#------------------------------------------------------------------------------ #$Date: 2026-06-05 20:27:33 +0100 (Fri, 05 Jun 2026) $ #$Revision: 306464 $ #$URL: svn://www.crystallography.net/cod/cif/7/06/43/7064345.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_7064345 loop_ _publ_author_name 'Rayasingh, Amlan Ranjan' 'Manivannan, Vadivelu' _publ_section_title ; Synthesis, structure, and catalytic- and bio-activity of some metal complexes and a coordination polymer featuring imidazo[1,5-a]pyridine and chromen[4,3-b]pyrrole-4-one ; _journal_issue 16 _journal_name_full 'New Journal of Chemistry' _journal_page_first 6746 _journal_page_last 6760 _journal_paper_doi 10.1039/D6NJ00431H _journal_volume 50 _journal_year 2026 _chemical_formula_moiety 'C18 H12 Br N3' _chemical_formula_sum 'C18 H12 Br N3' _chemical_formula_weight 350.22 _chemical_name_systematic 107_2 _space_group_crystal_system orthorhombic _space_group_IT_number 19 _space_group_name_Hall 'P 2ac 2ab' _space_group_name_H-M_alt 'P 21 21 21' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _audit_creation_date 2024-11-18 _audit_creation_method ; Olex2 1.5 (compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439) ; _audit_update_record ; 2025-05-22 deposited with the CCDC. 2026-03-24 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 9.8198(19) _cell_length_b 11.4573(15) _cell_length_c 13.2236(17) _cell_measurement_reflns_used 1474 _cell_measurement_temperature 293 _cell_measurement_theta_max 24.7690 _cell_measurement_theta_min 2.7200 _cell_volume 1487.8(4) _computing_cell_refinement ; CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011) ; _computing_data_collection ; CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011) ; _computing_data_reduction ; CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011) ; _computing_molecular_graphics 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_structure_refinement 'XL (Sheldrick, 2008)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _diffrn_ambient_temperature 293 _diffrn_detector CCD _diffrn_detector_area_resol_mean 28.5714 _diffrn_detector_type 'Rigaku Saturn724+' _diffrn_measured_fraction_theta_full 0.997 _diffrn_measured_fraction_theta_max 0.880 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames #-------------------------------------------------------------------------- 1 \w 69.00 96.00 1.00 12.44 -- 20.92-178.00 0.00 27 2 \w 5.00 46.00 1.00 12.44 -- 20.92 57.00 90.00 41 3 \w 11.00 89.00 1.00 12.44 -- 20.92 77.00-180.00 78 ; _diffrn_measurement_device 'AFC12 (Right): Kappa 3 circle' _diffrn_measurement_device_type 'Rigaku Saturn724+ (2x2 bin mode)' _diffrn_measurement_method 'profile data from \w-scans' _diffrn_measurement_specimen_support 'Mitegen 50um' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 0.0389897000 _diffrn_orient_matrix_UB_12 -0.0008264000 _diffrn_orient_matrix_UB_13 -0.0452164000 _diffrn_orient_matrix_UB_21 0.0576011000 _diffrn_orient_matrix_UB_22 0.0210979000 _diffrn_orient_matrix_UB_23 0.0268010000 _diffrn_orient_matrix_UB_31 0.0202906000 _diffrn_orient_matrix_UB_32 -0.0581580000 _diffrn_orient_matrix_UB_33 0.0099933000 _diffrn_radiation_collimation 0.3 _diffrn_radiation_monochromator Confocal _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0731 _diffrn_reflns_av_unetI/netI 0.1209 _diffrn_reflns_Laue_measured_fraction_full 0.997 _diffrn_reflns_Laue_measured_fraction_max 0.880 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_l_max 11 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_number 4246 _diffrn_reflns_point_group_measured_fraction_full 0.935 _diffrn_reflns_point_group_measured_fraction_max 0.790 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 28.693 _diffrn_reflns_theta_min 2.732 _diffrn_source 'Rotating Anode' _diffrn_source_current 24.0 _diffrn_source_power 1.2 _diffrn_source_target Mo _diffrn_source_type 'Rotating Anode' _diffrn_source_voltage 50.0 _exptl_absorpt_coefficient_mu 2.762 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.32611 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.40.23a (Rigaku Oxford Diffraction, 2018) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour 'clear greenish yellow' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_modifier greenish _exptl_crystal_colour_primary yellow _exptl_crystal_density_diffrn 1.564 _exptl_crystal_description block _exptl_crystal_F_000 704 _exptl_crystal_preparation 'slow evaporation' _exptl_crystal_recrystallization_method none _exptl_crystal_size_max 0.4 _exptl_crystal_size_mid 0.2 _exptl_crystal_size_min 0.2 _refine_diff_density_max 0.871 _refine_diff_density_min -0.983 _refine_diff_density_rms 0.122 _refine_ls_abs_structure_details ; Flack x determined using 512 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack -0.03(2) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.007 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 199 _refine_ls_number_reflns 3041 _refine_ls_number_restraints 327 _refine_ls_restrained_S_all 0.962 _refine_ls_R_factor_all 0.1108 _refine_ls_R_factor_gt 0.0711 _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/[\s^2^(Fo^2^)+(0.0790P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1575 _refine_ls_wR_factor_ref 0.1793 _reflns_Friedel_coverage 0.575 _reflns_Friedel_fraction_full 0.849 _reflns_Friedel_fraction_max 0.672 _reflns_number_gt 1949 _reflns_number_total 3041 _reflns_threshold_expression 'I > 2\s(I)' _iucr_refine_instructions_details ; TITL ar107_2_a.res in P2(1)2(1)2(1) ar107_2.res created by SHELXL-2019/1 at 08:53:45 on 18-Nov-2024 REM Old TITL ar107_2_a.res in P2(1)2(1)2(1) REM SHELXT solution in P2(1)2(1)2(1): R1 0.147, Rweak 0.051, Alpha 0.003 REM 0.449 for 18 systematic absences, Orientation as input REM Flack x = 0.017 ( 0.029 ) from 595 Parsons' quotients REM Formula found by SHELXT: C19 Br N2 CELL 0.71073 9.8198 11.4573 13.2236 90 90 90 ZERR 4 0.0019 0.0015 0.0017 0 0 0 LATT -1 SYMM 0.5-X,-Y,0.5+Z SYMM -X,0.5+Y,0.5-Z SYMM 0.5+X,0.5-Y,-Z SFAC C H Br N UNIT 72 48 4 12 RIGU SIMU L.S. 5 PLAN 2 CONF BOND list 4 MORE -1 BOND $H fmap 2 acta OMIT 0 1 1 OMIT 0 7 5 OMIT 1 0 1 REM REM REM WGHT 0.079000 FVAR 0.58379 BR1 3 0.471097 0.908196 0.395619 11.00000 0.06195 0.04959 = 0.05672 0.01007 0.02105 -0.00010 N1 4 0.485637 0.339696 0.377168 11.00000 0.03919 0.03090 = 0.05144 -0.00559 0.00140 0.00379 N2 4 0.429223 0.605235 0.528561 11.00000 0.02981 0.02372 = 0.02867 0.00607 -0.00019 0.00011 N3 4 0.275191 0.662575 0.417084 11.00000 0.02961 0.02749 = 0.02560 -0.00371 -0.00078 0.00106 C1 1 0.581568 0.385328 0.538909 11.00000 0.03052 0.03962 = 0.03865 0.00662 0.00458 0.00345 AFIX 43 H1 2 0.587536 0.436594 0.593256 11.00000 -1.20000 AFIX 0 C2 1 0.655981 0.284458 0.539558 11.00000 0.03644 0.05037 = 0.05939 0.00416 0.00487 0.01204 AFIX 43 H2 2 0.712719 0.265987 0.593547 11.00000 -1.20000 AFIX 0 C3 1 0.643799 0.209938 0.456126 11.00000 0.04464 0.03728 = 0.06614 0.00276 0.01128 0.00982 AFIX 43 H3 2 0.691935 0.140116 0.453185 11.00000 -1.20000 AFIX 0 C4 1 0.558956 0.242781 0.378927 11.00000 0.04991 0.02772 = 0.06569 -0.00713 0.00636 0.00820 AFIX 43 H4 2 0.552387 0.193144 0.323495 11.00000 -1.20000 AFIX 0 C5 1 0.498058 0.411660 0.458718 11.00000 0.02301 0.02443 = 0.03852 0.00415 0.00776 -0.00098 C6 1 0.416926 0.519899 0.455806 11.00000 0.02627 0.02688 = 0.03041 0.00409 0.00306 -0.00130 C7 1 0.320047 0.552937 0.384928 11.00000 0.02575 0.02593 = 0.02725 -0.00192 0.00455 -0.00190 C8 1 0.260393 0.506416 0.296444 11.00000 0.03571 0.04707 = 0.03571 -0.01108 -0.00247 -0.00205 AFIX 43 H8 2 0.288485 0.433962 0.272568 11.00000 -1.20000 AFIX 0 C9 1 0.163873 0.565555 0.246638 11.00000 0.04037 0.05484 = 0.03542 -0.01159 -0.00867 -0.00007 AFIX 43 H9 2 0.124764 0.533548 0.188900 11.00000 -1.20000 AFIX 0 C10 1 0.120376 0.677956 0.281734 11.00000 0.03147 0.05153 = 0.03952 -0.00265 -0.00639 0.00447 AFIX 43 H10 2 0.054207 0.719354 0.246447 11.00000 -1.20000 AFIX 0 C11 1 0.175775 0.722886 0.365738 11.00000 0.02521 0.03807 = 0.03292 0.00166 -0.00030 0.00310 AFIX 43 H11 2 0.146875 0.795184 0.389438 11.00000 -1.20000 AFIX 0 C12 1 0.346786 0.688546 0.503771 11.00000 0.03375 0.02614 = 0.02585 -0.00099 -0.00374 -0.00024 C13 1 0.326840 0.800329 0.558319 11.00000 0.03075 0.02484 = 0.02915 -0.00148 -0.00820 0.00211 C14 1 0.379302 0.904060 0.523622 11.00000 0.03039 0.02695 = 0.03812 0.00052 -0.00445 0.00458 C15 1 0.369101 1.007704 0.576850 11.00000 0.04453 0.03115 = 0.05449 -0.00464 -0.00770 0.00548 AFIX 43 H15 2 0.408523 1.075789 0.552167 11.00000 -1.20000 AFIX 0 C16 1 0.299466 1.007782 0.666935 11.00000 0.05812 0.03620 = 0.04847 -0.01155 -0.00688 0.00717 AFIX 43 H16 2 0.289266 1.077146 0.702670 11.00000 -1.20000 AFIX 0 C17 1 0.244642 0.906291 0.704854 11.00000 0.06440 0.04266 = 0.03691 -0.01377 -0.00126 0.00814 AFIX 43 H17 2 0.198505 0.907256 0.766267 11.00000 -1.20000 AFIX 0 C18 1 0.257850 0.803869 0.652383 11.00000 0.04723 0.03068 = 0.03483 -0.00549 -0.00262 -0.00315 AFIX 43 H18 2 0.220999 0.735633 0.678876 11.00000 -1.20000 AFIX 0 HKLF 4 REM ar107_2_a.res in P2(1)2(1)2(1) REM wR2 = 0.1793, GooF = S = 1.007, Restrained GooF = 0.962 for all data REM R1 = 0.0711 for 1949 Fo > 4sig(Fo) and 0.1108 for all 3041 data REM 199 parameters refined using 327 restraints END WGHT 0.0790 0.0000 REM Highest difference peak 0.871, deepest hole -0.983, 1-sigma level 0.122 Q1 1 0.5878 0.9095 0.3993 11.00000 0.05 0.87 Q2 1 0.3702 0.9073 0.3956 11.00000 0.05 0.78 REM The information below was added by Olex2. REM REM R1 = 0.0711 for 1949 Fo > 4sig(Fo) and 0.1108 for all 4272 data REM 199 parameters refined using n/a restraints REM Highest difference peak 0.87, deepest hole -0.98 REM Mean Shift 0, Max Shift 0.000. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.1108 REM R1_gt = 0.0711 REM wR_ref = 0.1793 REM GOOF = 1.007 REM Shift_max = 0.000 REM Shift_mean = 0 REM Reflections_all = 4272 REM Reflections_gt = 1949 REM Parameters = 199 REM Hole = -0.98 REM Peak = 0.87 REM Flack = -0.03(3) ; _cod_data_source_file d6nj00431h2.cif _cod_data_source_block L4 _cod_depositor_comments 'Adding full bibliography for 7064343--7064354.cif.' _cod_database_code 7064345 _shelx_shelxl_version_number 2019/1 _chemical_oxdiff_formula CHNBr _chemical_oxdiff_usercomment Mo _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. ; _diffrn_oxdiff_ac4_digest_frames ; 01dd7cb400b6c37ccd9e0601825bec21fa000279f1d ; _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups 2. Uiso/Uaniso restraints and constraints All non-hydrogen atoms have similar U: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A 3. Rigid body (RIGU) restrains All non-hydrogen atoms with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004 4.a Aromatic/amide H refined with riding coordinates: C1(H1), C2(H2), C3(H3), C4(H4), C8(H8), C9(H9), C10(H10), C11(H11), C15(H15), C16(H16), C17(H17), C18(H18) ; _olex2_submission_original_sample_id 107_2 _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _oxdiff_exptl_absorpt_empirical_full_max 2.175 _oxdiff_exptl_absorpt_empirical_full_min 0.660 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z' 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 Br1 Br 0.47110(13) 0.90820(10) 0.39562(9) 0.0561(4) Uani 1 1 d . U . . . N1 N 0.4856(9) 0.3397(6) 0.3772(6) 0.041(2) Uani 1 1 d . U . . . N2 N 0.4292(7) 0.6052(6) 0.5286(5) 0.0274(16) Uani 1 1 d . U . . . N3 N 0.2752(8) 0.6626(6) 0.4171(5) 0.0276(16) Uani 1 1 d . U . . . C1 C 0.5816(10) 0.3853(8) 0.5389(7) 0.036(2) Uani 1 1 d . U . . . H1 H 0.587536 0.436594 0.593256 0.044 Uiso 1 1 calc R U . . . C2 C 0.6560(11) 0.2845(10) 0.5396(9) 0.049(3) Uani 1 1 d . U . . . H2 H 0.712719 0.265987 0.593547 0.058 Uiso 1 1 calc R U . . . C3 C 0.6438(11) 0.2099(9) 0.4561(9) 0.049(3) Uani 1 1 d . U . . . H3 H 0.691935 0.140116 0.453185 0.059 Uiso 1 1 calc R U . . . C4 C 0.5590(11) 0.2428(8) 0.3789(9) 0.048(3) Uani 1 1 d . U . . . H4 H 0.552387 0.193144 0.323495 0.057 Uiso 1 1 calc R U . . . C5 C 0.4981(8) 0.4117(7) 0.4587(6) 0.0287(18) Uani 1 1 d . U . . . C6 C 0.4169(10) 0.5199(7) 0.4558(7) 0.0279(18) Uani 1 1 d . U . . . C7 C 0.3200(9) 0.5529(7) 0.3849(6) 0.0263(18) Uani 1 1 d . U . . . C8 C 0.2604(11) 0.5064(9) 0.2964(7) 0.039(2) Uani 1 1 d . U . . . H8 H 0.288485 0.433962 0.272568 0.047 Uiso 1 1 calc R U . . . C9 C 0.1639(10) 0.5656(9) 0.2466(7) 0.044(3) Uani 1 1 d . U . . . H9 H 0.124764 0.533548 0.188900 0.052 Uiso 1 1 calc R U . . . C10 C 0.1204(11) 0.6780(9) 0.2817(8) 0.041(2) Uani 1 1 d . U . . . H10 H 0.054207 0.719354 0.246447 0.049 Uiso 1 1 calc R U . . . C11 C 0.1758(10) 0.7229(8) 0.3657(6) 0.032(2) Uani 1 1 d . U . . . H11 H 0.146875 0.795184 0.389438 0.038 Uiso 1 1 calc R U . . . C12 C 0.3468(10) 0.6885(7) 0.5038(6) 0.029(2) Uani 1 1 d . U . . . C13 C 0.3268(10) 0.8003(8) 0.5583(7) 0.0282(19) Uani 1 1 d . U . . . C14 C 0.3793(9) 0.9041(8) 0.5236(7) 0.0318(19) Uani 1 1 d . U . . . C15 C 0.3691(11) 1.0077(9) 0.5768(8) 0.043(3) Uani 1 1 d . U . . . H15 H 0.408523 1.075789 0.552167 0.052 Uiso 1 1 calc R U . . . C16 C 0.2995(12) 1.0078(9) 0.6669(9) 0.048(3) Uani 1 1 d . U . . . H16 H 0.289266 1.077146 0.702670 0.057 Uiso 1 1 calc R U . . . C17 C 0.2446(12) 0.9063(9) 0.7049(7) 0.048(3) Uani 1 1 d . U . . . H17 H 0.198505 0.907256 0.766267 0.058 Uiso 1 1 calc R U . . . C18 C 0.2579(11) 0.8039(8) 0.6524(7) 0.038(2) Uani 1 1 d . U . . . H18 H 0.220999 0.735633 0.678876 0.045 Uiso 1 1 calc R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Br1 0.0620(8) 0.0496(6) 0.0567(7) 0.0101(6) 0.0210(6) -0.0001(6) N1 0.039(5) 0.031(3) 0.051(4) -0.006(3) 0.001(4) 0.004(3) N2 0.030(4) 0.024(3) 0.029(3) 0.006(3) 0.000(3) 0.000(3) N3 0.030(4) 0.027(3) 0.026(3) -0.004(3) -0.001(3) 0.001(3) C1 0.031(5) 0.040(5) 0.039(4) 0.007(4) 0.005(4) 0.003(4) C2 0.036(6) 0.050(5) 0.059(5) 0.004(5) 0.005(5) 0.012(4) C3 0.045(6) 0.037(5) 0.066(6) 0.003(5) 0.011(5) 0.010(4) C4 0.050(6) 0.028(4) 0.066(6) -0.007(4) 0.006(5) 0.008(4) C5 0.023(4) 0.024(3) 0.039(4) 0.004(3) 0.008(3) -0.001(3) C6 0.026(4) 0.027(4) 0.030(4) 0.004(3) 0.003(3) -0.001(3) C7 0.026(4) 0.026(4) 0.027(4) -0.002(3) 0.005(3) -0.002(3) C8 0.036(5) 0.047(5) 0.036(4) -0.011(4) -0.002(4) -0.002(4) C9 0.040(6) 0.055(6) 0.035(5) -0.012(4) -0.009(4) 0.000(4) C10 0.031(6) 0.052(6) 0.040(4) -0.003(4) -0.006(4) 0.004(4) C11 0.025(5) 0.038(5) 0.033(4) 0.002(4) 0.000(4) 0.003(4) C12 0.034(5) 0.026(4) 0.026(4) -0.001(3) -0.004(3) 0.000(3) C13 0.031(5) 0.025(4) 0.029(4) -0.001(3) -0.008(3) 0.002(3) C14 0.030(5) 0.027(4) 0.038(4) 0.001(4) -0.004(4) 0.005(4) C15 0.045(6) 0.031(4) 0.054(5) -0.005(4) -0.008(5) 0.005(4) C16 0.058(7) 0.036(5) 0.048(5) -0.012(4) -0.007(5) 0.007(5) C17 0.064(7) 0.043(5) 0.037(5) -0.014(4) -0.001(5) 0.008(5) C18 0.047(6) 0.031(4) 0.035(4) -0.005(4) -0.003(4) -0.003(4) 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' Br Br -0.2901 2.4595 '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' loop_ _diffrn_refln_index_h _diffrn_refln_index_k _diffrn_refln_index_l _diffrn_refln_intensity_net _diffrn_refln_intensity_u 0 0 -2 4887.63 48.33 0 0 -3 0.22 1.96 0 0 -4 1453.43 39.22 0 0 -5 4.81 3.98 0 0 -6 1407.45 47.06 0 0 -7 1.71 4.26 0 0 -8 312.65 25.58 0 0 -9 1.23 5.31 0 0 -10 269.4 24.89 0 0 -11 -1.46 6.66 0 0 -12 191.62 23.06 0 0 -13 0.65 7.52 0 0 -14 187.43 24.51 0 0 -15 1.33 8.37 0 0 -16 19.84 10.86 0 1 -1 -0.07 0.38 0 1 2 86.99 5.11 0 -1 -2 113.64 5.35 0 1 3 503.69 16.07 0 1 -3 440.85 19.47 0 1 -4 896.21 33.49 0 -1 -4 1051.7 27.59 0 -1 -5 281.33 16.25 0 1 -5 229.11 19.22 0 1 -6 1341.72 51.26 0 -1 -6 1363.45 39.22 0 1 -7 3.84 5.37 0 -1 -7 6.36 4.5 0 1 -8 334.32 28.91 0 -1 -8 305.64 22.02 0 1 -9 448.06 34.41 0 -1 -9 437.99 28.08 0 1 -10 31.99 11.62 0 -1 -10 35.26 9.2 0 -1 -11 150.81 19.01 0 1 -11 126.68 18.9 0 1 -12 213.28 25.44 0 -1 -12 257.38 24.99 0 -1 -13 16.78 9.05 0 1 -13 15.71 9.99 0 -1 -14 44.05 11.86 0 1 -14 31.34 12.51 0 -1 -15 -0.3 7.5 0 1 -15 0.07 9.45 0 1 -16 38.61 14.36 0 1 -17 -6.55 9.64 0 -2 0 442.78 18.42 0 -2 1 48.17 7.24 0 2 -1 39.26 6.09 0 2 -2 153.73 6.8 0 2 -2 120.58 12.32 0 2 3 2566.98 29.94 0 -2 3 2671.83 33.47 0 -2 -4 8.9 2.56 0 2 4 2.87 1.71 0 2 -4 2.12 2.73 0 -2 -5 719.83 22.54 0 2 -5 659.98 35.34 0 -2 -6 249.86 15.31 0 2 -6 316.15 26.92 0 -2 -7 1356.62 39.02 0 2 -7 1312.27 58.59 0 2 -8 35.4 11.4 0 -2 -8 30.34 7.19 0 2 -9 42.23 12.47 0 -2 -9 39.61 8.73 0 -2 -10 162.69 16.92 0 2 -10 152.18 22.83 0 -2 -11 326.95 23.72 0 2 -11 321.3 33.79 0 -2 -12 1.96 5.85 0 2 -12 -21.76 15.65 0 -2 -13 146.01 18.2 0 2 -13 112.12 20.8 0 -2 -14 127.44 16.9 0 2 -14 126.64 22.56 0 2 -15 30.52 13.34 0 2 -16 10.2 11.95 0 2 -17 10.62 12.85 0 -3 0 12.61 4.45 0 3 -1 4330.59 69.62 0 -3 1 4889.46 82.64 0 3 -2 91.89 11.54 0 3 -2 82.05 6 0 -3 2 111.01 14.32 0 3 3 105.59 5.07 0 3 -3 77.14 11 0 3 4 213.59 9.58 0 -3 4 118.89 7.56 0 -3 -4 235.31 9.55 0 3 -4 88.09 13.63 0 -3 5 1916.84 33.22 0 -3 -5 1895.08 29.85 0 3 -6 368.74 31.66 0 -3 -6 287.67 14.04 0 3 -7 35.15 13.71 0 -3 -7 34.42 6.32 0 -3 -8 72.03 9.41 0 3 -8 107.56 21.94 0 -3 -9 1224.68 38.23 0 3 -9 1361.39 66.64 0 3 -10 17.1 11.51 0 -3 -10 13.25 5.82 0 -3 -11 211.85 18.66 0 3 -11 227.8 29.57 0 -3 -12 107.37 14.34 0 3 -12 86.07 20.56 0 3 -13 256.68 32.04 0 3 -14 -14.82 15.78 0 3 -15 105.28 23.6 0 3 -16 27.18 15.63 0 3 -17 6.49 13.18 0 -4 0 717.06 35.77 0 -4 1 1523.56 52.47 0 -4 2 703.33 41.92 0 4 3 3247.8 31.42 0 4 -3 3400.62 42.37 0 4 4 38.07 3.34 0 4 5 77.37 6.05 0 4 -5 104.83 18.01 0 -4 5 97.48 7.72 0 -4 -6 406.83 15.01 0 -4 6 317.29 14.06 0 -4 7 108.29 9.37 0 -4 -7 95.87 8.45 0 -4 8 265.51 14.73 0 -4 -8 278.16 14.95 0 -4 -9 97 9.76 0 4 -9 165.85 28.15 0 4 -10 337.6 38.94 0 -4 -10 313.95 18.9 0 -4 -11 8.18 5.05 0 4 -11 -3.48 12.35 0 4 -12 -3.24 15.79 0 4 -13 -10.03 18.38 0 4 -14 58.85 16.97 0 4 -15 -18.34 17.49 0 4 -16 36.06 17.75 0 -5 0 8.6 7.05 0 -5 1 27.95 8.67 0 -5 -1 28.09 8.9 0 -5 2 7099.94 138.05 0 5 -3 119.5 9.46 0 5 -4 385.95 15.74 0 5 4 341.33 9.86 0 5 5 178.34 7.35 0 5 -5 251.96 29.64 0 5 -6 1181.78 63.42 0 5 -7 81.16 23.46 0 -5 7 27.61 4.84 0 5 -8 868.43 61.51 0 -5 8 521.81 19.98 0 -5 -9 44.41 6.21 0 5 -9 87.08 22.66 0 5 -10 3.87 12.24 0 5 -11 -3.2 16.01 0 5 -12 40.06 17.46 0 5 -13 57.59 20.84 0 5 -14 -29.3 19.9 0 5 -15 -17.77 17.72 0 5 -16 64.69 22.1 0 -6 0 1687.74 64.5 0 -6 -1 1021.33 48.54 0 -6 1 1143.09 55.23 0 -6 2 302.46 31.21 0 -6 -2 260.77 24.49 0 -6 3 989.75 65.32 0 6 -3 569.84 21.96 0 6 -4 294.34 15.29 0 6 4 318.96 10.64 0 6 -5 31.47 16.62 0 6 -6 619.16 50.83 0 6 -7 100.27 25.36 0 6 -8 742.9 60.94 0 6 -9 208.34 36.32 0 6 -10 237.96 36.09 0 6 -11 36.43 18.37 0 6 -12 72.42 22.45 0 6 -13 -6.1 16.46 0 6 -14 285.66 40.99 0 6 -15 9.82 15.93 0 -7 0 0.87 7.81 0 -7 -1 129 20.03 0 -7 1 88.08 17.27 0 -7 -2 897.73 48.35 0 -7 2 1080.07 62.83 0 7 -3 138.76 11.93 0 -7 3 185.31 27.66 0 7 -4 259.61 14.4 0 7 4 243.68 10.37 0 7 -5 867.05 60.05 0 7 -6 78.59 23.16 0 7 -7 56.63 22.22 0 7 -8 618.22 59.76 0 7 -9 405.78 49.52 0 7 -10 10.47 14.13 0 7 -11 70.12 23.82 0 7 -12 119.98 29.06 0 7 -13 70.85 23.04 0 7 -14 0.25 19.03 0 -8 0 59.38 15.79 0 -8 -1 150.85 23.03 0 -8 1 138.57 22.85 0 -8 2 -18.25 19.7 0 -8 -2 4.08 10.02 0 8 -3 1042.56 57.46 0 -8 3 837.61 67.75 0 8 -4 2.42 3.25 0 8 4 5.38 3.26 0 -8 -4 6.76 8.93 0 8 -5 13.78 4.03 0 8 -5 56.27 22.5 0 8 -6 142.1 31.05 0 8 -7 950.29 73.8 0 8 -8 55.9 23.17 0 8 -9 232.42 39.57 0 8 -10 -0.67 16.74 0 8 -11 173.3 36.14 0 8 -12 54.87 23.01 0 8 -13 105.47 28.52 0 9 0 28.69 12.84 0 -9 0 -7.64 11.49 0 9 1 1221.74 48.94 0 -9 -1 856.23 56.83 0 9 -1 1340.74 61.33 0 -9 1 873.89 59.08 0 -9 2 320.58 39.96 0 9 2 480.69 28.55 0 9 -2 574.23 45.28 0 -9 -2 288.3 32.16 0 -9 3 173.87 27.75 0 9 3 259.27 19.73 0 -9 -3 215.82 29.35 0 9 -4 193.01 15.51 0 -9 -4 220.49 27.03 0 -9 -5 289.26 31.36 0 9 -5 612.22 60.89 0 9 -6 221.43 37.79 0 9 -7 36.65 22.2 0 9 -8 79 28.33 0 9 -9 458.42 58 0 9 -10 131.43 32.82 0 9 -11 137.97 33.37 0 9 -12 69.47 26.31 0 10 0 3197.44 98.79 0 -10 0 1649.8 82.96 0 -10 1 9.13 13.66 0 10 -1 105.77 24.08 0 -10 -1 39.74 14.23 0 10 1 104.82 18.72 0 10 -2 522.09 48.66 0 -10 -2 284.22 34.18 0 -10 2 239.88 36.41 0 10 2 449.16 31.17 0 -10 -3 335.45 35.07 0 10 -3 699.51 58.76 0 10 -4 32.04 20.69 0 -10 -4 9.77 11.38 0 10 -5 27.4 20.52 0 -10 -5 16.04 12 0 -10 -6 8.61 10.34 0 10 -6 14.29 18.4 0 -10 -7 16.36 10.59 0 10 -7 42.6 25.53 0 -10 -8 20.26 12.31 0 10 -8 33.4 22.01 0 -10 -9 22.36 11.32 0 10 -9 2.11 18.64 0 10 -10 24.5 19.72 0 10 -11 69.43 27.16 0 -11 0 -19.63 16.95 0 11 0 10.02 13.35 0 -11 -1 8.19 11.19 0 11 -1 48.07 18.85 0 11 1 57.15 16.81 0 -11 2 55.48 19.58 0 -11 -2 101.04 21.53 0 11 -3 19.36 17.66 0 -11 -3 6.48 10.27 0 11 -4 119.87 30.53 0 -11 -4 42.05 15.82 0 11 -5 18.22 18.75 0 -11 -5 12.99 11.38 0 -11 -6 406.16 40.4 0 11 -6 1061.11 83.98 0 -11 -7 51.64 17.04 0 11 -7 133.47 33.57 0 11 -8 189.16 39.14 0 -11 -8 92.54 19.46 0 11 -9 5.9 19.75 0 -11 -9 11.49 10.47 0 11 -10 13.62 18.99 0 -12 0 359.26 45.83 0 -12 -1 12.9 13 0 -12 1 -17.39 28.07 0 12 -2 13.83 17.3 0 -12 -2 -28 17.85 0 -12 -3 88.86 20.42 0 12 -3 250.77 38.94 0 -12 -4 101.43 22.11 0 12 -4 244.61 41.18 0 -12 -5 16.01 12.73 0 12 -5 51.65 23.8 0 12 -6 172.51 34.94 0 -12 -6 68.91 17.87 0 -12 -7 92.35 20.49 0 12 -7 233.39 43.05 0 -12 -8 13.27 11.81 0 12 -8 7.79 17.82 0 12 -9 13.89 20.85 0 -12 -9 10.2 10.48 0 -13 0 -54.37 28.66 0 -13 1 59.64 15.99 0 -13 -1 100.34 24.95 0 -13 -2 -20.66 18.4 0 13 -3 29.44 17.36 0 -13 -3 -4.03 14.85 0 -13 -4 -8.99 12.57 0 13 -4 4.93 16.76 0 -13 -5 -3.35 11.15 0 13 -5 0.34 18.51 0 13 -6 47.89 24.58 0 -13 -6 15.92 11.4 0 -13 -7 7.24 10.42 0 13 -7 19.94 22.3 0 -13 -8 23.89 12.98 0 13 -8 39.85 23.59 0 -14 -1 13.03 20.44 0 -14 -2 -35.04 25.34 0 -14 -3 80.33 22.23 0 -14 -4 -27.54 18.9 0 14 -5 10.89 17.17 0 -14 -5 -14.37 16.16 0 -14 -6 -18.99 13 0 14 -6 -5.57 20.31 0 -14 -7 21.49 11.74 0 14 -7 82.35 26.96 1 0 1 0.04 0.32 -1 0 1 0.02 0.15 -1 0 2 120.39 8.1 1 0 -2 129.86 8.8 -1 0 3 4806.68 58.25 1 0 -3 5394.62 65.38 1 0 -4 166.09 13.31 -1 0 4 148.06 11.78 -1 0 5 866.23 31.39 1 0 -5 969.84 35.47 1 0 -6 398.21 24.89 1 0 -7 2717.83 69.16 -1 0 -7 2480.86 66.27 -1 0 -8 510.55 32.46 1 0 -8 495.07 31.88 -1 0 -9 223.55 23.48 1 0 -9 239.62 23.35 1 0 -10 89.78 15.46 -1 0 -10 87.79 15.74 1 0 -11 249.16 26.57 -1 0 -11 353.3 30.71 -1 0 -12 15.84 8.74 1 0 -12 24.49 10.47 -1 0 -13 40.77 11.18 1 0 -13 35.94 13.83 -1 0 -14 9.5 8.39 1 0 -14 17.13 10.67 -1 0 -15 87.26 17.08 1 0 -15 80.58 17.78 1 0 -16 3.24 9.29 1 1 -17 2.35 9.06 1 1 -16 11.31 10.55 1 1 -15 21.16 12.37 1 1 -14 3.75 8.88 -1 -1 -14 3.85 7.45 1 1 -13 3.9 8.45 -1 -1 -13 1.9 6.26 -1 -1 -12 88.27 14.94 1 1 -12 75.49 17.58 1 1 -11 300.1 30.71 -1 -1 -11 322.59 26.81 1 1 -10 21.15 9.88 -1 -1 -10 32.7 9.58 1 1 -9 559.12 37.65 -1 -1 -9 654.34 34.77 -1 -1 -8 379.67 25.77 1 1 -8 348.29 28.1 1 1 -7 694.41 37.52 -1 -1 -7 731.4 32.89 1 1 -6 356.77 24.55 -1 1 6 337.97 19.97 -1 -1 -6 353.98 20.31 -1 1 5 1825.17 41.79 1 1 -5 1898.23 52.58 -1 1 4 396.39 17.31 1 1 -4 409.29 22.18 -1 1 3 1227.45 27.1 1 1 -3 1217.81 35.23 1 1 -2 42.57 5.7 -1 1 2 31.47 4.11 1 1 -1 365.81 14.03 1 -1 1 145.58 9.26 -1 1 1 343.93 12.12 1 1 0 6.3 1.59 -1 -1 0 0.22 0.49 -1 1 -1 524.27 16.36 -1 -1 1 35.12 4.25 -1 -1 2 141.2 9.98 1 -1 -2 135.26 8.62 1 -1 -3 1355.8 29.42 -1 -1 3 1166.22 32.43 -1 -1 4 343.27 19.21 1 -1 -4 402.65 18.92 1 -1 -5 2067.03 46.69 1 -1 -6 280.82 19.86 1 -1 -7 726.04 33.35 -1 1 -7 664.18 35.23 1 -1 -8 469.66 27.58 -1 1 -8 472.48 33.61 -1 1 -9 629.12 41.65 1 -1 -9 526.44 32.33 1 -1 -10 48.55 11 -1 1 -10 43.98 14.15 1 -1 -11 314.95 27.2 -1 1 -11 322.25 32.42 -1 1 -12 102.93 18.98 1 -1 -12 111.11 17.35 -1 1 -13 -9.99 12.71 1 -1 -13 2.37 7.27 1 -1 -14 5.56 7.67 -1 1 -14 -7.17 11.65 1 -1 -15 17.62 10.15 -1 1 -15 7.58 9.54 -1 1 -16 20.81 11.83 1 2 -17 23.66 14.06 1 2 -16 18.24 12.78 1 2 -15 4.4 10.95 1 2 -14 153.94 26.1 1 2 -13 12.62 11.92 -1 -2 -13 7.72 6.51 -1 -2 -12 38.51 9.95 1 2 -12 37.07 13.61 1 2 -11 47.62 14.24 -1 -2 -11 53.08 9.99 -1 -2 -10 269.04 20.48 1 2 -10 239.68 27.77 1 2 -9 16.54 8.44 -1 -2 -9 15.04 6.14 -1 -2 -8 338.68 21.21 1 2 -8 315.17 28.41 -1 -2 -7 66.73 9.05 1 2 -7 79.82 15.25 -1 2 6 1027.05 32.93 -1 -2 -6 1110.71 30.84 1 2 -6 1125.64 49.68 -1 -2 -5 72.45 7.38 1 2 -5 86.09 13.67 -1 2 5 57.23 7.01 1 -2 4 1691.79 35.61 -1 2 4 1636.72 33.7 1 -2 3 522.09 19.05 1 2 -3 565.29 24.35 1 2 -3 538.63 26.63 -1 2 2 162.67 9.51 1 -2 2 130.27 9.17 1 2 -2 157.44 13.18 1 2 -1 103.79 8.54 -1 2 1 200.74 12.42 1 2 0 6939.66 58.69 -1 -2 0 7019.26 53.99 -1 -2 1 167.91 9.98 -1 2 -1 162.98 10.61 -1 2 -2 133.23 9.93 1 -2 -2 189.24 10.78 -1 -2 2 186.05 13.4 -1 -2 2 132.11 10.49 -1 -2 3 534.94 22.84 1 -2 -3 658.36 20.61 1 -2 -4 2047.28 39.19 1 -2 -5 54.97 7.03 1 -2 -6 1180.14 35.61 1 -2 -7 62.21 10.07 -1 2 -8 350.69 29.76 1 -2 -8 295.43 21.12 1 -2 -9 1.62 4.42 -1 2 -9 23.69 13.93 -1 2 -10 343.07 35.82 1 -2 -10 231.5 22.37 1 -2 -11 62.48 12.3 -1 2 -11 94.44 20.33 -1 2 -12 40.52 14.8 1 -2 -12 33.32 10.59 -1 2 -13 3.07 10.89 1 -2 -13 18.31 9.4 -1 2 -14 129.06 24.16 1 -2 -14 131.3 18.23 -1 2 -15 -13.59 14.01 -1 2 -16 10.58 10.45 -1 2 -17 29.85 14.39 1 3 -17 -3.62 11.89 1 3 -16 49 17.69 1 3 -15 21.74 14.05 1 3 -14 8.16 11.51 1 3 -13 12.3 12.68 -1 -3 -12 216.81 18.48 1 3 -12 191.71 27.38 -1 -3 -11 46.51 8.5 1 3 -11 12.99 9.49 -1 -3 -10 35.33 7.52 1 3 -10 6.58 12.5 1 3 -9 -10.89 14.69 -1 -3 -9 6.14 4.07 -1 -3 -8 1342.14 35.63 1 3 -8 1243.7 62.71 -1 3 7 204.03 15.01 1 3 -7 207.57 24.77 -1 -3 -7 236.31 13.39 -1 -3 -6 1760.01 30.45 1 -3 6 1685.64 40.07 1 3 -6 1735.28 66.5 -1 3 6 1581.93 39.13 1 -3 5 10.36 3.73 -1 3 5 18 4.06 1 3 -5 12.19 7.61 1 3 -5 10.11 5.29 -1 -3 -5 17.75 2.86 1 -3 4 500.03 19.17 1 3 -4 463.9 30.71 -1 3 4 432.19 17.31 1 -3 3 176.57 11.42 1 3 -3 164.84 17.15 1 3 -3 158.97 14.43 -1 3 3 183.56 10.53 1 3 -2 5021.85 83.77 1 3 -1 136.2 12.12 1 -3 0 36.31 7.92 -1 3 0 40.87 7.19 1 3 0 27.42 4.94 -1 3 -1 69.91 10.23 1 3 1 62.21 5.25 -1 3 -2 6104.8 76.52 1 -3 -2 6231.17 81.12 -1 -3 2 6387.75 92.97 -1 3 -3 199.05 13.69 -1 -3 3 196.43 17.65 1 -3 -5 13.89 4.12 1 -3 -6 1900.01 43.06 1 -3 -7 263.63 16.13 -1 3 -8 1573.88 63.67 1 -3 -8 1340.07 41.84 1 -3 -9 5.82 4.36 -1 3 -9 31.63 14.21 1 -3 -10 60.59 10.61 -1 3 -10 98.48 22.89 1 -3 -11 35.93 8.31 -1 3 -11 72.84 21.42 -1 3 -12 351.56 38.75 1 -3 -12 277.76 23.04 -1 3 -13 17.04 11.69 1 -3 -13 30 9.07 -1 3 -14 3.48 13.46 -1 3 -15 6.21 13.79 -1 3 -16 40.67 15.21 -1 3 -17 22.94 15.63 1 4 -16 23.88 16.86 1 4 -15 21.72 16.32 1 4 -14 77.83 21.22 1 4 -13 10.52 10.02 1 4 -12 9.42 15.19 1 4 -11 8.28 14.7 1 4 -10 399.51 39.37 -1 -4 -10 431.56 20.92 -1 -4 -9 362.85 17.28 1 4 -9 296.95 33.57 -1 4 8 68.29 9.08 1 4 -8 96.96 19.11 -1 -4 -8 109.25 8.85 1 -4 7 1053.03 31.86 -1 -4 -7 1066.31 22.1 1 4 -6 402.16 35.24 -1 -4 -6 433.75 10.64 1 -4 6 396.33 18.36 1 -4 5 395.92 18.74 -1 4 5 318.67 14.98 1 4 -5 392.49 32.73 -1 4 4 315.36 14.02 1 4 -4 343.87 27.72 -1 4 3 798.73 22.7 1 4 -3 739.42 38.99 1 4 -2 460.97 28.19 1 4 -1 645.1 30.04 1 4 0 1131.52 34.52 -1 4 0 1248.46 40.98 1 4 1 651.65 20.76 -1 -4 1 708.37 33.86 1 -4 -1 716.05 35.44 -1 -4 2 587.68 32.13 1 4 2 463.65 11.57 1 -4 -2 540.04 28.95 -1 4 -2 463.39 20.94 -1 -4 3 1019.84 45.58 -1 4 -3 802.33 27.3 -1 4 -4 315.89 18.91 -1 -4 4 313.17 30.6 -1 -4 6 568.24 15.5 1 -4 -6 561.79 21.86 1 -4 -7 1223.92 34.95 -1 -4 7 1128.32 25.69 1 -4 -8 105.34 11.35 -1 4 -8 177.85 26.44 -1 4 -9 500.85 48.4 1 -4 -9 352.59 21.28 1 -4 -10 332.45 20.91 -1 4 -10 510.23 48.05 -1 4 -11 150.87 30.46 1 -4 -11 89.12 11.59 -1 4 -12 61.09 20.96 -1 4 -13 34.06 15.99 -1 4 -14 72.78 22.05 -1 4 -15 -9.88 15.89 -1 4 -16 -14.39 17 1 5 -15 64.57 23.12 1 5 -14 16.5 15.78 1 5 -13 12.84 13.16 1 5 -12 40.62 14.41 1 5 -11 249.12 34.5 1 5 -10 245.34 33.92 1 5 -9 1004 65.57 -1 -5 -9 1001.55 22.88 -1 5 8 80.67 9.35 1 5 -8 139.58 23.2 1 -5 7 49.07 7.22 1 5 -7 56.55 17.1 -1 5 7 38.08 6.08 1 -5 6 13.11 3.87 1 5 -6 24.92 13 -1 5 6 15.47 3.77 -1 5 5 1174.44 28.72 1 5 -5 1561.92 67.42 -1 5 4 92.69 7.96 1 5 -4 135.78 19.95 1 5 -3 280.5 26.95 1 5 -2 321.64 25.96 1 5 -1 661.83 34.07 1 -5 1 1082.89 63.29 1 -5 0 461.58 33.93 1 5 0 392.41 22.75 -1 -5 1 547.34 32.58 1 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15.21 -8 -10 4 9.86 11.59 -8 10 -4 14.73 15.83 -8 -10 5 55.97 19.23 -8 10 -5 32.56 18.44 -8 10 -6 15.07 15.47 -8 -10 6 19.36 12.75 8 11 -6 15.8 16.18 8 11 -5 2.72 13.11 -8 11 2 27.79 20.05 -8 11 1 41.22 22.3 -8 11 0 10.77 19.01 -8 11 -1 21.76 16.98 -8 11 -2 12.93 14.18 -8 11 -3 7.19 13.92 -8 -11 3 65.8 20.28 -8 -11 4 5.58 13.59 -8 11 -4 2.51 15.11 -8 11 -5 -0.75 13.44 -8 -11 5 8.34 12.72 -8 -11 6 -5.94 12.14 -8 12 -2 12.63 14.24 -8 12 -3 5.45 12.52 -9 0 0 -0.64 11.32 -9 0 -1 -3.98 14.69 -9 0 1 2.7 14.67 -9 0 2 158.85 30.7 -9 0 3 25.44 15.79 -9 0 4 -3.39 13.03 -9 0 5 160.66 31.18 -9 0 6 131.05 29.33 -9 0 7 16.35 16.21 -9 0 8 185.24 34.24 -9 0 9 27.8 18.74 -9 0 10 14.88 17.59 9 0 -10 7.01 13.04 9 0 -11 27.05 14.57 9 1 -11 20.9 15.34 -9 1 11 34.9 21.85 -9 1 10 74.53 25.93 9 1 -10 50.23 18.51 -9 1 9 23.21 18.9 9 1 -9 9.4 11.89 -9 1 8 38.12 21.38 9 1 -8 27.67 15.78 -9 1 7 25.99 18.8 -9 1 6 83.17 26.2 -9 1 5 55.34 23.56 -9 1 4 157.12 31.3 -9 1 3 51.08 19.16 -9 1 2 72.88 21.31 -9 1 1 16.74 16.68 -9 -1 0 233.99 35.89 -9 1 0 250.55 38.59 -9 -1 1 11.83 12.61 -9 1 -1 7.95 13.4 -9 1 -2 50.88 20.6 -9 -1 2 85.32 23.55 -9 -1 3 63.15 20.19 -9 -1 4 142.24 27.19 -9 -1 5 42.56 16.98 -9 -1 6 59.23 19.1 -9 -1 7 22.83 16.32 -9 -1 8 30.02 17.66 -9 -1 9 17.63 15.93 9 2 -11 5.86 14.8 9 2 -10 17.39 17.05 9 2 -9 34.59 16.87 -9 2 9 65.33 25.29 -9 2 8 21.92 19 9 2 -8 10.76 13.93 -9 2 7 14.56 19.4 9 2 -7 7.49 13.02 -9 2 6 60.43 24.07 -9 2 5 184.81 35.33 -9 2 4 47.03 23.75 -9 2 3 90.79 26.48 -9 2 2 39.36 17.02 -9 2 1 366.69 44.08 -9 2 0 24.64 18.03 -9 -2 1 369.19 41.42 -9 2 -1 415.84 51.69 -9 -2 2 49.68 17.21 -9 2 -2 55.43 22.43 -9 2 -3 94.72 26.5 -9 -2 3 105.45 22.94 -9 -2 4 59.04 18.69 -9 -2 5 137.21 25.42 -9 -2 6 31.68 14.41 -9 -2 7 -4.29 11.11 9 3 -10 68.4 22.03 9 3 -9 7.47 13.13 9 3 -8 14.92 15.57 -9 3 8 14.63 19.61 -9 3 7 135.13 32.36 9 3 -7 77.88 21.95 -9 3 6 63.11 25.89 9 3 -6 28.83 16.82 -9 3 5 116.26 30.92 9 3 -5 66.56 20.6 -9 3 4 12.8 16.9 -9 3 3 216.1 39.08 -9 3 2 123.72 30.22 -9 3 1 82.84 24.65 -9 3 0 11.83 12.74 -9 3 -1 82.14 26.27 -9 3 -2 108.44 29.97 -9 -3 3 200.23 28.65 -9 3 -3 189.21 35.08 -9 3 -4 12.95 17.57 -9 -3 4 20.74 11.57 -9 -3 5 100.05 20.76 -9 -3 6 25.2 13.27 9 4 -10 14.48 15.84 9 4 -9 46 19.46 9 4 -8 68.12 22.24 9 4 -7 9.03 13.74 -9 4 7 24.26 21.8 -9 4 6 104.27 28.49 9 4 -6 89.95 23.49 -9 4 5 56.92 26.47 9 4 -5 27.88 16.26 -9 4 4 87.64 27.59 -9 4 3 25.82 20.35 -9 4 2 250.54 42.45 -9 4 1 168.42 35.49 -9 4 0 7.23 15.08 -9 4 -1 150.27 32.01 -9 4 -2 209.19 37.86 -9 4 -3 28.13 17.44 -9 4 -4 81.26 25.13 -9 4 -5 40.52 21.82 9 5 -9 16.2 17.46 9 5 -8 41.4 20.08 9 5 -7 20.88 14.7 -9 5 6 28.62 22.96 9 5 -6 1.82 13.23 -9 5 5 10.6 17.66 9 5 -5 4.88 13.79 -9 5 4 67.99 28.8 9 5 -4 34.91 14.72 -9 5 3 7.21 18.52 -9 5 2 -1.36 18.09 -9 5 1 -0.79 18.29 -9 5 0 257.34 39.81 -9 5 -1 -2.74 17.16 -9 5 -2 -3.28 15.75 -9 5 -3 14.34 16.08 -9 5 -4 72.84 24.94 -9 5 -5 5.57 14.47 9 6 -9 18.35 16.24 9 6 -8 25.12 17.22 9 6 -7 18.23 16.48 9 6 -6 13.07 13.36 -9 6 6 55.5 25.89 -9 6 5 41.57 23.74 9 6 -5 23.7 15.05 -9 6 4 132.88 33.59 9 6 -4 90.68 23.19 -9 6 3 47.21 23.4 9 6 -3 17.68 12.39 -9 6 2 74.8 27.36 -9 6 1 12.91 15.93 -9 6 0 5.07 17.25 -9 6 -1 12.33 15.13 -9 6 -2 60.91 24.38 -9 6 -3 38.85 21.71 -9 6 -4 118.64 29.74 -9 6 -5 2.56 15.3 9 7 -8 13.29 14.52 9 7 -7 15 15.41 9 7 -6 14.57 15.17 -9 7 5 6.35 17.59 9 7 -5 4.65 12.64 -9 7 4 97.86 31.25 9 7 -4 58.87 19.85 -9 7 3 136.27 33 9 7 -3 103.09 22.67 -9 7 2 8.19 18.46 -9 7 1 38.79 22.51 -9 7 0 89.02 27.75 -9 7 -1 24.97 18.99 -9 7 -2 -4.61 16.88 -9 7 -3 123.71 30.48 -9 7 -4 75.9 25.47 -9 7 -5 3.22 14.03 -9 7 -6 7.29 15.34 9 8 -7 8.39 16.38 9 8 -6 -1.84 11.46 -9 8 5 63.68 26.82 9 8 -5 32.13 16.17 -9 8 4 49.28 23.5 9 8 -4 37.58 17.35 -9 8 3 36.78 24.39 9 8 -3 13.17 11.99 -9 8 2 54.37 24.84 -9 8 1 91.97 30.68 -9 8 0 -6.41 18.42 -9 8 -1 65.7 22.98 -9 8 -2 9.67 15.42 -9 8 -3 18.21 17.49 -9 8 -4 58.84 23.77 -9 8 -5 23.06 16.8 -9 -8 5 47.56 16.54 -9 8 -6 2.67 14.41 9 9 -6 0.21 13.39 9 9 -5 5.33 13.78 -9 9 4 24.36 22.15 9 9 -4 13.99 14.47 -9 9 3 73.39 27.07 9 9 -3 56.16 18.91 -9 9 2 17.11 19.95 9 9 -2 10.51 11.41 -9 9 1 35.31 22.36 -9 9 0 25.11 19.28 -9 9 -1 17.11 17.42 -9 9 -2 8.02 14.08 -9 9 -3 80.76 26.28 -9 9 -4 10.65 16.72 -9 -9 5 18.46 12.79 -9 9 -5 3.35 14.53 -9 9 -6 -4.73 16.76 9 10 -5 29.43 16.48 9 10 -4 -0.31 11.95 -9 10 1 3.51 19.47 -9 10 0 14.5 19.31 -9 10 -1 2.01 13.73 -9 10 -2 -2.65 15.58 -9 10 -3 17.1 17.02 -9 -10 4 12.97 13.57 -9 10 -4 -5.85 15.45 -9 10 -5 11.02 14.86 -9 -10 5 26.96 16.58 -10 0 0 39.57 19.06 -10 0 -1 154.33 34.02 -10 0 1 137.21 30.7 -10 0 2 5.27 14.63 -10 0 3 70.13 24.28 -10 0 4 0.24 14.32 -10 0 5 205.78 34.52 -10 0 6 0.98 15.44 -10 0 7 -1.25 15.77 -10 0 8 45.06 21.06 -10 0 9 61.63 25.63 -10 1 10 71.4 26.32 -10 1 9 9.12 17.41 -10 1 8 47.35 24.86 -10 1 7 84.75 28.1 -10 1 6 13.76 16.66 -10 1 5 -5.38 17.99 -10 1 4 72.88 23.25 -10 1 3 68.4 24.03 -10 1 2 15.71 17.07 -10 1 1 11.83 17.34 -10 -1 0 -2.93 16.74 -10 1 0 -7.9 16.9 -10 -1 1 20.64 15.51 -10 1 -1 17.92 16.88 -10 1 -2 27.76 21.12 -10 -1 2 25.19 17.05 -10 -1 3 101.69 27.07 -10 -1 4 87.66 25.32 -10 -1 5 12.22 14.44 -10 -1 6 9.28 13.74 -10 -1 7 46.31 17.74 -10 -1 8 22.57 15.57 -10 2 11 35.87 22.24 -10 2 10 32.45 22.8 -10 2 9 23.53 22.44 10 2 -9 10 14.55 -10 2 8 126.46 34.34 -10 2 7 53.64 25.09 -10 2 6 92.33 30.28 -10 2 5 18.13 20.1 -10 2 4 -7.18 18.03 -10 2 3 1.54 15.83 -10 2 2 135.17 31.28 -10 2 1 9.99 18.45 -10 2 0 27.68 20.82 -10 2 -1 5.23 14.68 -10 -2 2 126.85 28.05 -10 2 -2 114.8 29.57 -10 2 -3 0.47 16.53 -10 -2 3 0.5 11.1 -10 -2 4 1.22 12.86 -10 -2 5 26.46 16.56 -10 -2 6 109.63 25.49 -10 3 11 37.95 24.22 -10 3 10 50.75 24.52 -10 3 9 16.29 20.47 -10 3 8 35.23 24.83 10 3 -8 13.41 13.33 -10 3 7 11.86 20.04 -10 3 6 82.66 30.08 -10 3 5 2.49 19.05 -10 3 4 13.69 20.56 -10 3 3 34.57 20.8 -10 3 2 -6.62 15.82 -10 3 1 35.45 19.4 -10 3 0 57.94 25.37 -10 3 -1 45.45 24.64 -10 3 -2 7.38 14.5 -10 3 -3 29.28 20.99 -10 3 -4 20.2 18.65 -10 -3 4 25.64 14.78 -10 -3 5 6.48 11.22 -10 4 9 17.1 21.82 -10 4 8 53.8 24.64 10 4 -8 26.04 15.92 -10 4 7 4.43 19.69 10 4 -7 8.51 13.39 -10 4 6 89.56 31.84 -10 4 5 87.18 29.25 -10 4 4 17.06 24.52 -10 4 3 28 19.9 -10 4 2 87.46 27.17 -10 4 1 56.4 23.2 -10 4 0 16.39 16.5 -10 4 -1 63.64 26.07 -10 4 -2 102.11 31.93 -10 4 -3 36.03 20.19 -10 4 -4 39.99 22.63 -10 5 8 11.47 21.24 -10 5 7 116.68 34.41 10 5 -7 86.41 24.74 -10 5 6 45.09 26.71 10 5 -6 21.91 16.26 -10 5 5 65 29.77 -10 5 4 5.53 22.22 -10 5 3 85.1 32.6 -10 5 2 8.94 16.46 -10 5 1 52.74 21.98 -10 5 0 -8.43 18.33 -10 5 -1 53.44 25.51 -10 5 -2 2.69 17.93 -10 5 -3 78.35 28.48 -10 5 -4 11.21 17.38 -10 5 -5 42.77 24.36 -10 6 7 11.04 20.53 10 6 -7 16.35 17.21 -10 6 6 65.84 28.2 10 6 -6 50.21 18.88 -10 6 5 25.6 24.02 10 6 -5 15.91 13.93 -10 6 4 72.43 30.08 -10 6 3 7.48 17.94 -10 6 2 32.13 24.73 -10 6 1 36.38 23.08 -10 6 0 -14.52 19.22 -10 6 -1 26.33 18.72 -10 6 -2 16.72 20.97 -10 6 -3 16.53 18.65 -10 6 -4 24.43 19.28 -10 6 -5 17.46 16.79 10 7 -6 12.38 14.74 -10 7 5 8.96 21.63 10 7 -5 1.13 10.5 -10 7 4 46.52 26.4 -10 7 3 51.65 27.14 -10 7 2 9.01 20.83 -10 7 1 14.73 21.91 -10 7 0 63.62 25.7 -10 7 -1 8.51 16.16 -10 7 -2 12.68 18.32 -10 7 -3 30.91 22.98 -10 7 -4 39.17 21.17 -10 7 -5 -14.85 20.12 10 8 -5 21.9 14.89 10 8 -4 1.64 11.81 -10 8 2 11.54 20.19 -10 8 1 9.06 18.11 -10 8 0 -4.87 17.12 -10 8 -1 12.72 15.67 -10 8 -2 6.57 17.14 -10 8 -3 5.79 18.62 -10 8 -4 0.85 16.06 10 9 -5 11.59 15.62 10 9 -4 21.7 14.3 -11 0 0 -8.11 18.37 -11 0 1 12.74 15.16 -11 0 2 77.07 25.55 -11 0 3 9.23 18.94 -11 0 4 6.27 16.53 -11 0 5 19.64 17.79 -11 0 6 4.52 15.31 -11 0 7 11.12 17.51 -11 0 8 28.93 18.52 -11 1 9 4.01 18.67 -11 1 8 0.92 19.28 -11 1 7 13.78 18.6 -11 1 6 -2.89 15.7 -11 1 5 -3.46 18.72 -11 1 4 6.87 17.33 -11 1 3 6.78 18.34 -11 1 2 32.41 21 -11 1 1 71.43 27.66 -11 1 0 143.85 33.98 -11 -1 1 80.24 27.73 -11 1 -1 60.26 26.45 -11 -1 2 38.57 20.31 -11 -1 3 11.13 16.33 -11 -1 4 9.43 14.91 -11 -1 5 33.94 20 -11 -1 6 15.84 17.33 -11 -1 7 0.26 14.44 -11 2 9 26.72 24.14 -11 2 8 49.41 26.54 -11 2 7 -0.6 20.08 -11 2 6 16.69 21.38 -11 2 5 21.89 18.99 -11 2 4 15.36 18.33 -11 2 3 52.22 24.17 -11 2 2 32.9 23.55 -11 2 1 108.02 32.26 -11 2 0 -1.01 18.87 -11 2 -1 131.61 32.84 -11 2 -2 28.51 23.27 -11 -2 3 64.64 22.7 -11 -2 4 12.69 14.97 -11 -2 5 23.45 15.61 -11 3 8 17.16 23.16 -11 3 7 35.67 27.35 -11 3 6 -0.57 20.96 -11 3 5 15.93 21.31 -11 3 4 5.64 19.95 -11 3 3 74.25 26.24 -11 3 2 -8.54 20.5 -11 3 1 24.53 22.11 -11 3 0 7.72 19.02 -11 3 -1 29.27 21.72 -11 3 -2 7.62 16.9 -11 3 -3 45.64 24.85 -11 4 7 24.98 25.94 -11 4 6 -9.76 25.73 -11 4 5 11.99 22.73 -11 4 4 27.24 25.25 -11 4 3 13.24 16.82 -11 4 2 63.41 27.37 -11 4 1 25.88 23.36 -11 4 0 47.04 24.08 -11 4 -1 22.75 21.98 -11 4 -2 53.45 25.23 -11 4 -3 1 19.17 -11 4 -4 50.54 26.44 -11 5 5 7.4 21.09 -11 5 4 16.06 20.09 -11 5 3 -21.01 23.99 -11 5 2 6.57 16.82 -11 5 1 26.84 22.66 -11 5 0 43.01 26.4 -11 5 -1 32.54 24.84 -11 5 -2 15 22.77 -11 5 -3 2.27 17.53 -11 5 -4 9.51 19.82 -11 6 2 13.07 21 -11 6 1 6.27 18.22 -11 6 0 -2.75 18.28 -11 6 -1 18.45 21.21 -11 6 -2 38.64 23.6 -12 0 1 22.41 21.22 -12 0 2 25.84 19.61 -12 0 3 11.54 16.94 -12 0 4 17.68 20.47 -12 0 5 30.57 22.97 -12 0 6 2.28 18.09 -12 0 7 -0.3 16.91 -12 1 7 12.29 18.81 -12 1 6 11.28 18.94 -12 1 5 -9.36 20.24 -12 1 4 -5.3 20.51 -12 1 3 5.17 19.09 -12 1 2 23.77 20.4 -12 1 1 13.92 20.43 -12 1 0 7.4 17.83 -12 1 -1 2.28 18.47 -12 -1 2 6.89 17.42 -12 -1 3 8.71 17.88 -12 -1 4 -1.2 15.88 -12 -1 5 18.32 20.1 -12 2 6 7.57 19.27 -12 2 5 16.84 19.97 -12 2 4 5.89 18.79 -12 2 3 15.64 21.43 -12 2 2 33.96 25.24 -12 2 1 9.72 18.05 -12 2 0 2.5 19.3 -12 2 -1 33.52 23.68 -12 -2 4 7.67 16.33 -12 3 3 -1.63 20.78 -12 3 2 8.42 20.8 -12 3 1 49.32 28.99 -12 3 0 65.87 27.73 -12 3 -1 20.78 21.4 -13 -1 3 14.52 21.69 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 C4 N1 C5 116.4(9) . . ? C12 N2 C6 107.0(7) . . ? C11 N3 C7 121.7(8) . . ? C11 N3 C12 131.7(8) . . ? C12 N3 C7 106.7(7) . . ? C2 C1 H1 119.7 . . ? C2 C1 C5 120.6(10) . . ? C5 C1 H1 119.7 . . ? C1 C2 H2 121.2 . . ? C1 C2 C3 117.7(11) . . ? C3 C2 H2 121.2 . . ? C2 C3 H3 120.9 . . ? C4 C3 C2 118.1(10) . . ? C4 C3 H3 120.9 . . ? N1 C4 C3 125.0(10) . . ? N1 C4 H4 117.5 . . ? C3 C4 H4 117.5 . . ? N1 C5 C1 122.1(8) . . ? N1 C5 C6 116.1(8) . . ? C1 C5 C6 121.8(8) . . ? N2 C6 C5 122.1(8) . . ? N2 C6 C7 109.8(7) . . ? C7 C6 C5 128.1(8) . . ? N3 C7 C8 117.4(8) . . ? C6 C7 N3 104.8(7) . . ? C6 C7 C8 137.8(8) . . ? C7 C8 H8 119.7 . . ? C9 C8 C7 120.7(9) . . ? C9 C8 H8 119.7 . . ? C8 C9 H9 119.8 . . ? C8 C9 C10 120.4(9) . . ? C10 C9 H9 119.8 . . ? C9 C10 H10 120.2 . . ? C11 C10 C9 119.5(10) . . ? C11 C10 H10 120.2 . . ? N3 C11 H11 119.9 . . ? C10 C11 N3 120.3(9) . . ? C10 C11 H11 119.9 . . ? N2 C12 N3 111.8(7) . . ? N2 C12 C13 126.6(8) . . ? N3 C12 C13 121.6(8) . . ? C14 C13 C12 122.3(8) . . ? C14 C13 C18 116.6(9) . . ? C18 C13 C12 121.0(8) . . ? C13 C14 Br1 119.5(7) . . ? C13 C14 C15 123.0(9) . . ? C15 C14 Br1 117.5(7) . . ? C14 C15 H15 120.7 . . ? C16 C15 C14 118.5(10) . . ? C16 C15 H15 120.7 . . ? C15 C16 H16 119.7 . . ? C15 C16 C17 120.7(10) . . ? C17 C16 H16 119.7 . . ? C16 C17 H17 119.9 . . ? C18 C17 C16 120.2(9) . . ? C18 C17 H17 119.9 . . ? C13 C18 H18 119.5 . . ? C17 C18 C13 121.0(10) . . ? C17 C18 H18 119.5 . . ? 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 Br1 C14 1.918(9) . ? N1 C4 1.324(11) . ? N1 C5 1.363(12) . ? N2 C6 1.377(11) . ? N2 C12 1.294(10) . ? N3 C7 1.397(11) . ? N3 C11 1.375(11) . ? N3 C12 1.377(11) . ? C1 H1 0.9300 . ? C1 C2 1.367(13) . ? C1 C5 1.374(13) . ? C2 H2 0.9300 . ? C2 C3 1.400(15) . ? C3 H3 0.9300 . ? C3 C4 1.370(15) . ? C4 H4 0.9300 . ? C5 C6 1.474(12) . ? C6 C7 1.388(12) . ? C7 C8 1.413(13) . ? C8 H8 0.9300 . ? C8 C9 1.338(14) . ? C9 H9 0.9300 . ? C9 C10 1.434(13) . ? C10 H10 0.9300 . ? C10 C11 1.340(13) . ? C11 H11 0.9300 . ? C12 C13 1.483(12) . ? C13 C14 1.374(12) . ? C13 C18 1.417(13) . ? C14 C15 1.384(13) . ? C15 H15 0.9300 . ? C15 C16 1.374(15) . ? C16 H16 0.9300 . ? C16 C17 1.376(15) . ? C17 H17 0.9300 . ? C17 C18 1.369(13) . ? C18 H18 0.9300 . ? 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 Br1 C14 C15 C16 177.6(8) . . . . ? N1 C5 C6 N2 -173.9(8) . . . . ? N1 C5 C6 C7 6.5(13) . . . . ? N2 C6 C7 N3 0.7(10) . . . . ? N2 C6 C7 C8 -178.8(11) . . . . ? N2 C12 C13 C14 104.4(11) . . . . ? N2 C12 C13 C18 -72.3(13) . . . . ? N3 C7 C8 C9 -0.6(15) . . . . ? N3 C12 C13 C14 -75.5(12) . . . . ? N3 C12 C13 C18 107.8(11) . . . . ? C1 C2 C3 C4 0.4(16) . . . . ? C1 C5 C6 N2 5.9(13) . . . . ? C1 C5 C6 C7 -173.8(9) . . . . ? C2 C1 C5 N1 -0.1(14) . . . . ? C2 C1 C5 C6 -179.8(9) . . . . ? C2 C3 C4 N1 -0.7(17) . . . . ? C4 N1 C5 C1 -0.3(13) . . . . ? C4 N1 C5 C6 179.5(8) . . . . ? C5 N1 C4 C3 0.7(15) . . . . ? C5 C1 C2 C3 0.0(15) . . . . ? C5 C6 C7 N3 -179.7(8) . . . . ? C5 C6 C7 C8 0.9(18) . . . . ? C6 N2 C12 N3 1.4(10) . . . . ? C6 N2 C12 C13 -178.6(9) . . . . ? C6 C7 C8 C9 178.8(11) . . . . ? C7 N3 C11 C10 -1.0(14) . . . . ? C7 N3 C12 N2 -0.9(10) . . . . ? C7 N3 C12 C13 179.0(8) . . . . ? C7 C8 C9 C10 0.7(17) . . . . ? C8 C9 C10 C11 -0.9(16) . . . . ? C9 C10 C11 N3 1.0(15) . . . . ? C11 N3 C7 C6 -178.9(8) . . . . ? C11 N3 C7 C8 0.7(13) . . . . ? C11 N3 C12 N2 177.9(9) . . . . ? C11 N3 C12 C13 -2.2(15) . . . . ? C12 N2 C6 C5 179.0(8) . . . . ? C12 N2 C6 C7 -1.3(10) . . . . ? C12 N3 C7 C6 0.1(9) . . . . ? C12 N3 C7 C8 179.7(8) . . . . ? C12 N3 C11 C10 -179.7(10) . . . . ? C12 C13 C14 Br1 4.4(12) . . . . ? C12 C13 C14 C15 -175.7(9) . . . . ? C12 C13 C18 C17 177.1(9) . . . . ? C13 C14 C15 C16 -2.2(16) . . . . ? C14 C13 C18 C17 0.2(14) . . . . ? C14 C15 C16 C17 1.9(17) . . . . ? C15 C16 C17 C18 -0.7(17) . . . . ? C16 C17 C18 C13 -0.5(16) . . . . ? C18 C13 C14 Br1 -178.7(7) . . . . ? C18 C13 C14 C15 1.1(14) . . . . ?