#------------------------------------------------------------------------------ #$Date: 2022-02-04 21:18:03 +0200 (Fri, 04 Feb 2022) $ #$Revision: 272603 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/24/38/7243816.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_7243816 loop_ _publ_author_name 'Verma, Abhineet' 'Bhuvanesh, Nattamai' 'Reibenspies, Joseph' 'Tayade, Sakharam B.' 'Kumbhar, Avinash S.' 'Bretosh, Kateryna' 'Sutter, Jean-Pascal' 'Sunkari, Sailaja S.' _publ_section_title ; Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides ; _journal_issue 1 _journal_name_full CrystEngComm _journal_page_first 119 _journal_page_last 131 _journal_paper_doi 10.1039/D1CE01096D _journal_volume 24 _journal_year 2022 _chemical_formula_moiety 'C8 H20 Cu N7, N3' _chemical_formula_sum 'C8 H20 Cu N10' _chemical_formula_weight 319.88 _chemical_melting_point 508.15 _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 dual _audit_creation_date 2021-09-15 _audit_creation_method ; Olex2 1.3 (compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272) ; _audit_update_record ; 2021-09-27 deposited with the CCDC. 2021-10-04 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 92.8489(12) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.3568(4) _cell_length_b 14.4655(7) _cell_length_c 11.2207(5) _cell_measurement_reflns_used 9981 _cell_measurement_temperature 273(2) _cell_measurement_theta_max 28.34 _cell_measurement_theta_min 2.82 _cell_volume 1354.74(11) _computing_cell_refinement 'SAINT V8.38A (Bruker, 2018)' _computing_data_collection 'Bruker APEX2' _computing_data_reduction 'SAINT V8.38A (Bruker, 2018)' _computing_molecular_graphics 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT (Sheldrick, 2015)' _diffrn_ambient_temperature 273.15 _diffrn_detector 'Bruker PHOTON 2 area detector' _diffrn_detector_area_resol_mean 7.41 _diffrn_detector_type 'Charge-integrating Pixel Array Detector' _diffrn_measured_fraction_theta_full 0.997 _diffrn_measured_fraction_theta_max 0.998 _diffrn_measurement_device 'Kappa diffractometer' _diffrn_measurement_device_type 'Bruker Photon 2 area detector' _diffrn_measurement_method '\w and \f scans' _diffrn_radiation_monochromator 'mirror optics' _diffrn_radiation_probe x-ray _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0329 _diffrn_reflns_av_unetI/netI 0.0211 _diffrn_reflns_Laue_measured_fraction_full 0.997 _diffrn_reflns_Laue_measured_fraction_max 0.998 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_number 21100 _diffrn_reflns_point_group_measured_fraction_full 0.997 _diffrn_reflns_point_group_measured_fraction_max 0.998 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 28.358 _diffrn_reflns_theta_min 3.287 _diffrn_source 'microfocus sealed X-ray tube' _diffrn_source_current 1.0 _diffrn_source_power 0.05 _diffrn_source_type 'Incoatec I\ms' _diffrn_source_voltage 50.0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 1.618 _exptl_absorpt_correction_T_max 0.7457 _exptl_absorpt_correction_T_min 0.6201 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0914 before and 0.0419 after correction. The Ratio of minimum to maximum transmission is 0.8316. The \l/2 correction factor is Not present. ; _exptl_crystal_colour blue _exptl_crystal_colour_primary blue _exptl_crystal_density_diffrn 1.568 _exptl_crystal_description block _exptl_crystal_F_000 668 _exptl_crystal_recrystallization_method 'Ether diffusion into methanolic mother liquor' _exptl_crystal_size_max 0.212 _exptl_crystal_size_mid 0.201 _exptl_crystal_size_min 0.201 _refine_diff_density_max 0.388 _refine_diff_density_min -0.322 _refine_diff_density_rms 0.056 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.076 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 172 _refine_ls_number_reflns 3376 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.076 _refine_ls_R_factor_all 0.0268 _refine_ls_R_factor_gt 0.0220 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0220P)^2^+0.8011P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0525 _refine_ls_wR_factor_ref 0.0547 _reflns_Friedel_coverage 0.000 _reflns_number_gt 3049 _reflns_number_total 3376 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d1ce01096d2.cif _cod_data_source_block iitk7_0m _cod_depositor_comments 'Adding full bibliography for 7243811--7243817.cif.' _cod_database_code 7243816 _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_max 0.737 _shelx_estimated_absorpt_t_min 0.725 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H,H) groups, All N(H) groups 2.a Ternary CH refined with riding coordinates: N1(H1), N2(H2), N3(H3), N4(H4) 2.b Secondary CH2 refined with riding coordinates: C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B), C7(H7A,H7B), C8(H8A,H8B) ; _shelx_res_file ; TITL iitk7_0m.res created by SHELXL-2018/3 at 11:17:01 on 15-Sep-2021 CELL 0.71073 8.3568 14.4655 11.2207 90 92.8489 90 ZERR 4 0.0004 0.0007 0.0005 0 0.0012 0 LATT 1 SYMM 0.5-X,0.5+Y,0.5-Z SFAC C H Cu N UNIT 32 80 4 40 L.S. 4 PLAN 1 SIZE 0.201 0.201 0.212 TEMP 0 CONF MORE -1 BOND $H fmap 2 acta OMIT 0 1 1 REM REM REM WGHT 0.022000 0.801100 FVAR 0.22850 CU1 3 0.305803 0.437823 0.654285 11.00000 0.00828 0.00653 = 0.00772 0.00015 0.00051 0.00062 N1 4 0.232669 0.341495 0.534239 11.00000 0.01138 0.01068 = 0.01019 0.00000 0.00076 0.00000 AFIX 13 H1 2 0.189408 0.371232 0.461064 11.00000 -1.20000 AFIX 0 N2 4 0.522014 0.375069 0.654998 11.00000 0.01134 0.00955 = 0.00778 0.00116 0.00146 0.00009 AFIX 13 H2 2 0.587976 0.405367 0.596654 11.00000 -1.20000 AFIX 0 N3 4 0.370406 0.477126 0.823845 11.00000 0.01062 0.00940 = 0.01065 -0.00012 0.00129 0.00012 AFIX 13 H3 2 0.429576 0.535614 0.823704 11.00000 -1.20000 AFIX 0 N4 4 0.077023 0.436158 0.709639 11.00000 0.01042 0.01113 = 0.01302 -0.00039 -0.00010 0.00091 AFIX 13 H4 2 0.026465 0.496387 0.694170 11.00000 -1.20000 AFIX 0 N5 4 0.320348 0.562429 0.558850 11.00000 0.02094 0.00797 = 0.01284 0.00125 0.00478 0.00182 N6 4 0.276758 0.632366 0.603464 11.00000 0.01066 0.01173 = 0.00940 0.00228 0.00067 -0.00145 N7 4 0.234760 0.701382 0.644024 11.00000 0.02787 0.01353 = 0.02525 -0.00488 0.00521 0.00321 C1 1 0.371468 0.282523 0.507691 11.00000 0.01428 0.01084 = 0.01263 -0.00277 0.00271 0.00111 AFIX 23 H1A 2 0.424848 0.307575 0.440000 11.00000 -1.20000 H1B 2 0.334783 0.220634 0.487293 11.00000 -1.20000 AFIX 0 C2 1 0.488562 0.278661 0.616259 11.00000 0.01322 0.00869 = 0.01405 -0.00010 0.00266 0.00262 AFIX 23 H2A 2 0.442215 0.244079 0.680096 11.00000 -1.20000 H2B 2 0.587004 0.248355 0.595722 11.00000 -1.20000 AFIX 0 C3 1 0.601602 0.383990 0.775572 11.00000 0.00923 0.01345 = 0.01245 0.00154 -0.00062 0.00018 AFIX 23 H3A 2 0.676712 0.435141 0.776538 11.00000 -1.20000 H3B 2 0.660865 0.327952 0.795395 11.00000 -1.20000 AFIX 0 C4 1 0.476489 0.400675 0.867383 11.00000 0.01196 0.01348 = 0.00996 0.00109 -0.00125 0.00017 AFIX 23 H4A 2 0.414057 0.345005 0.877948 11.00000 -1.20000 H4B 2 0.528555 0.417062 0.943654 11.00000 -1.20000 AFIX 0 C5 1 0.222040 0.487187 0.889933 11.00000 0.01324 0.01579 = 0.01127 -0.00350 0.00356 0.00100 AFIX 23 H5A 2 0.182466 0.550061 0.882427 11.00000 -1.20000 H5B 2 0.244820 0.474385 0.973924 11.00000 -1.20000 AFIX 0 C6 1 0.095906 0.420178 0.839560 11.00000 0.01198 0.01424 = 0.01256 0.00053 0.00333 0.00000 AFIX 23 H6A 2 0.129371 0.356973 0.855433 11.00000 -1.20000 H6B 2 -0.005084 0.430563 0.876452 11.00000 -1.20000 AFIX 0 C7 1 -0.011845 0.363127 0.639926 11.00000 0.00880 0.01934 = 0.01989 -0.00414 -0.00064 -0.00134 AFIX 23 H7A 2 -0.072023 0.391159 0.573174 11.00000 -1.20000 H7B 2 -0.087202 0.332949 0.690217 11.00000 -1.20000 AFIX 0 C8 1 0.103545 0.292029 0.593951 11.00000 0.01275 0.01257 = 0.01485 -0.00187 0.00149 -0.00419 AFIX 23 H8A 2 0.148843 0.255387 0.659710 11.00000 -1.20000 H8B 2 0.047498 0.250837 0.537885 11.00000 -1.20000 AFIX 0 N8 4 0.632593 0.624224 0.834236 11.00000 0.02112 0.02082 = 0.02228 -0.00518 0.00790 -0.00308 N9 4 0.740199 0.609014 0.773464 11.00000 0.01675 0.00780 = 0.01194 0.00093 -0.00313 -0.00105 N10 4 0.849405 0.593884 0.712838 11.00000 0.01818 0.01890 = 0.01667 0.00030 0.00272 0.00476 HKLF 4 REM REM wR2 = 0.0547, GooF = S = 1.076, Restrained GooF = 1.076 for all data REM R1 = 0.0220 for 3049 Fo > 4sig(Fo) and 0.0268 for all 3376 data REM 172 parameters refined using 0 restraints END WGHT 0.0220 0.8011 REM Highest difference peak 0.388, deepest hole -0.322, 1-sigma level 0.056 Q1 1 0.2984 0.4799 0.8591 11.00000 0.05 0.39 ; _shelx_res_checksum 76703 _shelx_hkl_file ; -1 0 0 -0.01 0.05 -1 0 0 0.10 0.06 -1 0 0 0.00 0.04 1 0 0 0.06 0.03 1 0 0 0.01 0.03 1 0 0 0.04 0.04 -2 0 0 467.66 9.20 -2 0 0 467.63 9.16 -2 0 0 448.04 9.01 -2 0 0 458.09 9.20 2 0 0 457.13 9.17 2 0 0 460.07 9.19 2 0 0 445.53 8.99 -3 0 0 -0.19 0.17 -3 0 0 -0.18 0.14 -3 0 0 0.05 0.18 3 0 0 0.21 0.18 3 0 0 0.03 0.15 3 0 0 0.16 0.21 -4 0 0 40.98 1.85 -4 0 0 43.41 2.10 -4 0 0 41.67 1.94 -4 0 0 40.04 1.91 4 0 0 38.07 1.87 4 0 0 42.12 1.78 -5 0 0 0.23 0.33 5 0 0 0.14 0.37 5 0 0 -0.13 0.25 5 0 0 0.23 0.34 -6 0 0 16.82 1.48 -6 0 0 20.36 1.63 6 0 0 18.31 1.55 6 0 0 18.92 1.59 6 0 0 19.48 1.44 -7 0 0 0.93 0.56 -7 0 0 1.16 0.57 -7 0 0 0.43 0.58 7 0 0 0.22 0.40 7 0 0 0.58 0.53 7 0 0 -0.12 0.52 -8 0 0 3.28 1.11 -8 0 0 3.47 1.03 -8 0 0 1.28 0.65 8 0 0 2.07 1.07 8 0 0 3.28 0.85 -9 0 0 2.18 0.96 -9 0 0 -0.48 0.63 9 0 0 0.97 0.76 9 0 0 0.52 0.68 -10 0 0 95.56 4.49 -10 0 0 95.38 4.76 -10 0 0 103.41 4.99 10 0 0 97.69 4.50 10 0 0 96.40 4.94 -11 0 0 1.52 1.80 -11 0 0 0.19 0.89 -11 0 0 -1.64 0.88 11 0 0 0.18 1.10 11 0 0 -0.44 1.12 11 -1 0 10.08 1.83 -11 1 0 7.79 1.74 -11 1 0 9.16 1.69 -11 1 0 15.06 1.88 10 -1 0 2.77 1.12 10 -1 0 1.88 0.82 -10 1 0 0.57 1.16 -10 1 0 -0.09 0.72 -10 1 0 2.21 0.99 9 -1 0 -0.83 0.53 9 -1 0 -1.02 0.67 -9 1 0 -0.41 0.60 -9 1 0 1.08 0.80 -9 1 0 1.11 0.84 8 -1 0 6.10 1.22 8 -1 0 8.64 1.48 -8 1 0 7.64 1.35 -8 1 0 7.51 1.28 -8 1 0 9.29 1.58 7 -1 0 14.32 1.58 7 -1 0 11.48 1.32 -7 1 0 12.15 1.34 -7 1 0 12.17 1.48 6 -1 0 17.29 1.38 6 -1 0 12.29 1.35 6 -1 0 13.32 1.32 -6 1 0 15.58 1.37 -6 1 0 14.83 1.42 5 -1 0 305.86 7.91 5 -1 0 316.52 7.56 5 -1 0 312.49 7.62 -5 1 0 308.10 7.90 -5 1 0 318.47 7.76 4 -1 0 47.89 1.97 4 -1 0 46.09 2.13 4 -1 0 46.84 1.97 -4 1 0 47.55 2.02 -4 1 0 49.34 2.14 -4 1 0 45.11 2.10 3 -1 0 380.44 8.05 3 -1 0 377.82 8.10 3 -1 0 387.42 8.42 -3 1 0 381.14 8.11 -3 1 0 387.49 8.09 -3 1 0 379.93 8.95 -3 1 0 386.06 8.39 2 -1 0 1.16 0.23 2 -1 0 1.57 0.35 2 -1 0 1.41 0.31 2 -1 0 1.04 0.24 -2 1 0 1.70 0.35 -2 1 0 1.55 0.27 -2 1 0 1.18 0.30 -2 1 0 1.43 0.28 -2 -1 0 1.41 0.26 -2 -1 0 1.18 0.25 -2 -1 0 1.22 0.25 -2 -1 0 0.91 0.26 2 1 0 1.40 0.32 2 1 0 1.52 0.29 2 1 0 1.23 0.25 -3 -1 0 383.66 7.99 -3 -1 0 381.75 9.15 -3 -1 0 395.70 8.12 3 1 0 373.77 8.48 3 1 0 385.96 8.02 3 1 0 378.08 8.19 -4 -1 0 48.45 1.97 -4 -1 0 49.61 2.26 -4 -1 0 50.58 2.03 -4 -1 0 48.18 1.91 4 1 0 49.11 3.09 4 1 0 45.03 2.17 4 1 0 47.65 1.91 -5 -1 0 321.71 7.85 -5 -1 0 300.18 7.34 5 1 0 316.21 7.80 5 1 0 307.54 7.38 5 1 0 311.69 8.04 -6 -1 0 14.66 1.25 -6 -1 0 15.22 1.46 6 1 0 13.23 1.33 6 1 0 13.59 1.21 6 1 0 14.84 1.48 -7 -1 0 10.33 1.36 -7 -1 0 12.99 1.45 -7 -1 0 11.58 1.22 7 1 0 11.43 1.43 7 1 0 12.16 1.45 7 1 0 11.01 1.23 -8 -1 0 8.46 1.38 -8 -1 0 7.68 1.46 8 1 0 6.68 1.40 8 1 0 10.83 2.02 8 1 0 7.22 1.13 -9 -1 0 -0.57 0.67 -9 -1 0 -0.56 0.50 -9 -1 0 0.26 0.76 9 1 0 0.70 0.74 9 1 0 1.27 0.70 -10 -1 0 0.64 1.07 -10 -1 0 0.61 0.73 -10 -1 0 1.64 1.03 10 1 0 3.09 0.99 10 1 0 0.76 1.00 -11 -1 0 14.05 2.68 -11 -1 0 11.54 1.86 -11 -1 0 10.02 1.52 11 1 0 11.66 1.85 11 1 0 11.23 2.63 11 -2 0 0.94 1.17 -11 2 0 5.08 1.45 -11 2 0 2.82 1.22 -11 2 0 2.04 1.09 10 -2 0 29.28 2.99 -10 2 0 28.06 2.36 -10 2 0 28.89 2.58 9 -2 0 24.93 2.16 -9 2 0 21.86 2.25 -9 2 0 19.57 2.07 8 -2 0 115.52 4.50 8 -2 0 114.82 4.50 -8 2 0 115.60 4.98 -8 2 0 118.15 4.47 7 -2 0 5.61 1.04 7 -2 0 6.33 1.35 -7 2 0 4.18 0.98 -7 2 0 5.05 0.97 6 -2 0 35.08 1.95 6 -2 0 35.11 2.05 -6 2 0 38.34 2.36 -6 2 0 38.11 2.03 5 -2 0 20.40 1.42 -5 2 0 22.46 1.65 -5 2 0 24.07 1.43 4 -2 0 3.73 0.56 4 -2 0 3.50 0.63 -4 2 0 3.56 0.54 -4 2 0 3.59 0.58 -4 2 0 3.91 0.75 3 -2 0 1.47 0.32 3 -2 0 1.23 0.32 3 -2 0 2.18 0.49 -3 2 0 2.34 0.48 -3 2 0 1.52 0.39 -3 2 0 1.28 0.30 -3 2 0 0.55 0.28 2 -2 0 238.10 5.66 2 -2 0 248.40 5.48 2 -2 0 248.11 4.96 -2 2 0 269.06 5.78 -2 2 0 251.55 5.75 -2 2 0 254.27 5.49 -2 2 0 247.05 4.98 -2 -2 0 250.06 5.28 -2 -2 0 246.19 5.29 -2 -2 0 255.98 5.27 -2 -2 0 248.16 5.82 2 2 0 249.95 5.83 2 2 0 249.42 5.33 2 2 0 242.01 5.27 -3 -2 0 2.37 0.41 -3 -2 0 1.39 0.36 -3 -2 0 1.25 0.31 -3 -2 0 1.49 0.32 3 2 0 1.99 0.38 3 2 0 1.12 0.31 -4 -2 0 5.09 0.57 -4 -2 0 3.00 0.55 4 2 0 3.10 0.73 4 2 0 3.43 0.74 4 2 0 3.71 0.60 -5 -2 0 21.97 1.38 5 2 0 20.79 1.46 5 2 0 20.10 1.63 5 2 0 22.65 1.40 -6 -2 0 35.05 1.95 -6 -2 0 35.75 2.15 6 2 0 32.72 2.28 6 2 0 33.83 2.08 6 2 0 34.86 1.93 -7 -2 0 5.88 1.04 -7 -2 0 3.98 1.08 -7 -2 0 4.30 0.97 7 2 0 6.12 1.21 7 2 0 4.48 1.03 7 2 0 4.12 0.88 -8 -2 0 114.76 5.02 -8 -2 0 110.84 4.35 8 2 0 116.69 4.37 8 2 0 109.53 6.75 8 2 0 112.13 5.02 -9 -2 0 26.10 2.42 -9 -2 0 23.23 1.99 -9 -2 0 24.81 2.31 9 2 0 23.49 2.01 9 2 0 22.32 2.19 9 2 0 22.93 2.42 -10 -2 0 29.89 2.62 -10 -2 0 25.59 2.19 -10 -2 0 22.93 2.56 10 2 0 28.32 2.41 10 2 0 22.61 2.73 -11 -2 0 5.26 1.33 -11 -2 0 1.51 0.96 -11 -2 0 4.29 1.36 11 2 0 4.09 1.50 11 -3 0 6.85 1.61 -11 3 0 6.67 1.24 -11 3 0 4.95 1.32 -11 3 0 8.05 1.85 10 -3 0 1.22 1.19 -10 3 0 1.39 0.78 -10 3 0 0.79 1.06 -10 3 0 0.86 0.71 9 -3 0 2.41 1.02 -9 3 0 2.47 0.73 -9 3 0 4.13 1.18 8 -3 0 1.54 0.73 8 -3 0 1.54 0.85 -8 3 0 2.42 0.98 -8 3 0 2.75 0.75 7 -3 0 3.35 0.89 7 -3 0 2.84 0.75 -7 3 0 3.65 0.83 -7 3 0 3.39 1.06 6 -3 0 92.83 3.25 6 -3 0 94.13 3.61 -6 3 0 92.70 3.18 -6 3 0 95.99 3.97 -6 3 0 89.99 3.23 5 -3 0 28.81 1.75 5 -3 0 28.26 1.46 -5 3 0 27.91 1.42 -5 3 0 27.53 1.87 4 -3 0 257.80 5.67 4 -3 0 248.21 6.28 -4 3 0 258.53 6.69 -4 3 0 251.38 5.61 -4 3 0 255.08 5.69 3 -3 0 124.27 3.79 3 -3 0 126.41 3.56 3 -3 0 126.48 2.88 -3 3 0 125.47 3.79 -3 3 0 125.64 2.84 -3 3 0 118.44 3.78 -3 3 0 124.54 3.52 -3 3 0 125.83 2.89 2 -3 0 4.69 0.51 2 -3 0 5.11 0.61 -2 3 0 4.45 0.18 -2 3 0 4.14 0.54 -2 3 0 4.37 0.66 -2 3 0 3.80 0.18 1 -3 0 4.71 0.23 1 -3 0 5.19 0.50 1 -3 0 4.62 0.42 -1 3 0 4.86 0.43 -1 3 0 5.15 0.49 -1 3 0 4.73 0.22 0 -3 0 0.21 0.13 0 -3 0 0.11 0.10 0 -3 0 0.38 0.15 0 3 0 0.05 0.09 0 3 0 0.01 0.09 0 3 0 0.00 0.07 -1 -3 0 4.93 0.41 -1 -3 0 4.98 0.50 -1 -3 0 5.52 0.44 1 3 0 4.60 0.51 1 3 0 4.97 0.41 1 3 0 4.25 0.37 -2 -3 0 4.06 0.42 -2 -3 0 4.27 0.41 2 3 0 3.68 0.41 2 3 0 3.60 0.61 2 3 0 4.29 0.44 -3 -3 0 118.78 3.86 -3 -3 0 123.98 3.29 -3 -3 0 121.23 3.34 -3 -3 0 121.18 3.30 3 3 0 120.57 3.27 3 3 0 124.72 3.39 3 3 0 122.96 3.92 -4 -3 0 247.88 5.95 -4 -3 0 249.19 5.89 4 3 0 252.70 6.18 4 3 0 249.05 6.83 -5 -3 0 27.10 1.53 5 3 0 26.02 1.65 5 3 0 25.73 1.94 5 3 0 25.36 1.51 -6 -3 0 98.81 3.47 6 3 0 89.16 3.62 6 3 0 92.55 3.39 6 3 0 92.45 4.12 -7 -3 0 3.87 1.06 -7 -3 0 4.38 1.07 -7 -3 0 4.43 1.14 7 3 0 2.77 0.91 7 3 0 3.03 1.02 7 3 0 3.04 0.84 -8 -3 0 2.11 0.80 -8 -3 0 0.75 0.86 -8 -3 0 1.72 0.66 8 3 0 2.05 0.92 8 3 0 1.00 0.79 -9 -3 0 -0.51 0.60 -9 -3 0 1.21 0.98 -9 -3 0 0.45 0.66 9 3 0 0.96 0.93 9 3 0 3.50 1.14 -10 -3 0 0.57 0.99 -10 -3 0 2.72 0.99 -10 -3 0 3.06 1.10 10 3 0 2.12 1.31 10 3 0 2.22 1.56 -11 -3 0 4.66 1.48 -11 -3 0 5.45 1.66 -11 -3 0 4.20 1.55 10 -4 0 0.53 0.79 -10 4 0 2.03 0.96 9 -4 0 77.50 3.97 -9 4 0 80.17 4.33 -9 4 0 76.89 3.30 8 -4 0 6.98 1.35 -8 4 0 6.70 1.50 -8 4 0 6.42 1.01 7 -4 0 64.43 3.20 -7 4 0 64.34 2.61 -7 4 0 68.55 3.57 6 -4 0 0.00 0.32 6 -4 0 -0.31 0.35 -6 4 0 1.80 0.44 -6 4 0 0.09 0.32 -6 4 0 1.23 0.63 5 -4 0 0.58 0.43 5 -4 0 0.86 0.32 -5 4 0 1.11 0.34 -5 4 0 0.79 0.55 -5 4 0 0.94 0.33 4 -4 0 45.55 2.09 -4 4 0 43.70 1.39 -4 4 0 45.42 1.46 -4 4 0 42.53 2.24 3 -4 0 85.35 2.88 -3 4 0 88.07 1.89 -3 4 0 87.02 1.85 -3 4 0 93.22 3.19 2 -4 0 2.37 0.54 2 -4 0 3.10 0.55 -2 4 0 3.01 0.67 -2 4 0 3.13 0.49 1 -4 0 651.19 12.21 1 -4 0 641.83 13.14 -1 4 0 677.58 12.22 -1 4 0 649.70 13.07 -1 4 0 655.54 12.88 0 -4 0 421.07 8.53 0 -4 0 417.92 8.53 0 -4 0 429.19 8.69 0 4 0 430.32 8.60 0 4 0 401.36 8.49 0 4 0 432.14 8.55 -1 -4 0 655.20 12.66 -1 -4 0 665.89 13.15 1 4 0 641.32 12.64 1 4 0 628.38 12.64 1 4 0 659.73 13.14 -2 -4 0 2.32 0.50 -2 -4 0 2.97 0.45 -2 -4 0 2.52 0.42 2 4 0 3.71 0.41 2 4 0 2.38 0.42 -3 -4 0 89.18 2.71 -3 -4 0 89.45 2.63 -3 -4 0 84.11 2.69 3 4 0 89.80 3.35 3 4 0 91.77 2.80 3 4 0 88.07 2.71 -4 -4 0 44.33 1.83 -4 -4 0 42.62 1.86 4 4 0 45.18 2.01 4 4 0 43.39 2.42 -5 -4 0 0.30 0.32 5 4 0 0.73 0.60 5 4 0 0.34 0.37 -6 -4 0 0.18 0.34 6 4 0 0.18 0.40 6 4 0 0.38 0.62 -7 -4 0 66.92 3.11 -7 -4 0 66.96 3.75 7 4 0 67.74 3.79 7 4 0 65.78 3.28 -8 -4 0 6.44 1.20 -8 -4 0 4.32 1.26 8 4 0 6.94 1.51 -9 -4 0 87.48 3.95 -9 -4 0 82.80 4.64 -9 -4 0 84.65 4.24 9 4 0 72.69 4.06 9 4 0 75.17 4.52 -10 -4 0 1.15 0.84 -10 -4 0 0.59 1.17 10 4 0 0.52 1.05 10 4 0 -0.33 0.89 10 -5 0 2.16 1.17 -10 5 0 2.02 0.94 -10 5 0 2.96 1.10 9 -5 0 10.46 1.71 -9 5 0 11.07 1.26 -9 5 0 8.94 1.81 8 -5 0 11.29 1.65 -8 5 0 12.11 1.96 -8 5 0 11.24 1.07 7 -5 0 71.01 3.43 -7 5 0 71.19 2.57 -7 5 0 68.79 3.66 6 -5 0 146.97 5.12 -6 5 0 143.95 3.71 -6 5 0 148.83 5.38 -6 5 0 144.07 3.79 5 -5 0 127.31 4.34 -5 5 0 132.83 4.73 -5 5 0 128.37 3.12 -5 5 0 128.13 3.05 4 -5 0 324.75 7.98 -4 5 0 331.87 6.23 -4 5 0 331.00 8.38 -4 5 0 322.52 6.18 3 -5 0 39.97 1.88 -3 5 0 36.52 1.96 2 -5 0 58.58 2.47 2 -5 0 58.62 2.17 -2 5 0 55.00 2.15 -2 5 0 55.74 2.30 1 -5 0 20.03 0.82 1 -5 0 18.12 1.17 -1 5 0 20.13 0.81 -1 5 0 20.17 1.11 0 -5 0 0.49 0.23 0 -5 0 0.44 0.22 0 -5 0 -0.01 0.19 0 5 0 0.37 0.19 0 5 0 0.40 0.20 0 5 0 0.22 0.20 -1 -5 0 18.88 1.03 -1 -5 0 18.85 1.07 1 5 0 20.07 1.22 1 5 0 20.14 1.05 1 5 0 20.43 1.05 -2 -5 0 55.89 2.42 -2 -5 0 58.46 1.98 -2 -5 0 59.21 2.06 2 5 0 57.41 2.02 2 5 0 54.41 1.98 2 5 0 57.26 2.46 -3 -5 0 38.08 1.68 -3 -5 0 39.22 1.63 3 5 0 37.76 1.71 3 5 0 37.99 2.14 -4 -5 0 331.01 7.66 4 5 0 333.21 7.84 4 5 0 329.37 8.78 -5 -5 0 129.19 4.04 5 5 0 132.09 4.28 5 5 0 130.30 5.03 -6 -5 0 148.04 4.67 6 5 0 147.18 4.92 6 5 0 145.56 5.71 -7 -5 0 67.42 3.81 -7 -5 0 66.58 3.07 7 5 0 68.12 3.96 7 5 0 64.71 3.26 -8 -5 0 10.99 1.38 -8 -5 0 10.27 1.81 8 5 0 10.34 1.86 8 5 0 12.23 1.89 -9 -5 0 14.95 1.63 -9 -5 0 9.07 1.91 -9 -5 0 11.99 1.90 9 5 0 9.71 2.00 9 5 0 14.21 1.79 -10 -5 0 2.57 1.34 -10 -5 0 6.29 1.33 10 5 0 3.00 1.34 10 5 0 2.33 1.45 10 -6 0 33.53 2.85 -10 6 0 35.95 3.00 9 -6 0 49.25 3.27 -9 6 0 47.38 2.04 -9 6 0 54.29 3.63 8 -6 0 79.28 3.92 -8 6 0 77.96 4.14 -8 6 0 69.91 2.85 -8 6 0 67.22 2.35 7 -6 0 23.42 2.01 -7 6 0 28.44 2.39 -7 6 0 25.01 1.14 -7 6 0 26.16 1.23 6 -6 0 45.64 2.62 -6 6 0 46.07 2.83 -6 6 0 45.48 1.40 -6 6 0 43.43 1.34 5 -6 0 -0.05 0.42 -5 6 0 0.01 0.39 4 -6 0 10.74 1.11 -4 6 0 9.83 1.17 3 -6 0 36.91 1.91 -3 6 0 41.10 2.17 2 -6 0 3.81 0.64 -2 6 0 3.26 0.62 1 -6 0 170.31 4.45 1 -6 0 163.78 3.88 -1 6 0 174.08 4.61 -1 6 0 169.46 3.88 0 -6 0 585.01 12.24 0 -6 0 592.12 12.00 0 -6 0 589.33 12.03 0 6 0 595.80 12.07 0 6 0 570.91 11.96 0 6 0 591.99 11.99 -1 -6 0 171.56 4.35 -1 -6 0 165.23 4.64 -1 -6 0 167.41 4.37 1 6 0 171.81 4.32 1 6 0 163.50 4.29 -2 -6 0 2.61 0.46 -2 -6 0 2.82 0.53 2 6 0 3.17 0.70 2 6 0 2.43 0.51 -3 -6 0 39.20 1.80 3 6 0 38.44 1.81 3 6 0 38.79 2.25 -4 -6 0 14.34 1.11 4 6 0 14.19 1.45 4 6 0 12.86 1.13 -5 -6 0 0.36 0.37 5 6 0 -0.39 0.36 5 6 0 -0.09 0.36 -6 -6 0 46.02 2.38 6 6 0 45.85 2.53 6 6 0 44.77 3.08 -7 -6 0 30.02 1.97 -7 -6 0 23.72 2.38 7 6 0 28.66 2.09 7 6 0 25.10 2.50 -8 -6 0 72.30 3.43 -8 -6 0 72.82 4.30 8 6 0 69.88 3.67 8 6 0 78.59 4.52 -9 -6 0 54.58 3.48 -9 -6 0 47.38 2.90 9 6 0 57.33 6.30 9 6 0 53.12 3.45 -10 -6 0 32.85 3.30 -10 -6 0 32.16 2.71 -10 -6 0 32.29 2.56 10 6 0 36.28 2.94 10 6 0 33.48 3.38 10 -7 0 1.70 1.24 -10 7 0 3.43 1.27 9 -7 0 0.39 0.84 -9 7 0 0.43 0.88 8 -7 0 1.64 0.84 -8 7 0 0.17 0.67 -8 7 0 2.25 0.29 7 -7 0 14.43 1.64 -7 7 0 13.11 1.63 6 -7 0 2.00 0.78 -6 7 0 1.31 0.76 5 -7 0 461.24 11.11 -5 7 0 453.24 11.51 4 -7 0 28.86 1.89 -4 7 0 33.12 2.17 3 -7 0 89.79 3.30 -3 7 0 84.55 3.42 2 -7 0 62.71 1.54 2 -7 0 63.01 2.52 2 -7 0 64.66 1.50 -2 7 0 57.85 2.58 1 -7 0 2.25 0.53 1 -7 0 2.48 0.44 -1 7 0 2.65 0.45 -1 7 0 2.31 0.57 0 -7 0 0.36 0.28 0 7 0 0.36 0.24 0 7 0 0.13 0.23 -1 -7 0 2.22 0.49 -1 -7 0 1.88 0.53 1 7 0 3.31 0.59 1 7 0 1.56 0.48 -2 -7 0 62.05 2.38 2 7 0 58.54 2.74 2 7 0 62.74 2.37 -3 -7 0 93.07 3.18 3 7 0 93.75 3.87 3 7 0 95.68 3.23 -4 -7 0 30.19 1.72 4 7 0 29.10 1.75 4 7 0 29.96 2.26 -5 -7 0 458.80 10.60 5 7 0 462.63 10.88 5 7 0 463.81 13.48 6 7 0 0.93 0.63 6 7 0 0.83 0.58 -7 -7 0 11.83 1.37 -7 -7 0 13.74 1.90 7 7 0 14.17 1.56 7 7 0 13.20 2.18 -8 -7 0 3.37 1.03 -8 -7 0 1.77 1.06 8 7 0 0.51 0.73 8 7 0 0.31 0.91 -9 -7 0 1.48 1.00 -9 -7 0 -0.50 0.62 9 7 0 1.04 0.85 9 7 0 0.50 1.08 -10 -7 0 -1.55 1.16 -10 -7 0 2.22 1.00 -10 -7 0 3.08 1.14 10 7 0 2.34 1.19 10 7 0 3.00 1.45 10 -8 0 48.34 3.59 -10 8 0 55.42 3.84 9 -8 0 2.46 1.19 -9 8 0 4.42 1.49 8 -8 0 212.88 7.32 -8 8 0 196.14 7.49 7 -8 0 1.31 0.76 -7 8 0 2.97 1.18 6 -8 0 20.59 1.90 -6 8 0 21.91 2.03 5 -8 0 2.34 0.76 4 -8 0 5.08 0.97 -4 8 0 5.74 1.10 3 -8 0 39.27 2.16 -3 8 0 35.54 2.19 2 -8 0 228.08 6.07 2 -8 0 222.04 4.69 2 -8 0 230.25 4.62 -2 8 0 214.90 6.17 1 -8 0 0.30 0.27 1 -8 0 -0.06 0.23 1 -8 0 0.49 0.35 -1 8 0 -0.02 0.20 -1 8 0 0.15 0.25 0 -8 0 108.69 3.51 0 -8 0 115.46 3.65 0 8 0 113.29 3.60 -1 -8 0 0.72 0.40 1 8 0 -0.19 0.27 1 8 0 0.81 0.37 -2 -8 0 227.35 5.92 2 8 0 226.72 6.57 2 8 0 228.38 5.89 -3 -8 0 38.54 1.99 3 8 0 37.76 2.42 3 8 0 40.41 2.03 -4 -8 0 6.88 1.01 4 8 0 5.82 0.96 4 8 0 6.09 1.25 -5 -8 0 0.35 0.45 5 8 0 2.11 0.72 5 8 0 0.70 0.73 -6 -8 0 19.11 1.62 6 8 0 20.64 1.84 6 8 0 19.84 2.20 -7 -8 0 2.50 0.79 -7 -8 0 2.12 0.88 7 8 0 3.69 1.66 7 8 0 0.98 1.01 -8 -8 0 214.34 6.82 -8 -8 0 205.44 8.18 8 8 0 220.07 8.51 8 8 0 216.95 7.28 -9 -8 0 0.30 0.84 -9 -8 0 0.78 1.01 9 8 0 3.60 1.06 9 8 0 1.39 1.27 -10 -8 0 57.80 3.46 -10 -8 0 51.07 4.12 -10 -8 0 49.10 3.58 10 8 0 47.72 3.66 10 8 0 52.92 4.35 9 -9 0 16.62 2.07 -9 9 0 14.25 2.29 8 -9 0 9.82 1.87 -8 9 0 10.61 1.94 7 -9 0 49.91 3.13 -7 9 0 52.73 3.41 6 -9 0 112.73 4.73 -6 9 0 116.21 5.06 5 -9 0 171.55 5.79 -5 9 0 165.92 6.04 4 -9 0 52.95 2.77 -4 9 0 53.08 2.94 3 -9 0 269.08 7.34 -3 9 0 273.19 7.63 2 -9 0 6.24 0.49 2 -9 0 5.42 0.89 2 -9 0 5.32 0.52 -2 9 0 6.15 1.05 1 -9 0 15.63 1.31 1 -9 0 13.67 0.99 1 -9 0 16.16 1.28 -1 9 0 14.80 1.30 -1 9 0 15.56 1.04 0 -9 0 0.72 0.44 0 -9 0 0.68 0.35 0 9 0 0.27 0.36 0 9 0 0.77 0.35 -1 -9 0 14.96 1.21 1 9 0 15.75 1.38 1 9 0 17.13 1.27 -2 -9 0 5.48 0.87 2 9 0 6.87 0.83 2 9 0 9.51 1.18 -3 -9 0 274.94 7.06 3 9 0 269.27 7.99 3 9 0 264.13 6.98 -4 -9 0 51.01 2.53 4 9 0 52.57 3.27 4 9 0 52.16 2.58 -5 -9 0 169.90 5.35 5 9 0 163.70 5.43 5 9 0 169.50 6.55 -6 -9 0 114.17 4.32 6 9 0 116.72 5.53 6 9 0 113.35 4.53 -7 -9 0 51.43 2.90 -7 -9 0 46.73 3.58 7 9 0 50.97 3.08 7 9 0 47.42 3.67 -8 -9 0 6.61 1.20 -8 -9 0 6.18 1.60 8 9 0 8.72 1.56 8 9 0 9.53 2.08 -9 -9 0 13.17 2.41 -9 -9 0 13.25 2.18 9 9 0 14.28 2.25 9 9 0 10.26 2.36 9 -10 0 64.23 4.06 -9 10 0 68.14 4.32 8 -10 0 97.23 4.82 -8 10 0 93.12 4.97 7 -10 0 30.45 2.53 -7 10 0 34.47 2.76 6 -10 0 33.14 2.51 -6 10 0 28.73 2.52 5 -10 0 22.79 1.98 -5 10 0 21.30 2.07 4 -10 0 4.44 1.01 -4 10 0 4.70 1.16 3 -10 0 13.87 1.37 -3 10 0 15.25 1.51 2 -10 0 60.62 1.98 2 -10 0 64.53 1.91 2 -10 0 62.83 2.91 -2 10 0 62.10 2.99 1 -10 0 58.87 2.34 1 -10 0 65.31 2.37 1 -10 0 61.34 2.81 -1 10 0 63.04 2.37 -1 10 0 60.98 2.82 0 -10 0 36.50 2.06 0 -10 0 34.69 1.90 0 10 0 31.51 1.91 0 10 0 32.87 1.91 -1 -10 0 60.11 2.69 1 10 0 61.52 2.91 1 10 0 58.16 2.62 -2 -10 0 61.90 2.78 2 10 0 60.70 3.14 2 10 0 61.70 2.73 -3 -10 0 18.33 1.50 3 10 0 15.40 1.69 3 10 0 15.15 1.37 -4 -10 0 5.97 1.06 4 10 0 5.75 1.23 4 10 0 5.24 1.02 -5 -10 0 20.76 1.73 5 10 0 19.42 2.20 5 10 0 21.70 1.82 -6 -10 0 31.92 2.86 -6 -10 0 33.16 2.24 6 10 0 31.37 2.34 6 10 0 33.20 3.02 -7 -10 0 33.13 2.33 -7 -10 0 31.05 2.97 7 10 0 32.07 2.52 7 10 0 30.56 3.03 -8 -10 0 89.03 4.20 -8 -10 0 97.83 5.62 8 10 0 87.88 5.36 8 10 0 99.34 4.67 -9 -10 0 60.95 3.59 -9 -10 0 66.28 4.81 9 10 0 60.41 4.65 9 10 0 63.65 3.82 9 -11 0 2.43 1.24 -9 11 0 0.60 1.23 8 -11 0 8.42 1.65 -8 11 0 9.39 1.90 7 -11 0 3.97 2.11 -7 11 0 5.34 1.73 6 -11 0 63.80 3.63 -6 11 0 70.40 3.97 5 -11 0 24.83 2.18 -5 11 0 27.95 2.40 4 -11 0 80.29 3.77 -4 11 0 79.00 3.91 3 -11 0 90.84 3.88 -3 11 0 89.47 3.97 2 -11 0 7.55 0.66 2 -11 0 6.84 0.71 2 -11 0 8.30 1.28 -2 11 0 8.93 1.15 1 -11 0 35.58 1.74 1 -11 0 30.38 2.42 1 -11 0 32.46 1.77 -1 11 0 32.49 1.71 -1 11 0 37.70 3.22 0 -11 0 -0.06 0.41 0 -11 0 0.45 0.39 0 11 0 0.70 0.41 0 11 0 0.05 0.45 -1 -11 0 36.74 2.17 1 11 0 34.87 2.08 1 11 0 32.42 2.16 2 11 0 8.75 1.11 2 11 0 6.61 1.24 -3 -11 0 91.42 3.67 3 11 0 87.12 3.59 3 11 0 89.06 4.27 -4 -11 0 81.04 3.53 4 11 0 85.93 4.40 4 11 0 84.87 3.80 -5 -11 0 23.09 1.92 -5 -11 0 27.27 2.53 5 11 0 27.20 2.11 5 11 0 28.97 2.60 -6 -11 0 71.35 4.43 -6 -11 0 67.99 3.46 6 11 0 67.06 3.49 6 11 0 76.10 4.61 -7 -11 0 3.93 1.54 -7 -11 0 4.53 1.10 7 11 0 4.08 1.55 7 11 0 4.31 1.21 -8 -11 0 7.37 1.99 8 11 0 6.57 1.65 8 11 0 8.17 2.13 -9 -11 0 2.12 0.94 -9 -11 0 1.27 0.99 9 11 0 3.61 1.73 9 11 0 3.97 1.45 8 -12 0 9.28 1.89 -8 12 0 12.29 2.22 7 -12 0 22.94 2.40 -7 12 0 24.91 2.57 6 -12 0 -0.10 0.73 -6 12 0 1.07 0.82 5 -12 0 -0.49 0.58 -5 12 0 0.40 0.79 4 -12 0 0.20 0.46 -4 12 0 0.58 0.65 3 -12 0 5.19 1.07 -3 12 0 5.37 1.20 2 -12 0 0.61 0.45 2 -12 0 1.73 0.69 2 -12 0 0.96 0.33 -2 12 0 0.49 0.56 1 -12 0 80.83 3.58 1 -12 0 79.91 2.93 -1 12 0 80.08 3.53 -1 12 0 77.25 2.96 0 -12 0 54.07 2.83 0 -12 0 52.60 2.62 0 12 0 53.24 2.63 0 12 0 55.22 2.82 -1 -12 0 76.35 3.43 -1 -12 0 78.65 3.58 1 12 0 82.89 3.69 1 12 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10.06 1.29 -2 -13 0 37.78 2.65 -2 -13 0 33.74 2.27 2 13 0 34.90 2.55 2 13 0 33.07 2.22 -3 -13 0 6.22 1.20 -3 -13 0 5.72 1.25 3 13 0 5.77 1.41 3 13 0 8.54 1.42 -4 -13 0 122.24 5.69 -4 -13 0 137.30 5.08 4 13 0 130.83 5.90 4 13 0 135.61 5.11 -5 -13 0 24.37 2.63 -5 -13 0 22.02 2.01 5 13 0 27.69 2.68 5 13 0 24.57 2.10 -6 -13 0 37.87 2.63 -6 -13 0 32.90 3.11 6 13 0 31.57 3.24 6 13 0 34.25 2.67 -7 -13 0 0.64 1.23 -7 -13 0 0.06 0.67 7 13 0 -0.69 0.74 -8 -13 0 1.82 1.53 -8 -13 0 1.90 1.15 8 13 0 0.13 1.47 8 13 0 4.23 1.68 7 -14 0 18.24 2.25 -7 14 0 19.97 2.47 6 -14 0 8.42 1.72 -6 14 0 6.31 1.46 5 -14 0 15.82 2.23 -5 14 0 11.28 1.87 4 -14 0 1.98 0.92 -4 14 0 1.21 0.96 3 -14 0 1.99 0.94 -3 14 0 1.84 0.96 2 -14 0 26.98 2.21 2 -14 0 24.57 1.59 -2 14 0 28.51 2.26 1 -14 0 2.18 0.89 1 -14 0 -0.87 0.47 -1 14 0 0.18 0.48 -1 14 0 0.33 0.50 0 -14 0 173.26 5.52 0 -14 0 165.34 5.90 0 14 0 162.72 5.52 0 14 0 169.92 5.84 -1 -14 0 0.62 0.63 -1 -14 0 0.69 0.65 1 14 0 0.62 0.57 1 14 0 0.40 0.64 -2 -14 0 32.33 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8.33 1.98 -8 -10 4 8.50 1.26 -8 -10 4 12.91 2.28 7 10 -4 6.63 1.74 -7 -10 4 6.46 1.66 -7 -10 4 4.71 0.96 6 10 -4 1.46 1.04 -6 -10 4 2.78 0.70 -6 -10 4 2.03 1.01 5 10 -4 30.82 2.52 -5 -10 4 30.31 2.56 -5 -10 4 33.38 1.95 4 10 -4 23.26 2.13 -4 -10 4 18.12 1.95 -4 -10 4 22.36 1.52 3 10 -4 179.97 6.15 -3 -10 4 187.44 6.20 -3 -10 4 182.93 5.18 2 10 -4 40.01 2.44 -2 -10 4 41.85 2.08 -2 -10 4 40.46 2.44 1 10 -4 99.31 3.94 -1 -10 4 101.94 3.82 -1 -10 4 104.58 3.59 0 10 -4 34.95 2.15 0 -10 4 39.33 2.09 0 -10 4 35.02 1.97 -1 10 -4 15.12 1.42 1 -10 4 15.90 1.24 1 -10 4 16.17 1.41 -2 10 -4 27.18 1.92 2 -10 4 27.49 1.54 2 -10 4 26.97 1.67 2 -10 4 28.22 2.02 -3 10 -4 6.81 1.21 3 -10 4 8.24 0.87 3 -10 4 9.40 1.39 -4 10 -4 50.96 2.79 4 -10 4 46.80 1.68 4 -10 4 48.65 2.85 4 -10 4 46.35 1.66 -5 10 -4 19.53 1.88 5 -10 4 23.34 2.13 -6 10 -4 100.32 4.40 6 -10 4 95.58 4.62 -7 10 -4 40.25 2.78 7 -10 4 36.91 3.03 -8 10 -4 24.65 2.77 8 -10 4 20.32 2.45 9 9 -4 41.17 3.52 -9 -9 4 44.54 2.54 -9 -9 4 39.62 3.61 8 9 -4 14.10 2.52 -8 -9 4 12.56 2.25 -8 -9 4 15.06 1.38 7 9 -4 198.35 7.75 -7 -9 4 208.43 5.88 -7 -9 4 212.18 7.86 6 9 -4 60.45 3.80 -6 -9 4 63.01 2.67 -6 -9 4 61.89 3.76 5 9 -4 37.34 2.72 -5 -9 4 37.89 2.78 -5 -9 4 36.82 1.92 4 9 -4 45.46 2.87 -4 -9 4 46.31 2.09 -4 -9 4 42.79 2.79 3 9 -4 165.59 5.72 -3 -9 4 177.78 4.81 2 9 -4 2.39 0.77 -2 -9 4 1.50 0.67 -2 -9 4 2.40 0.57 1 9 -4 9.62 1.14 -1 -9 4 10.48 0.98 -1 -9 4 10.13 1.10 0 9 -4 0.79 0.49 0 -9 4 0.29 0.33 0 -9 4 0.42 0.36 -1 9 -4 57.01 2.68 1 -9 4 55.86 2.58 1 -9 4 60.55 2.44 -2 9 -4 22.08 1.44 -2 9 -4 23.13 1.66 2 -9 4 26.68 1.48 2 -9 4 24.17 1.52 2 -9 4 23.41 1.69 -3 9 -4 146.80 4.50 3 -9 4 152.53 4.12 3 -9 4 155.01 5.17 -4 9 -4 25.29 1.84 -4 9 -4 24.97 1.26 4 -9 4 26.13 1.27 4 -9 4 23.94 1.25 4 -9 4 24.76 1.95 -5 9 -4 3.99 0.53 -5 9 -4 6.09 1.15 5 -9 4 5.01 0.52 5 -9 4 6.52 0.55 5 -9 4 5.68 1.22 -6 9 -4 26.18 2.13 6 -9 4 23.39 2.20 -7 9 -4 5.90 1.20 7 -9 4 5.32 1.46 -8 9 -4 5.50 1.38 8 -9 4 6.13 1.49 -9 9 -4 9.41 1.76 9 -9 4 8.50 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33.16 1.71 0 -6 4 33.96 1.56 -1 6 -4 145.86 4.22 -1 6 -4 142.99 4.15 1 -6 4 155.35 4.20 1 -6 4 144.30 4.16 -2 6 -4 23.21 1.42 -2 6 -4 23.64 1.27 2 -6 4 23.23 1.35 2 -6 4 23.70 1.52 -3 6 -4 5.70 0.76 -3 6 -4 6.85 0.70 3 -6 4 6.11 0.74 3 -6 4 5.29 0.90 -4 6 -4 18.10 1.09 -4 6 -4 17.38 1.34 4 -6 4 18.39 1.25 4 -6 4 17.52 1.53 -5 6 -4 19.31 1.53 -5 6 -4 16.55 1.08 5 -6 4 18.96 1.72 -6 6 -4 43.25 2.40 -6 6 -4 37.47 1.78 6 -6 4 41.14 2.68 6 -6 4 41.53 2.06 -7 6 -4 102.84 4.20 7 -6 4 106.87 4.81 7 -6 4 107.75 3.77 -8 6 -4 42.20 2.76 8 -6 4 44.60 2.44 -9 6 -4 8.65 1.10 -9 6 -4 6.93 1.27 9 -6 4 6.58 1.62 9 -6 4 4.25 1.18 -10 6 -4 19.11 2.12 10 -6 4 15.61 2.43 10 5 -4 1.39 1.05 -10 -5 4 5.85 1.05 -10 -5 4 2.50 1.24 -10 -5 4 4.89 1.28 9 5 -4 7.13 1.81 -9 -5 4 6.74 1.16 8 5 -4 108.71 5.48 -8 -5 4 117.47 3.86 -8 -5 4 118.52 5.38 7 5 -4 1.01 0.83 -7 -5 4 0.45 0.45 -7 -5 4 0.23 0.67 6 5 -4 178.20 6.46 -6 -5 4 170.47 4.50 -6 -5 4 172.59 6.13 5 5 -4 50.19 2.95 -5 -5 4 50.83 1.87 -5 -5 4 50.48 1.97 4 5 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1.47 -10 -4 4 1.32 0.94 -10 -4 4 4.24 0.90 -10 -4 4 1.02 1.04 9 4 -4 52.17 3.87 -9 -4 4 54.57 2.68 -9 -4 4 55.09 3.68 8 4 -4 -0.52 0.87 -8 -4 4 0.26 0.43 -8 -4 4 1.45 0.90 7 4 -4 7.77 1.64 -7 -4 4 9.43 0.92 -7 -4 4 7.57 1.42 6 4 -4 76.92 3.96 -6 -4 4 79.60 2.59 -6 -4 4 77.34 3.73 5 4 -4 140.79 5.27 -5 -4 4 145.14 3.78 -5 -4 4 143.32 3.61 -5 -4 4 140.26 5.02 4 4 -4 7.52 1.27 -4 -4 4 8.51 0.64 -4 -4 4 9.44 0.62 -4 -4 4 9.91 1.11 3 4 -4 517.93 11.94 3 4 -4 509.59 10.06 -3 -4 4 526.46 11.78 -3 -4 4 531.82 10.04 -3 -4 4 513.26 10.09 2 4 -4 0.27 0.27 2 4 -4 0.23 0.16 -2 -4 4 0.32 0.14 -2 -4 4 0.28 0.35 1 4 -4 473.26 9.58 1 4 -4 485.09 10.62 -1 -4 4 496.58 9.64 -1 -4 4 504.57 10.73 0 4 -4 0.16 0.18 0 4 -4 0.51 0.27 0 4 -4 -0.04 0.20 0 -4 4 0.13 0.25 0 -4 4 0.21 0.26 0 -4 4 -0.22 0.11 -1 4 -4 191.25 4.89 -1 4 -4 201.56 4.81 -1 4 -4 188.32 4.75 1 -4 4 193.79 4.80 1 -4 4 184.45 4.85 1 -4 4 199.47 5.51 -2 4 -4 289.83 6.70 -2 4 -4 296.67 6.64 2 -4 4 299.39 6.95 2 -4 4 296.54 7.02 2 -4 4 285.53 6.90 -3 4 -4 5.25 0.65 -3 4 -4 4.23 0.66 3 -4 4 3.98 0.76 -4 4 -4 2.77 0.52 -4 4 -4 2.85 0.56 4 -4 4 1.92 0.60 4 -4 4 2.01 0.60 -5 4 -4 171.24 4.88 5 -4 4 170.69 5.11 -6 4 -4 -0.36 0.39 6 -4 4 0.20 0.36 6 -4 4 0.64 0.57 -7 4 -4 64.55 2.99 7 -4 4 67.11 3.21 7 -4 4 70.86 3.70 -8 4 -4 0.47 0.73 8 -4 4 -0.65 0.65 8 -4 4 1.18 0.74 -9 4 -4 8.46 1.51 9 -4 4 7.09 1.46 9 -4 4 8.18 1.70 -10 4 -4 3.05 1.10 -10 4 -4 6.98 1.16 -10 4 -4 2.70 1.12 10 -4 4 3.49 1.51 10 -4 4 6.29 1.31 10 3 -4 6.26 1.90 -10 -3 4 6.18 1.36 -10 -3 4 4.17 1.03 -10 -3 4 5.68 1.67 9 3 -4 5.14 1.53 -9 -3 4 3.18 1.05 -9 -3 4 2.90 1.37 -9 -3 4 4.41 1.02 8 3 -4 50.93 3.54 -8 -3 4 50.30 2.32 -8 -3 4 54.34 3.32 7 3 -4 13.52 1.70 -7 -3 4 14.02 1.10 -7 -3 4 16.45 1.77 6 3 -4 57.96 3.37 -6 -3 4 58.72 2.12 -6 -3 4 64.82 3.88 5 3 -4 37.65 2.47 -5 -3 4 39.62 1.77 -5 -3 4 38.50 1.46 -5 -3 4 41.18 2.42 4 3 -4 7.41 1.19 -4 -3 4 8.91 1.06 -4 -3 4 8.90 0.56 -4 -3 4 8.80 0.60 3 3 -4 0.14 0.26 -3 -3 4 0.28 0.13 -3 -3 4 0.27 0.29 -3 -3 4 0.30 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2 10 12 18.89 3.38 2 -11 -12 13.43 1.99 -2 11 12 12.07 2.10 -2 11 12 16.22 2.70 -1 11 12 9.21 1.67 -1 11 12 9.81 2.13 0 -11 -12 15.55 2.29 0 11 12 11.84 1.68 0 11 12 19.03 2.96 -1 -11 -12 2.43 1.24 1 11 12 3.17 1.70 2 9 -13 26.93 2.73 -2 -9 13 27.73 2.94 1 9 -13 3.88 1.10 -1 -9 13 0.61 1.13 0 9 -13 41.06 3.34 0 -9 13 49.99 3.91 -1 9 -13 10.81 1.83 1 -9 13 11.39 1.37 1 -9 13 7.75 1.97 3 8 -13 94.54 5.63 -3 -8 13 91.79 5.51 2 8 -13 0.77 0.73 -2 -8 13 -0.46 1.14 1 8 -13 29.23 2.70 -1 -8 13 36.59 3.30 0 8 -13 1.55 1.02 0 -8 13 -0.64 0.99 -1 8 -13 0.48 1.00 -1 8 -13 -1.21 0.70 1 -8 13 2.01 0.72 1 -8 13 -0.60 1.06 -2 8 -13 1.34 1.00 -2 8 -13 0.83 0.73 2 -8 13 3.68 0.94 2 -8 13 1.80 1.40 4 7 -13 1.28 1.39 -4 -7 13 1.84 1.38 3 7 -13 11.12 2.22 -3 -7 13 9.51 2.12 2 7 -13 62.31 4.07 -2 -7 13 58.64 4.20 1 7 -13 37.78 3.11 -1 -7 13 34.27 3.32 0 7 -13 43.99 2.52 0 7 -13 58.50 3.58 0 -7 13 49.10 3.94 0 -7 13 46.16 2.56 -1 7 -13 1.19 0.75 -1 7 -13 1.84 0.82 1 -7 13 1.90 0.66 1 -7 13 1.12 0.94 -2 7 -13 101.34 4.14 -2 7 -13 99.93 4.55 2 -7 13 87.68 3.94 2 -7 13 102.05 5.66 -3 7 -13 -1.21 0.78 -3 7 -13 0.86 0.82 3 -7 13 -0.57 0.67 3 -7 13 0.27 1.25 4 6 -13 38.39 3.60 -4 -6 13 38.79 3.60 3 6 -13 25.13 2.89 -3 -6 13 28.68 3.12 2 6 -13 17.02 1.92 -2 -6 13 9.31 1.98 1 6 -13 16.10 1.96 -1 -6 13 11.18 2.19 0 6 -13 27.89 2.59 0 6 -13 26.62 1.74 0 -6 13 29.19 3.10 -1 6 -13 1.17 0.83 -1 6 -13 3.34 1.00 1 -6 13 2.63 0.71 1 -6 13 5.30 1.54 -2 6 -13 28.25 2.34 -2 6 -13 23.09 2.05 2 -6 13 25.50 2.00 2 -6 13 26.74 3.06 -3 6 -13 28.51 2.07 -3 6 -13 25.01 2.14 3 -6 13 25.81 3.08 3 -6 13 24.29 2.16 5 5 -13 0.85 1.29 -5 -5 13 0.47 1.16 4 5 -13 2.34 1.55 -4 -5 13 2.35 1.48 3 5 -13 71.58 4.55 -3 -5 13 66.89 4.66 2 5 -13 11.10 2.00 -2 -5 13 8.45 2.01 1 5 -13 104.83 5.21 -1 -5 13 106.67 5.80 0 5 -13 -1.59 0.56 0 5 -13 2.08 0.86 0 -5 13 0.12 0.86 -1 5 -13 48.86 3.15 1 -5 13 48.69 3.91 -2 5 -13 -1.03 0.72 -2 5 -13 0.01 0.82 2 -5 13 0.79 0.78 2 -5 13 0.56 1.12 -3 5 -13 3.21 1.07 -3 5 -13 5.56 1.12 3 -5 13 4.08 1.08 3 -5 13 6.97 1.87 -4 5 -13 6.02 1.46 4 -5 13 13.81 2.59 4 -5 13 6.06 1.31 5 4 -13 1.81 1.06 -5 -4 13 0.54 1.12 4 4 -13 45.81 3.94 -4 -4 13 52.95 4.09 3 4 -13 26.53 2.65 -3 -4 13 23.99 2.89 2 4 -13 16.43 2.02 -2 -4 13 17.85 2.37 1 4 -13 -0.66 0.81 -1 -4 13 -1.24 0.80 0 4 -13 2.05 0.88 0 4 -13 -0.57 0.51 0 -4 13 -0.91 0.77 -1 4 -13 1.20 0.84 -1 4 -13 -0.84 0.69 1 -4 13 1.26 1.14 -2 4 -13 60.58 3.03 -2 4 -13 58.62 3.19 2 -4 13 59.27 4.36 -3 4 -13 -0.55 0.81 -3 4 -13 -0.51 0.70 3 -4 13 0.78 1.28 3 -4 13 1.23 0.85 -4 4 -13 27.39 2.93 4 -4 13 26.79 3.28 4 -4 13 35.91 2.78 5 3 -13 4.33 1.39 -5 -3 13 0.49 1.00 4 3 -13 1.95 1.16 -4 -3 13 1.77 1.19 3 3 -13 27.43 3.22 -3 -3 13 25.19 2.80 2 3 -13 54.91 3.77 -2 -3 13 53.93 4.12 1 3 -13 38.36 3.02 -1 -3 13 39.37 3.54 0 3 -13 30.80 1.77 0 3 -13 31.68 2.54 0 -3 13 30.88 3.21 -1 3 -13 48.60 2.96 -1 3 -13 45.04 2.48 1 -3 13 42.59 3.75 -2 3 -13 15.16 1.70 -2 3 -13 21.26 1.81 2 -3 13 16.34 2.69 -3 3 -13 20.85 1.63 -3 3 -13 19.94 1.95 3 -3 13 19.07 3.03 4 -3 13 7.03 2.01 5 2 -13 32.69 3.32 -5 -2 13 34.57 3.44 4 2 -13 59.66 4.34 -4 -2 13 56.42 4.29 3 2 -13 8.37 1.56 -3 -2 13 5.33 1.66 2 2 -13 8.41 1.68 -2 -2 13 4.90 1.59 1 2 -13 6.71 1.17 1 2 -13 9.03 1.79 -1 -2 13 6.39 1.85 0 2 -13 -0.81 0.50 0 2 -13 0.55 0.90 0 -2 13 1.34 1.20 -1 2 -13 12.43 2.15 -1 2 -13 12.13 1.43 1 -2 13 12.34 2.41 -2 2 -13 72.48 3.29 -2 2 -13 70.01 3.40 2 -2 13 66.35 4.66 -3 2 -13 25.46 2.25 3 -2 13 26.93 3.20 4 -2 13 15.40 2.93 -6 -1 13 42.55 4.31 5 1 -13 5.59 1.88 -5 -1 13 4.49 1.61 4 1 -13 3.93 1.24 -4 -1 13 1.83 1.37 3 1 -13 3.25 0.99 -3 -1 13 0.10 1.03 2 1 -13 25.28 2.59 -2 -1 13 27.41 2.94 1 1 -13 -0.58 0.87 -1 -1 13 -0.74 0.99 0 1 -13 56.42 2.42 0 1 -13 54.24 3.22 0 -1 13 59.09 4.40 -1 1 -13 8.74 1.42 1 -1 13 5.92 1.85 -2 1 -13 29.23 1.99 -2 1 -13 28.18 2.12 2 -1 13 26.90 3.06 -3 1 -13 0.14 0.84 3 -1 13 1.65 1.20 4 -1 13 5.17 1.79 -5 1 -13 11.98 2.07 5 -1 13 13.33 2.78 -6 0 13 -0.22 1.34 5 0 -13 57.81 4.51 -5 0 13 57.47 4.71 -5 0 13 56.98 4.36 -4 0 13 0.69 0.87 -4 0 13 -0.07 1.04 3 0 -13 51.85 3.71 -3 0 13 57.28 4.19 2 0 -13 -0.49 0.86 -2 0 13 0.70 1.07 1 0 -13 1.26 0.98 1 0 -13 0.71 0.55 -1 0 13 1.30 1.13 0 0 -13 1.87 0.77 0 0 -13 1.40 0.61 0 0 13 -0.43 0.94 -1 0 -13 39.29 2.49 -1 0 -13 46.21 2.89 1 0 13 45.87 3.97 -2 0 -13 -0.09 0.73 -2 0 -13 -0.42 0.58 2 0 13 0.74 1.18 2 0 13 -0.61 0.62 -3 0 -13 47.70 2.90 3 0 13 51.56 4.23 4 0 13 -0.10 1.21 -5 0 -13 31.94 2.78 5 0 13 18.15 3.31 -6 1 13 43.72 4.42 5 -1 -13 7.99 1.85 -5 1 13 10.45 2.07 -5 1 13 3.43 1.66 4 -1 -13 4.92 1.19 -4 1 13 -0.06 1.12 -4 1 13 2.31 1.35 3 -1 -13 1.97 1.18 -3 1 13 0.75 1.15 -3 1 13 0.09 0.89 2 -1 -13 22.53 2.58 -2 1 13 26.14 2.68 -2 1 13 27.83 2.97 1 -1 -13 0.20 0.60 1 -1 -13 0.45 0.83 -1 1 13 1.48 0.93 -1 1 13 1.87 1.07 0 -1 -13 58.06 2.65 0 1 13 57.12 4.39 -1 -1 -13 10.00 1.27 -1 -1 -13 8.92 1.38 1 1 13 10.41 2.30 1 1 13 7.31 1.35 -2 -1 -13 28.29 2.23 2 1 13 26.63 3.20 2 1 13 22.77 1.63 -3 -1 -13 0.84 0.90 3 1 13 -1.49 1.11 -4 -1 -13 8.93 1.53 4 1 13 6.06 2.03 -5 -1 -13 11.76 1.94 5 1 13 12.40 2.54 5 -2 -13 34.77 3.35 -5 2 13 34.57 3.52 -5 2 13 34.05 3.38 4 -2 -13 61.47 4.56 -4 2 13 51.86 4.07 -4 2 13 56.68 4.43 3 -2 -13 2.70 1.24 -3 2 13 8.31 2.01 -3 2 13 3.46 1.31 2 -2 -13 6.43 1.64 -2 2 13 8.24 1.95 -2 2 13 6.24 1.62 1 -2 -13 11.16 1.82 1 -2 -13 9.57 1.15 -1 2 13 6.00 1.44 -1 2 13 7.23 1.93 0 -2 -13 -1.37 0.78 0 -2 -13 0.30 0.60 0 2 13 -1.20 0.74 0 2 13 -0.77 0.54 -1 -2 -13 10.71 1.53 -1 -2 -13 15.81 1.44 1 2 13 10.34 1.41 1 2 13 15.01 2.66 -2 -2 -13 74.82 3.64 2 2 13 64.77 4.80 -3 -2 -13 20.12 2.00 3 2 13 21.94 3.40 -4 -2 -13 13.42 1.97 4 2 13 12.28 2.59 5 -3 -13 3.42 1.21 -5 3 13 0.97 1.28 -5 3 13 0.66 1.26 4 -3 -13 1.90 1.10 -4 3 13 1.66 1.18 -4 3 13 -1.26 1.01 3 -3 -13 23.29 2.64 -3 3 13 22.60 2.91 -3 3 13 21.69 2.46 2 -3 -13 48.93 3.45 2 -3 -13 58.23 2.17 -2 3 13 54.62 3.64 -2 3 13 47.53 4.05 1 -3 -13 37.70 2.04 1 -3 -13 36.35 2.86 -1 3 13 35.82 2.89 -1 3 13 34.60 3.45 0 -3 -13 35.25 2.44 0 -3 -13 30.97 2.53 0 3 13 35.36 2.51 0 3 13 30.18 3.34 -1 -3 -13 46.23 2.77 1 3 13 46.41 2.47 1 3 13 54.95 4.34 -2 -3 -13 17.95 1.86 2 3 13 17.09 2.94 -3 -3 -13 21.82 2.26 3 3 13 16.14 3.06 -4 -3 -13 9.38 1.73 4 3 13 9.66 2.43 5 -4 -13 1.93 1.21 -5 4 13 -0.73 1.06 -5 4 13 0.57 1.46 4 -4 -13 44.24 3.73 -4 4 13 45.50 3.92 -4 4 13 49.20 3.95 3 -4 -13 28.14 2.61 -3 4 13 23.01 2.60 -3 4 13 27.38 3.00 2 -4 -13 13.31 1.31 2 -4 -13 14.85 1.90 -2 4 13 16.91 2.09 -2 4 13 15.12 2.57 1 -4 -13 0.91 0.69 -1 4 13 0.11 0.88 -1 4 13 0.92 1.17 0 -4 -13 -0.73 0.67 0 4 13 -0.88 0.86 -1 -4 -13 1.69 0.92 1 4 13 1.26 0.77 1 4 13 0.97 1.23 -2 -4 -13 57.53 3.40 2 4 13 61.01 4.74 -3 -4 -13 -0.84 0.91 3 4 13 1.49 1.31 -4 -4 -13 26.56 2.56 4 4 13 25.91 3.58 -5 5 13 -0.17 1.31 -5 5 13 3.23 1.43 -4 5 13 4.62 1.68 -4 5 13 3.87 1.34 -3 5 13 64.51 4.23 -3 5 13 65.29 4.68 2 -5 -13 11.58 1.35 -2 5 13 9.20 1.84 -2 5 13 8.29 2.04 -1 5 13 101.92 4.70 -1 5 13 107.54 6.12 0 -5 -13 -1.45 0.68 0 5 13 0.80 1.18 0 5 13 0.96 0.97 -1 -5 -13 51.51 3.07 1 5 13 47.83 4.25 -2 -5 -13 0.92 0.92 2 5 13 -1.25 1.19 -3 -5 -13 7.89 1.77 3 5 13 1.67 1.32 -4 -5 -13 12.96 2.00 4 5 13 8.94 2.45 -4 6 13 34.16 3.30 -4 6 13 44.09 3.75 -3 6 13 30.95 2.98 -3 6 13 23.30 3.09 2 -6 -13 11.23 1.46 -2 6 13 10.30 1.93 -2 6 13 12.23 2.52 1 -6 -13 10.04 1.53 -1 6 13 9.14 2.24 -1 6 13 10.65 1.82 0 -6 -13 28.73 2.33 0 6 13 33.24 3.54 0 6 13 29.00 2.19 -1 -6 -13 2.39 1.07 1 6 13 2.54 1.35 -2 -6 -13 26.37 2.34 2 6 13 27.63 3.40 -3 -6 -13 24.11 2.62 3 6 13 25.22 3.95 -4 7 13 0.59 1.09 -4 7 13 4.89 1.40 3 -7 -13 9.15 1.76 -3 7 13 6.90 2.06 -3 7 13 3.63 1.53 2 -7 -13 61.44 3.03 -2 7 13 64.75 4.82 -2 7 13 61.70 3.81 1 -7 -13 34.24 2.47 -1 7 13 37.23 3.53 -1 7 13 33.23 2.77 0 -7 -13 53.06 3.04 0 7 13 48.67 4.34 -1 -7 -13 0.28 0.98 1 7 13 2.02 1.32 2 7 13 103.69 6.53 -3 -7 -13 -0.73 1.17 3 7 13 -3.30 1.28 -3 8 13 99.79 7.81 -3 8 13 102.17 5.97 2 -8 -13 -1.03 0.73 -2 8 13 -0.46 0.96 -2 8 13 -2.59 0.97 1 -8 -13 30.89 2.53 -1 8 13 33.48 3.58 -1 8 13 36.27 2.69 0 -8 -13 1.43 1.04 0 8 13 3.16 0.97 0 8 13 1.84 1.40 -1 -8 -13 3.15 1.15 1 8 13 0.36 1.26 -2 -8 -13 2.58 1.25 2 8 13 0.82 1.51 2 -9 -13 25.31 2.26 -2 9 13 27.29 2.66 -2 9 13 30.94 3.19 1 -9 -13 -0.96 0.94 -1 9 13 1.80 1.20 -1 9 13 2.90 1.55 0 -9 -13 41.25 3.11 0 9 13 51.62 4.51 -1 -9 -13 10.93 1.88 1 9 13 10.09 2.55 2 6 -14 81.31 4.90 -2 -6 14 77.72 5.16 1 6 -14 -1.58 0.74 -1 -6 14 -1.20 1.11 0 6 -14 53.55 4.44 0 -6 14 59.44 4.54 -1 6 -14 1.68 0.95 1 -6 14 1.99 1.49 3 5 -14 11.91 2.15 -3 -5 14 6.46 1.91 2 5 -14 22.59 2.76 -2 -5 14 23.88 2.93 1 5 -14 3.68 2.07 -1 -5 14 1.27 1.26 0 5 -14 27.79 2.55 0 -5 14 34.30 3.46 -1 5 -14 10.36 1.93 -1 5 -14 10.95 1.47 1 -5 14 12.18 2.50 -2 5 -14 50.10 3.12 -2 5 -14 50.15 2.89 2 -5 14 56.64 4.54 3 4 -14 70.21 4.66 -3 -4 14 69.30 4.88 2 4 -14 1.23 1.11 -2 -4 14 1.93 1.05 1 4 -14 96.95 5.05 -1 -4 14 92.47 5.67 0 4 -14 11.23 1.87 0 -4 14 9.40 2.11 -1 4 -14 0.89 0.84 1 -4 14 -0.71 1.08 -2 4 -14 25.32 1.99 -2 4 -14 23.77 2.02 2 -4 14 20.57 2.76 4 3 -14 5.31 1.54 -4 -3 14 1.18 1.29 3 3 -14 1.85 1.38 -3 -3 14 0.08 1.17 -2 -3 14 31.00 3.39 1 3 -14 0.92 0.80 -1 -3 14 -0.61 1.10 0 3 -14 54.98 3.48 0 -3 14 47.69 4.04 -1 3 -14 0.50 0.79 -1 3 -14 -0.05 0.80 1 -3 14 -0.78 1.16 -2 3 -14 19.69 1.73 -2 3 -14 22.78 1.87 2 -3 14 22.40 2.98 -3 3 -14 7.19 1.61 3 -3 14 11.04 2.50 4 2 -14 9.34 1.99 -4 -2 14 14.36 2.49 3 2 -14 22.74 2.75 -3 -2 14 26.02 3.08 2 2 -14 15.54 2.45 -2 -2 14 17.32 3.00 1 2 -14 53.41 3.61 -1 -2 14 50.71 4.21 0 2 -14 8.77 1.63 0 -2 14 10.62 2.25 -1 2 -14 3.06 0.78 -1 2 -14 3.18 0.98 1 -2 14 2.39 1.41 -2 2 -14 5.91 1.23 2 -2 14 8.79 2.17 -3 2 -14 1.53 0.88 3 -2 14 3.97 1.63 4 1 -14 12.60 2.16 -4 -1 14 8.63 2.16 3 1 -14 2.52 1.33 -3 -1 14 4.47 1.56 2 1 -14 3.06 1.28 -2 -1 14 1.72 1.35 1 1 -14 38.74 3.05 -1 -1 14 39.75 3.81 0 1 -14 23.51 2.21 0 1 -14 19.22 1.69 0 -1 14 19.05 3.07 -1 1 -14 54.47 3.18 -1 1 -14 50.84 2.71 1 -1 14 49.62 4.33 -2 1 -14 12.22 1.77 2 -1 14 10.32 2.43 -3 1 -14 46.30 3.07 3 -1 14 44.81 4.18 4 0 -14 25.33 2.90 -4 0 14 17.37 3.05 -4 0 14 23.62 2.76 3 0 -14 0.15 0.99 -3 0 14 -1.09 1.00 -3 0 14 1.28 1.16 2 0 -14 36.25 3.24 -2 0 14 39.28 3.76 -2 0 14 33.13 3.17 1 0 -14 2.44 1.21 -1 0 14 -0.07 1.08 -1 0 14 -1.18 0.95 0 0 -14 32.21 2.46 0 0 -14 32.30 1.98 0 0 14 29.05 3.38 0 0 14 30.01 2.65 -1 0 -14 0.42 0.70 -1 0 -14 3.58 1.00 1 0 14 -0.83 0.82 1 0 14 -0.39 0.85 -2 0 -14 31.13 2.35 2 0 14 31.36 3.64 -3 0 -14 -0.21 0.94 3 0 14 -0.57 0.94 4 -1 -14 7.64 1.72 -4 1 14 0.92 1.67 -4 1 14 5.67 1.95 3 -1 -14 2.07 2.22 -3 1 14 4.26 1.62 2 -1 -14 2.37 0.99 -2 1 14 0.14 1.19 -2 1 14 1.67 1.35 1 -1 -14 44.33 3.15 -1 1 14 38.99 3.12 -1 1 14 37.46 3.80 0 -1 -14 19.74 1.91 0 -1 -14 19.91 1.73 0 1 14 20.22 3.20 -1 -1 -14 52.58 2.80 -1 -1 -14 46.73 2.78 1 1 14 47.82 4.28 1 1 14 47.86 2.89 -2 -1 -14 10.26 1.67 2 1 14 7.13 2.17 -3 -1 -14 39.60 2.82 3 1 14 45.59 4.40 4 -2 -14 12.50 2.47 -4 2 14 17.73 2.36 -4 2 14 12.28 2.54 -3 2 14 22.72 4.95 -3 2 14 21.74 3.31 2 -2 -14 12.20 2.05 -2 2 14 19.14 2.26 -2 2 14 16.77 2.85 1 -2 -14 48.71 3.39 -1 2 14 45.01 4.12 -1 2 14 41.31 3.21 0 -2 -14 6.42 1.23 0 -2 -14 9.26 1.48 0 2 14 8.10 1.55 0 2 14 9.91 2.22 -1 -2 -14 0.02 0.81 1 2 14 0.66 0.92 -2 -2 -14 5.34 1.28 2 2 14 6.20 1.92 3 2 14 3.88 1.90 4 -3 -14 3.92 1.16 -4 3 14 0.80 1.19 -4 3 14 3.75 1.56 -3 3 14 3.43 1.50 -3 3 14 0.38 1.26 2 -3 -14 32.26 2.93 -2 3 14 30.89 3.53 -2 3 14 34.91 3.14 1 -3 -14 1.85 0.92 -1 3 14 0.09 0.96 -1 3 14 -0.13 1.13 0 -3 -14 49.18 2.65 0 3 14 50.72 4.43 -1 -3 -14 -1.03 0.84 1 3 14 -1.64 1.11 -2 -3 -14 18.91 2.14 2 3 14 13.23 2.79 -3 -3 -14 8.32 1.73 3 3 14 9.56 2.61 -3 4 14 65.60 4.92 -2 4 14 -0.03 1.11 -2 4 14 0.32 1.24 1 -4 -14 95.88 3.62 -1 4 14 89.75 4.56 -1 4 14 97.23 6.10 0 -4 -14 7.97 1.36 0 4 14 13.05 2.62 -1 -4 -14 -0.54 0.94 1 4 14 0.96 1.32 -2 -4 -14 16.43 2.20 2 4 14 19.04 3.28 -3 5 14 8.26 2.32 -3 5 14 9.75 2.04 -2 5 14 22.17 3.42 -2 5 14 25.51 2.83 1 -5 -14 1.76 1.04 -1 5 14 0.68 1.09 -1 5 14 4.72 1.07 0 -5 -14 35.47 2.32 0 5 14 28.52 2.51 0 5 14 26.21 3.45 -1 -5 -14 9.58 1.67 1 5 14 8.84 2.39 -2 -5 -14 51.61 3.47 2 5 14 52.87 4.64 -2 6 14 70.03 5.19 -2 6 14 72.51 4.42 1 -6 -14 -0.21 0.99 -1 6 14 0.06 1.30 -1 6 14 1.34 1.44 0 -6 -14 60.12 3.39 0 6 14 59.72 4.84 -1 -6 -14 -1.32 0.84 1 6 14 1.13 1.25 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 62851 _olex2_submission_special_instructions 'No special instructions were received' 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 Cu1 Cu 0.30580(2) 0.43782(2) 0.65429(2) 0.00751(5) Uani 1 1 d . . . . . N1 N 0.23267(14) 0.34150(8) 0.53424(10) 0.0107(2) Uani 1 1 d . . . . . H1 H 0.189408 0.371232 0.461064 0.013 Uiso 1 1 calc R U . . . N2 N 0.52201(14) 0.37507(8) 0.65500(10) 0.0095(2) Uani 1 1 d . . . . . H2 H 0.587976 0.405367 0.596654 0.011 Uiso 1 1 calc R U . . . N3 N 0.37041(14) 0.47713(8) 0.82385(10) 0.0102(2) Uani 1 1 d . . . . . H3 H 0.429576 0.535614 0.823704 0.012 Uiso 1 1 calc R U . . . N4 N 0.07702(14) 0.43616(8) 0.70964(11) 0.0115(2) Uani 1 1 d . . . . . H4 H 0.026465 0.496387 0.694170 0.014 Uiso 1 1 calc R U . . . N5 N 0.32035(15) 0.56243(8) 0.55885(11) 0.0138(2) Uani 1 1 d . . . . . N6 N 0.27676(14) 0.63237(8) 0.60346(10) 0.0106(2) Uani 1 1 d . . . . . N7 N 0.23476(18) 0.70138(9) 0.64402(13) 0.0221(3) Uani 1 1 d . . . . . C1 C 0.37147(17) 0.28252(10) 0.50769(13) 0.0125(3) Uani 1 1 d . . . . . H1A H 0.424848 0.307575 0.440000 0.015 Uiso 1 1 calc R U . . . H1B H 0.334783 0.220634 0.487293 0.015 Uiso 1 1 calc R U . . . C2 C 0.48856(17) 0.27866(10) 0.61626(13) 0.0119(3) Uani 1 1 d . . . . . H2A H 0.442215 0.244079 0.680096 0.014 Uiso 1 1 calc R U . . . H2B H 0.587004 0.248355 0.595722 0.014 Uiso 1 1 calc R U . . . C3 C 0.60160(16) 0.38399(10) 0.77557(13) 0.0117(3) Uani 1 1 d . . . . . H3A H 0.676712 0.435141 0.776538 0.014 Uiso 1 1 calc R U . . . H3B H 0.660865 0.327952 0.795395 0.014 Uiso 1 1 calc R U . . . C4 C 0.47649(17) 0.40068(10) 0.86738(12) 0.0119(3) Uani 1 1 d . . . . . H4A H 0.414057 0.345005 0.877948 0.014 Uiso 1 1 calc R U . . . H4B H 0.528555 0.417062 0.943654 0.014 Uiso 1 1 calc R U . . . C5 C 0.22204(17) 0.48719(10) 0.88993(13) 0.0133(3) Uani 1 1 d . . . . . H5A H 0.182466 0.550061 0.882427 0.016 Uiso 1 1 calc R U . . . H5B H 0.244820 0.474385 0.973924 0.016 Uiso 1 1 calc R U . . . C6 C 0.09591(17) 0.42018(10) 0.83956(13) 0.0128(3) Uani 1 1 d . . . . . H6A H 0.129371 0.356973 0.855433 0.015 Uiso 1 1 calc R U . . . H6B H -0.005084 0.430563 0.876452 0.015 Uiso 1 1 calc R U . . . C7 C -0.01184(17) 0.36313(11) 0.63993(14) 0.0161(3) Uani 1 1 d . . . . . H7A H -0.072023 0.391159 0.573174 0.019 Uiso 1 1 calc R U . . . H7B H -0.087202 0.332949 0.690217 0.019 Uiso 1 1 calc R U . . . C8 C 0.10354(17) 0.29203(10) 0.59395(13) 0.0134(3) Uani 1 1 d . . . . . H8A H 0.148843 0.255387 0.659710 0.016 Uiso 1 1 calc R U . . . H8B H 0.047498 0.250837 0.537885 0.016 Uiso 1 1 calc R U . . . N8 N 0.63259(17) 0.62422(10) 0.83424(13) 0.0212(3) Uani 1 1 d . . . . . N9 N 0.74020(15) 0.60901(8) 0.77346(11) 0.0123(2) Uani 1 1 d . . . . . N10 N 0.84940(16) 0.59388(9) 0.71284(12) 0.0179(3) Uani 1 1 d . . . . . 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 Cu1 0.00828(8) 0.00653(8) 0.00772(9) 0.00015(6) 0.00051(6) 0.00062(6) N1 0.0114(5) 0.0107(5) 0.0102(5) 0.0000(4) 0.0008(4) 0.0000(4) N2 0.0113(5) 0.0095(5) 0.0078(5) 0.0012(4) 0.0015(4) 0.0001(4) N3 0.0106(5) 0.0094(5) 0.0106(5) -0.0001(4) 0.0013(4) 0.0001(4) N4 0.0104(5) 0.0111(5) 0.0130(6) -0.0004(4) -0.0001(4) 0.0009(4) N5 0.0209(6) 0.0080(5) 0.0128(6) 0.0012(5) 0.0048(5) 0.0018(5) N6 0.0107(5) 0.0117(6) 0.0094(5) 0.0023(4) 0.0007(4) -0.0015(4) N7 0.0279(7) 0.0135(6) 0.0252(7) -0.0049(5) 0.0052(6) 0.0032(5) C1 0.0143(6) 0.0108(6) 0.0126(7) -0.0028(5) 0.0027(5) 0.0011(5) C2 0.0132(6) 0.0087(6) 0.0140(7) -0.0001(5) 0.0027(5) 0.0026(5) C3 0.0092(6) 0.0135(7) 0.0124(7) 0.0015(5) -0.0006(5) 0.0002(5) C4 0.0120(6) 0.0135(6) 0.0100(6) 0.0011(5) -0.0013(5) 0.0002(5) C5 0.0132(6) 0.0158(7) 0.0113(6) -0.0035(5) 0.0036(5) 0.0010(5) C6 0.0120(6) 0.0142(7) 0.0126(7) 0.0005(5) 0.0033(5) 0.0000(5) C7 0.0088(6) 0.0193(7) 0.0199(8) -0.0041(6) -0.0006(5) -0.0013(5) C8 0.0128(6) 0.0126(7) 0.0148(7) -0.0019(5) 0.0015(5) -0.0042(5) N8 0.0211(7) 0.0208(7) 0.0223(7) -0.0052(5) 0.0079(6) -0.0031(5) N9 0.0168(6) 0.0078(5) 0.0119(6) 0.0009(4) -0.0031(5) -0.0011(5) N10 0.0182(6) 0.0189(6) 0.0167(6) 0.0003(5) 0.0027(5) 0.0048(5) 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' Cu Cu 0.3201 1.2651 '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_ _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 N1 Cu1 N2 86.18(5) . . ? N1 Cu1 N3 151.41(5) . . ? N1 Cu1 N4 86.42(5) . . ? N1 Cu1 N5 106.02(5) . . ? N2 Cu1 N3 85.77(5) . . ? N2 Cu1 N4 147.63(5) . . ? N2 Cu1 N5 108.21(5) . . ? N3 Cu1 N4 85.85(5) . . ? N3 Cu1 N5 102.56(5) . . ? N4 Cu1 N5 104.12(5) . . ? Cu1 N1 H1 110.1 . . ? C1 N1 Cu1 108.57(8) . . ? C1 N1 H1 110.1 . . ? C1 N1 C8 114.06(11) . . ? C8 N1 Cu1 103.62(8) . . ? C8 N1 H1 110.1 . . ? Cu1 N2 H2 109.2 . . ? C2 N2 Cu1 105.40(8) . . ? C2 N2 H2 109.2 . . ? C3 N2 Cu1 108.95(8) . . ? C3 N2 H2 109.2 . . ? C3 N2 C2 114.74(11) . . ? Cu1 N3 H3 110.5 . . ? C4 N3 Cu1 103.07(8) . . ? C4 N3 H3 110.5 . . ? C5 N3 Cu1 107.80(8) . . ? C5 N3 H3 110.5 . . ? C5 N3 C4 114.13(11) . . ? Cu1 N4 H4 109.8 . . ? C6 N4 Cu1 104.28(8) . . ? C6 N4 H4 109.8 . . ? C6 N4 C7 115.67(12) . . ? C7 N4 Cu1 107.38(9) . . ? C7 N4 H4 109.8 . . ? N6 N5 Cu1 119.09(10) . . ? N7 N6 N5 178.27(15) . . ? N1 C1 H1A 109.7 . . ? N1 C1 H1B 109.7 . . ? N1 C1 C2 109.76(11) . . ? H1A C1 H1B 108.2 . . ? C2 C1 H1A 109.7 . . ? C2 C1 H1B 109.7 . . ? N2 C2 C1 107.68(11) . . ? N2 C2 H2A 110.2 . . ? N2 C2 H2B 110.2 . . ? C1 C2 H2A 110.2 . . ? C1 C2 H2B 110.2 . . ? H2A C2 H2B 108.5 . . ? N2 C3 H3A 109.7 . . ? N2 C3 H3B 109.7 . . ? N2 C3 C4 109.81(11) . . ? H3A C3 H3B 108.2 . . ? C4 C3 H3A 109.7 . . ? C4 C3 H3B 109.7 . . ? N3 C4 C3 108.31(11) . . ? N3 C4 H4A 110.0 . . ? N3 C4 H4B 110.0 . . ? C3 C4 H4A 110.0 . . ? C3 C4 H4B 110.0 . . ? H4A C4 H4B 108.4 . . ? N3 C5 H5A 109.8 . . ? N3 C5 H5B 109.8 . . ? N3 C5 C6 109.45(11) . . ? H5A C5 H5B 108.2 . . ? C6 C5 H5A 109.8 . . ? C6 C5 H5B 109.8 . . ? N4 C6 C5 107.78(11) . . ? N4 C6 H6A 110.2 . . ? N4 C6 H6B 110.2 . . ? C5 C6 H6A 110.2 . . ? C5 C6 H6B 110.2 . . ? H6A C6 H6B 108.5 . . ? N4 C7 H7A 109.5 . . ? N4 C7 H7B 109.5 . . ? N4 C7 C8 110.50(11) . . ? H7A C7 H7B 108.1 . . ? C8 C7 H7A 109.5 . . ? C8 C7 H7B 109.5 . . ? N1 C8 C7 108.40(12) . . ? N1 C8 H8A 110.0 . . ? N1 C8 H8B 110.0 . . ? C7 C8 H8A 110.0 . . ? C7 C8 H8B 110.0 . . ? H8A C8 H8B 108.4 . . ? N8 N9 N10 179.53(16) . . ? 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 Cu1 N1 2.0119(12) . ? Cu1 N2 2.0217(12) . ? Cu1 N3 2.0328(12) . ? Cu1 N4 2.0395(12) . ? Cu1 N5 2.1032(12) . ? N1 H1 0.9800 . ? N1 C1 1.4820(17) . ? N1 C8 1.4823(18) . ? N2 H2 0.9800 . ? N2 C2 1.4832(17) . ? N2 C3 1.4832(17) . ? N3 H3 0.9800 . ? N3 C4 1.4848(18) . ? N3 C5 1.4831(18) . ? N4 H4 0.9800 . ? N4 C6 1.4767(18) . ? N4 C7 1.4905(18) . ? N5 N6 1.1937(17) . ? N6 N7 1.1588(18) . ? C1 H1A 0.9700 . ? C1 H1B 0.9700 . ? C1 C2 1.525(2) . ? C2 H2A 0.9700 . ? C2 H2B 0.9700 . ? C3 H3A 0.9700 . ? C3 H3B 0.9700 . ? C3 C4 1.5231(19) . ? C4 H4A 0.9700 . ? C4 H4B 0.9700 . ? C5 H5A 0.9700 . ? C5 H5B 0.9700 . ? C5 C6 1.520(2) . ? C6 H6A 0.9700 . ? C6 H6B 0.9700 . ? C7 H7A 0.9700 . ? C7 H7B 0.9700 . ? C7 C8 1.518(2) . ? C8 H8A 0.9700 . ? C8 H8B 0.9700 . ? N8 N9 1.1760(18) . ? N9 N10 1.1854(18) . ? 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 Cu1 N1 C1 C2 29.23(13) . . . . ? Cu1 N1 C8 C7 49.88(12) . . . . ? Cu1 N2 C2 C1 46.00(12) . . . . ? Cu1 N2 C3 C4 22.52(13) . . . . ? Cu1 N3 C4 C3 50.43(12) . . . . ? Cu1 N3 C5 C6 30.31(13) . . . . ? Cu1 N4 C6 C5 48.39(12) . . . . ? Cu1 N4 C7 C8 23.26(14) . . . . ? N1 C1 C2 N2 -50.96(14) . . . . ? N2 C3 C4 N3 -49.91(15) . . . . ? N3 C5 C6 N4 -53.91(15) . . . . ? N4 C7 C8 N1 -50.07(16) . . . . ? C1 N1 C8 C7 167.72(11) . . . . ? C2 N2 C3 C4 -95.35(14) . . . . ? C3 N2 C2 C1 165.86(11) . . . . ? C4 N3 C5 C6 -83.52(14) . . . . ? C5 N3 C4 C3 167.04(11) . . . . ? C6 N4 C7 C8 -92.66(14) . . . . ? C7 N4 C6 C5 166.06(11) . . . . ? C8 N1 C1 C2 -85.73(14) . . . . ?