O5D N6D -180.0(2) . . . . ?
C5D N5D O5D N6D 0.0(3) . . . . ?
O8A N7A C7A C12A 172.6(3) . . . . ?
O7A N7A C7A C12A -8.2(4) . . . . ?
O8A N7A C7A C8A -9.4(4) . . . . ?
O7A N7A C7A C8A 169.8(3) . . . . ?
C12A C7A C8A C9A 0.5(4) . . . . ?
N7A C7A C8A C9A -177.4(3) . . . . ?
C7A C8A C9A C10A 0.2(6) . . . . ?
C8A C9A C10A C11A -0.4(8) . . . . ?
C9A C10A C11A C12A -0.1(8) . . . . ?
C8A C7A C12A C11A -1.0(4) . . . . ?
N7A C7A C12A C11A 176.9(3) . . . . ?
C10A C11A C12A C7A 0.7(6) . . . . ?
O8C N7C C7C C8C -8(6) . . . . ?
O7C N7C C7C C8C 174(4) . . . . ?
O8C N7C C7C C12C 165(4) . . . . ?
O7C N7C C7C C12C -13(6) . . . . ?
C12C C7C C8C C9C 7(6) . . . . ?
N7C C7C C8C C9C 179(4) . . . . ?
C7C C8C C9C C10C -5(7) . . . . ?
C8C C9C C10C C11C -5(11) . . . . ?
C9C C10C C11C C12C 13(11) . . . . ?
C8C C7C C12C C11C 2(6) . . . . ?
N7C C7C C12C C11C -171(4) . . . . ?
C10C C11C C12C C7C -11(7) . . . . ?
