#------------------------------------------------------------------------------ #$Date: 2024-09-17 04:16:28 +0300 (Tue, 17 Sep 2024) $ #$Revision: 294772 $ #$URL: file:///home/coder/svn-repositories/cod/cif/3/00/04/3000475.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_3000475 loop_ _publ_author_name 'Deka, Poonam' 'Jaiswal, Shilpi' 'Sarma, Parishmita' 'Bora, Debajit' 'Nakane, Takanori' 'Kawamoto, Akihiro' 'Kurisu, Genji' 'Mahanta, Sanjeev Pran' 'Patra, Abhijit' 'Ichiyanagi, Kouhei' 'Sasaki, Toshiyuki' 'Thakuria, Ranjit' _publ_section_title ; Analysis of Solid-State Emission of the p-Bis(2,2-dicyanovinyl)benzene Analogue through Combined X-ray, Synchrotron, and Microcrystal Electron Diffraction ; _journal_name_full 'Crystal Growth & Design' _journal_page_first 7222 _journal_page_last 7234 _journal_paper_doi 10.1021/acs.cgd.4c00856 _journal_volume 24 _journal_year 2024 _chemical_formula_moiety 'C9 H8 N O2' _chemical_formula_sum 'C9 H8 N O2' _chemical_formula_weight 162.16 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2016/6 _cell_angle_alpha 74.649(7) _cell_angle_beta 84.853(9) _cell_angle_gamma 78.442(7) _cell_formula_units_Z 2 _cell_length_a 4.6343(8) _cell_length_b 7.5342(12) _cell_length_c 12.9284(19) _cell_measurement_reflns_used 2832 _cell_measurement_temperature 296(2) _cell_measurement_theta_max 24.11 _cell_measurement_theta_min 2.85 _cell_volume 426.15(12) _computing_cell_refinement 'Bruker SAINT' _computing_data_collection 'Bruker APEX2' _computing_data_reduction 'Bruker SAINT' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _computing_structure_refinement 'SHELXL-2016/6 (Sheldrick, 2016)' _computing_structure_solution 'SHELXT 2014/4 (Sheldrick, 2014)' _diffrn_ambient_temperature 296(2) _diffrn_measured_fraction_theta_full 0.995 _diffrn_measured_fraction_theta_max 0.982 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0448 _diffrn_reflns_av_unetI/netI 0.0401 _diffrn_reflns_Laue_measured_fraction_full 0.995 _diffrn_reflns_Laue_measured_fraction_max 0.982 _diffrn_reflns_limit_h_max 5 _diffrn_reflns_limit_h_min -5 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_k_min -9 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_number 7282 _diffrn_reflns_point_group_measured_fraction_full 0.995 _diffrn_reflns_point_group_measured_fraction_max 0.982 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 26.700 _diffrn_reflns_theta_min 3.758 _diffrn_source 'fine-focus sealed tube' _exptl_absorpt_coefficient_mu 0.091 _exptl_absorpt_correction_T_max 0.991 _exptl_absorpt_correction_T_min 0.985 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'Bruker AXS SADABS program' _exptl_crystal_colour yellow _exptl_crystal_density_diffrn 1.264 _exptl_crystal_description block _exptl_crystal_F_000 170 _exptl_crystal_size_max 0.210 _exptl_crystal_size_mid 0.130 _exptl_crystal_size_min 0.090 _refine_diff_density_max 0.456 _refine_diff_density_min -0.294 _refine_diff_density_rms 0.101 _refine_ls_extinction_coef 0.37(9) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method 'SHELXL-2016/6 (Sheldrick 2016)' _refine_ls_goodness_of_fit_ref 1.031 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 111 _refine_ls_number_reflns 1774 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.031 _refine_ls_R_factor_all 0.1205 _refine_ls_R_factor_gt 0.0959 _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^)+(0.1960P)^2^+0.0589P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.2574 _refine_ls_wR_factor_ref 0.2851 _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 1176 _reflns_number_total 1774 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file TP-2_SCXRD.cif _cod_data_source_block TP-2 _cod_depositor_comments 'Releasing structure 3000475 into public domain as published material.' _cod_database_code 3000475 _shelx_shelxl_version_number 2016/6 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_min 0.981 _shelx_estimated_absorpt_t_max 0.992 _exptl_absorpt_special_details 'Sheldrick,G.M.,2015,University of gottingen' _shelx_res_file ; TITL triclinic_a.res in P-1 triclinic_a.res created by SHELXL-2016/6 at 15:00:11 on 12-Apr-2023 CELL 0.71073 4.6343 7.5342 12.9284 74.649 84.853 78.442 ZERR 2.000 0.0008 0.0012 0.0019 0.007 0.009 0.007 LATT 1 SFAC C H N O UNIT 18 16 2 4 LIST 6 ! automatically inserted. Change 6 to 4 for CHECKCIF!! L.S. 25 ACTA BOND $H FMAP 2 PLAN 5 SIZE 0.09 0.13 0.21 TEMP 23.000 WGHT 0.196000 0.058900 EXTI 0.366513 FVAR 1.92417 O1 4 0.639320 0.586498 0.355834 11.00000 0.11695 0.08311 = 0.07988 -0.04481 0.02724 -0.06079 N1 3 0.531788 0.156551 0.166713 11.00000 0.16412 0.07575 = 0.06346 -0.03393 0.02910 -0.05186 C1 1 0.343104 0.284016 0.408513 11.00000 0.05241 0.04421 = 0.05257 -0.01992 0.00149 -0.01573 AFIX 43 H1 2 0.348967 0.360339 0.453974 11.00000 -1.20000 AFIX 0 O2 4 0.768247 0.529492 0.197166 11.00000 0.09342 0.05375 = 0.06288 -0.01722 0.01873 -0.03327 C2 1 0.172765 0.136156 0.451816 11.00000 0.04649 0.04301 = 0.04723 -0.01690 -0.00068 -0.01498 C3 1 0.015727 0.138287 0.548982 11.00000 0.06225 0.04755 = 0.05394 -0.02701 0.00491 -0.02057 AFIX 43 H3 2 0.026055 0.231769 0.582497 11.00000 -1.20000 AFIX 0 C4 1 -0.152898 0.006653 0.596235 11.00000 0.05985 0.05399 = 0.05072 -0.02513 0.01073 -0.02125 AFIX 43 H4 2 -0.255246 0.012186 0.660895 11.00000 -1.20000 AFIX 0 C5 1 0.492381 0.329240 0.314965 11.00000 0.05395 0.04155 = 0.05130 -0.01665 0.00013 -0.01336 C6 1 0.640103 0.495624 0.293029 11.00000 0.05896 0.04646 = 0.05799 -0.01743 0.00814 -0.01699 C7 1 0.905396 0.696592 0.164826 11.00000 0.10976 0.05531 = 0.08482 -0.01532 0.01772 -0.03545 AFIX 23 H7A 2 0.756624 0.807918 0.163219 11.00000 -1.20000 H7B 2 1.050133 0.689554 0.216200 11.00000 -1.20000 AFIX 0 C8 1 1.046092 0.707070 0.059705 11.00000 0.16266 0.10291 = 0.08724 -0.00821 0.02973 -0.07015 AFIX 137 H8A 2 1.191522 0.595953 0.061628 11.00000 -1.50000 H8B 2 1.139430 0.814724 0.038697 11.00000 -1.50000 H8C 2 0.900905 0.717502 0.008871 11.00000 -1.50000 AFIX 0 C9 1 0.514738 0.232065 0.232364 11.00000 0.08592 0.04967 = 0.05129 -0.01554 0.01201 -0.02704 HKLF 4 REM triclinic_a.res in P-1 REM R1 = 0.0959 for 1176 Fo > 4sig(Fo) and 0.1205 for all 1774 data REM 111 parameters refined using 0 restraints END WGHT 0.1960 0.0589 REM Highest difference peak 0.456, deepest hole -0.294, 1-sigma level 0.101 Q1 1 0.9947 0.1573 0.1635 11.00000 0.05 0.46 Q2 1 -0.1721 0.4197 0.6408 11.00000 0.05 0.43 Q3 1 0.3934 0.5801 0.3596 11.00000 0.05 0.41 Q4 1 0.9516 0.5789 0.3599 11.00000 0.05 0.37 Q5 1 1.2341 0.5317 0.1968 11.00000 0.05 0.34 ; _shelx_res_checksum 47025 _shelx_hkl_file ; -3 -1 -2 8.60 2.80 3 1 2 3.60 1.80 3 1 2 5.40 1.80 3 1 2 4.90 1.80 -5 -2 -4 6.70 4.20 2 1 2 400.76 18.30 2 1 2 404.26 18.80 2 1 2 381.06 18.50 2 1 2 393.76 18.20 -2 -1 -2 391.46 19.50 -2 -1 -2 391.06 19.30 -1 0 0 127.79 6.40 -4 -1 -2 14.80 4.20 4 1 2 10.40 2.60 4 1 2 12.10 2.90 4 1 2 12.20 3.00 4 2 4 -1.40 1.40 4 2 4 -1.50 1.60 4 2 4 -0.50 2.40 -4 -2 -4 3.30 2.80 1 1 2 1779.72 77.19 1 1 2 1870.81 76.69 -1 -1 -2 1875.11 77.69 -1 -1 -2 1695.13 77.49 -1 -1 -2 1529.15 77.09 -2 0 0 134.09 7.80 -2 0 0 136.69 7.80 -2 0 0 136.89 7.70 -2 0 0 142.69 8.10 2 0 0 139.59 7.60 2 0 0 132.59 8.00 2 0 0 139.19 7.80 2 0 0 140.99 7.80 -5 -1 -2 8.30 3.90 5 1 2 3.30 4.00 3 2 4 21.90 2.40 3 2 4 16.80 3.20 3 2 4 25.60 2.80 -3 -2 -4 26.70 4.60 -3 -2 -4 23.80 4.30 0 1 2 2982.60 124.39 0 1 2 2826.42 121.89 0 -1 -2 2470.65 121.69 -3 0 0 16.30 3.10 -3 0 0 14.20 2.90 -3 0 0 19.60 3.80 3 0 0 21.80 4.10 3 0 0 18.20 3.20 5 3 6 4.90 2.10 -5 -3 -6 8.00 4.60 2 2 4 5.80 1.10 2 2 4 5.30 1.40 2 2 4 3.90 1.10 2 2 4 4.20 2.10 -2 -2 -4 5.40 1.20 -2 -2 -4 5.70 2.00 -2 -2 -4 4.70 2.10 -1 1 2 64.39 5.00 1 -1 -2 78.49 5.20 1 -1 -2 99.79 5.90 1 -1 -2 79.09 3.90 1 -1 -2 82.69 4.50 -4 0 0 2.40 2.10 4 0 0 -0.90 2.70 4 0 0 -0.50 2.20 4 3 6 31.20 3.40 4 3 6 26.40 4.50 -4 -3 -6 30.60 6.00 1 2 4 1389.06 61.69 1 2 4 1362.56 61.79 1 2 4 1335.57 62.29 1 2 4 1405.86 61.49 1 2 4 1361.96 62.29 1 2 4 1379.16 61.49 -1 -2 -4 1419.76 61.49 -1 -2 -4 1357.56 62.29 -1 -2 -4 1339.37 62.39 -1 -2 -4 1464.65 61.69 -1 -2 -4 1468.45 61.29 -2 1 2 187.88 11.00 -2 1 2 197.38 11.00 2 -1 -2 200.08 10.50 2 -1 -2 195.58 9.70 2 -1 -2 200.38 11.10 5 0 0 4.30 3.40 3 3 6 4.50 2.60 3 3 6 5.80 1.60 3 3 6 8.70 1.50 3 3 6 3.50 1.40 -3 -3 -6 1.70 2.80 0 2 4 169.48 9.20 0 2 4 177.58 9.40 0 2 4 186.28 8.80 0 2 4 152.48 8.20 0 -2 -4 163.38 8.90 0 -2 -4 174.68 8.60 0 -2 -4 170.68 8.30 0 -2 -4 168.48 8.30 0 -2 -4 162.18 8.40 -3 1 2 74.89 6.20 -3 1 2 63.19 5.90 3 -1 -2 68.09 6.10 3 -1 -2 68.09 5.70 -5 -4 -8 2.30 3.60 2 3 6 18.40 2.80 2 3 6 22.50 3.60 2 3 6 23.70 2.70 2 3 6 25.80 3.20 2 3 6 25.60 2.90 -2 -3 -6 27.50 4.30 -2 -3 -6 22.00 3.80 -2 -3 -6 28.60 3.00 -1 2 4 0.00 1.50 -1 2 4 0.60 1.40 1 -2 -4 -0.40 1.50 1 -2 -4 -0.80 0.80 1 -2 -4 -0.60 1.30 -4 1 2 3.00 2.60 -4 1 2 -0.30 2.60 4 -1 -2 -2.20 2.00 4 -1 -2 3.40 2.80 4 4 8 77.59 6.60 4 4 8 87.19 7.20 4 4 8 91.89 6.20 -4 -4 -8 79.69 9.90 1 3 6 1072.89 49.90 1 3 6 1032.40 50.59 1 3 6 1091.29 50.09 1 3 6 1109.19 49.50 -1 -3 -6 1100.29 49.60 -1 -3 -6 1082.09 49.90 -1 -3 -6 1113.29 50.29 -1 -3 -6 1108.79 50.39 -1 -3 -6 1135.39 49.70 -1 -3 -6 1178.48 49.40 -2 2 4 150.98 9.60 -2 2 4 139.89 9.30 2 -2 -4 149.19 9.20 2 -2 -4 143.69 8.00 2 -2 -4 129.99 9.10 5 -1 -2 37.10 6.20 3 4 8 -2.10 2.50 3 4 8 5.10 2.20 3 4 8 4.20 1.70 3 4 8 3.60 2.20 3 4 8 2.10 2.50 -3 -4 -8 5.70 1.70 -3 -4 -8 4.20 3.00 0 3 6 148.79 8.70 0 3 6 139.79 7.30 0 3 6 144.89 8.10 0 3 6 125.49 8.60 0 -3 -6 128.29 7.20 0 -3 -6 134.19 7.80 0 -3 -6 135.39 8.40 0 -3 -6 151.48 7.60 0 -3 -6 138.99 7.50 -3 2 4 183.78 12.00 -3 2 4 178.68 12.10 3 -2 -4 172.98 8.90 3 -2 -4 180.98 10.50 3 -2 -4 184.38 11.80 3 -2 -4 180.08 9.30 2 4 8 8.20 2.30 2 4 8 11.50 2.60 2 4 8 3.80 2.00 2 4 8 9.60 3.00 2 4 8 6.80 1.80 -2 -4 -8 9.30 3.00 -2 -4 -8 5.20 2.70 -1 3 6 53.89 5.40 -1 3 6 57.69 5.60 1 -3 -6 60.89 4.40 1 -3 -6 54.59 5.10 1 -3 -6 58.69 4.70 1 -3 -6 62.89 4.00 -4 2 4 0.40 2.60 4 -2 -4 -0.20 2.10 4 -2 -4 -1.70 2.60 -4 -5 -10 6.20 4.50 1 4 8 52.89 4.40 1 4 8 54.29 4.90 1 4 8 55.49 5.50 -1 -4 -8 53.59 4.00 -1 -4 -8 49.20 4.80 -1 -4 -8 50.99 4.30 -1 -4 -8 47.20 4.60 -2 3 6 11.60 3.50 -2 3 6 6.80 3.10 2 -3 -6 10.20 3.20 2 -3 -6 5.00 1.90 -5 2 4 -0.50 3.50 5 -2 -4 2.30 3.00 3 5 10 15.70 3.40 3 5 10 10.80 3.70 3 5 10 9.60 2.50 -3 -5 -10 6.60 3.80 0 4 8 238.28 14.30 0 4 8 249.38 15.10 0 4 8 255.07 12.50 0 4 8 247.38 13.70 0 -4 -8 254.77 14.20 0 -4 -8 272.17 13.00 0 -4 -8 232.48 12.80 0 -4 -8 256.47 13.50 -3 3 6 69.19 7.60 3 -3 -6 75.49 7.30 3 -3 -6 63.19 5.40 2 5 10 14.10 3.30 2 5 10 12.20 4.00 2 5 10 12.30 3.20 -2 -5 -10 16.20 4.30 -2 -5 -10 13.50 4.20 -1 4 8 60.39 6.50 -1 4 8 63.19 7.90 1 -4 -8 55.29 6.80 1 -4 -8 58.59 4.50 1 -4 -8 59.29 5.10 -4 3 6 -3.60 2.60 4 -3 -6 1.30 2.50 4 -3 -6 1.00 1.80 1 5 10 153.08 9.60 1 5 10 152.18 11.30 1 5 10 154.38 10.50 -1 -5 -10 160.08 10.20 -1 -5 -10 144.19 9.30 -1 -5 -10 152.48 10.10 -2 4 8 242.08 16.00 2 -4 -8 246.48 15.10 2 -4 -8 239.38 12.50 2 -4 -8 224.58 13.00 3 6 12 11.20 4.40 -3 -6 -12 19.20 6.00 0 5 10 128.29 9.10 0 5 10 120.39 10.10 0 -5 -10 132.49 9.40 0 -5 -10 110.49 8.30 0 -5 -10 113.69 8.10 -3 4 8 66.29 10.00 3 -4 -8 37.80 4.50 3 -4 -8 48.40 7.00 2 6 12 11.80 4.80 2 6 12 11.40 3.90 -2 -6 -12 15.80 4.90 -1 5 10 251.07 16.80 1 -5 -10 252.57 13.50 1 -5 -10 233.18 14.00 -4 4 8 -2.70 3.40 4 -4 -8 5.30 2.60 1 6 12 9.10 3.80 1 6 12 14.10 4.90 -1 -6 -12 6.00 3.70 -1 -6 -12 18.50 4.80 -2 5 10 23.10 6.30 2 -5 -10 17.20 3.50 0 6 12 7.40 4.00 0 -6 -12 9.80 3.30 0 -6 -12 6.40 3.10 -3 5 10 29.10 7.50 3 -5 -10 29.10 4.60 -1 6 12 0.70 4.00 1 -6 -12 3.60 2.70 2 -6 -12 2.60 2.60 0 -7 -13 2.50 3.10 0 7 13 -1.10 4.00 2 -6 -11 2.10 2.30 -2 6 11 -2.00 3.70 -1 -7 -13 34.00 6.80 1 7 13 22.50 6.40 1 -6 -11 -0.20 1.80 1 -6 -11 2.50 2.50 -1 6 11 0.00 3.40 -2 -7 -13 10.70 4.50 2 7 13 5.30 4.50 3 -5 -9 17.00 3.50 -3 5 9 11.70 5.50 0 -6 -11 0.20 2.30 0 -6 -11 1.20 2.10 0 6 11 0.40 3.20 2 -5 -9 12.50 3.20 2 -5 -9 12.40 3.20 -2 5 9 4.70 4.20 -1 -6 -11 44.10 6.50 -1 -6 -11 38.50 6.20 1 6 11 42.80 7.10 1 6 11 37.30 5.90 4 -4 -7 13.40 3.40 -4 4 7 19.90 6.40 1 -5 -9 117.29 8.40 1 -5 -9 111.69 9.30 1 -5 -9 136.99 8.00 -1 5 9 106.99 9.80 -2 -6 -11 52.79 7.70 2 6 11 46.20 6.10 2 6 11 48.40 7.60 3 -4 -7 60.79 5.50 3 -4 -7 62.89 5.60 -3 4 7 83.89 10.30 0 -5 -9 3.90 2.40 0 -5 -9 14.00 3.70 0 -5 -9 12.00 2.70 0 5 9 4.30 2.80 0 5 9 11.40 3.80 0 5 9 4.40 2.80 -3 -6 -11 4.50 4.00 3 6 11 8.40 3.70 2 -4 -7 139.49 8.10 2 -4 -7 135.99 8.50 2 -4 -7 129.69 9.80 -2 4 7 137.29 10.70 -1 -5 -9 55.89 5.70 -1 -5 -9 57.39 6.30 -1 -5 -9 47.00 4.10 -1 -5 -9 43.10 4.50 1 5 9 50.69 5.50 1 5 9 47.50 4.60 1 5 9 45.10 6.30 -4 -6 -11 3.50 4.20 4 -3 -5 9.10 2.40 4 -3 -5 9.50 3.30 -4 3 5 10.70 4.70 1 -4 -7 10.90 2.10 1 -4 -7 11.20 2.40 1 -4 -7 12.40 3.90 1 -4 -7 12.00 3.20 -1 4 7 11.70 3.60 -1 4 7 14.80 3.80 -2 -5 -9 8.40 3.60 -2 -5 -9 11.40 3.60 2 5 9 10.60 3.10 2 5 9 8.60 3.40 2 5 9 12.70 2.90 3 -3 -5 54.39 7.10 3 -3 -5 39.30 4.90 3 -3 -5 35.50 3.70 -3 3 5 38.80 6.40 0 -4 -7 8.90 1.70 0 -4 -7 10.10 2.50 0 -4 -7 8.20 2.00 0 -4 -7 8.30 2.90 0 -4 -7 7.10 2.00 0 4 7 12.50 3.40 0 4 7 6.30 2.50 0 4 7 9.70 1.90 0 4 7 4.50 2.30 -3 -5 -9 148.49 10.90 3 5 9 124.79 7.90 3 5 9 112.09 9.40 3 5 9 141.69 8.10 5 -2 -3 -1.20 2.70 2 -3 -5 7.70 2.20 2 -3 -5 10.20 3.00 2 -3 -5 10.00 2.10 -2 3 5 8.80 3.20 -2 3 5 11.80 3.30 -1 -4 -7 -0.70 1.50 -1 -4 -7 0.10 2.10 -1 -4 -7 -0.20 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3 5 219.78 11.50 1 3 5 224.98 11.70 1 3 5 235.28 11.10 1 3 5 217.08 12.30 -4 -4 -7 314.87 19.80 4 4 7 324.47 18.00 4 4 7 331.97 16.20 4 -1 -1 38.90 5.70 4 -1 -1 36.10 5.30 -4 1 1 36.20 5.60 -4 1 1 31.30 5.20 1 -2 -3 1.20 1.50 1 -2 -3 3.70 1.20 1 -2 -3 0.50 1.60 1 -2 -3 1.80 1.10 -1 2 3 0.60 1.50 -1 2 3 3.80 1.70 -2 -3 -5 24.50 2.80 -2 -3 -5 22.40 3.50 2 3 5 25.00 2.80 2 3 5 21.30 2.70 2 3 5 22.10 2.70 2 3 5 21.00 2.30 2 3 5 20.00 3.50 -5 -4 -7 16.00 5.40 3 -1 -1 120.19 8.00 3 -1 -1 118.59 8.10 -3 1 1 114.19 7.90 -3 1 1 116.79 8.10 0 -2 -3 431.36 20.90 0 -2 -3 457.75 20.30 0 -2 -3 440.06 20.50 0 2 3 420.76 20.90 0 2 3 445.96 21.10 0 2 3 457.75 20.60 0 2 3 455.35 20.40 -3 -3 -5 19.60 4.00 3 3 5 20.70 2.20 3 3 5 16.30 3.50 3 3 5 19.10 2.30 3 3 5 21.10 2.70 5 0 1 0.60 2.90 2 -1 -1 38.00 2.90 2 -1 -1 41.10 3.80 2 -1 -1 39.10 3.80 -2 1 1 39.30 3.50 -2 1 1 36.40 3.00 -2 1 1 38.70 3.70 -1 -2 -3 31.60 2.70 -1 -2 -3 33.00 2.70 1 2 3 26.70 2.60 1 2 3 30.30 2.50 1 2 3 26.50 2.00 1 2 3 26.00 1.90 1 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5 32.60 6.90 3 8 5 36.20 6.10 2 -6 -1 1.20 2.40 2 -6 -1 1.10 2.10 -2 6 1 0.00 1.60 -2 6 1 1.60 2.30 -1 -7 -3 1.90 2.20 -1 -7 -3 1.70 3.90 1 7 3 3.40 2.40 1 7 3 6.20 4.40 4 8 5 71.59 10.50 4 -5 1 3.90 3.90 1 -6 -1 9.50 2.80 1 -6 -1 9.80 4.20 1 -6 -1 11.60 2.60 -1 6 1 12.40 3.70 -1 6 1 11.70 2.60 -2 -7 -3 97.69 7.90 -2 -7 -3 95.09 8.60 2 7 3 109.19 10.30 2 7 3 99.79 7.80 3 -5 1 15.60 4.60 3 -5 1 19.60 4.50 3 -5 1 10.80 4.80 -3 5 -1 20.00 4.20 0 -6 -1 67.69 5.60 0 -6 -1 74.69 7.70 0 -6 -1 85.19 5.90 0 6 1 77.29 7.70 0 6 1 82.09 5.60 -3 -7 -3 0.40 2.80 -3 -7 -3 0.00 2.90 3 7 3 2.90 2.80 3 7 3 0.80 4.20 2 -5 1 13.50 3.10 2 -5 1 11.00 4.50 2 -5 1 17.80 4.00 -2 5 -1 16.70 4.60 -2 5 -1 18.10 3.60 -2 5 -1 13.70 3.00 -1 -6 -1 190.88 10.50 -1 -6 -1 170.08 9.00 -1 -6 -1 198.88 12.20 1 6 1 168.88 10.40 1 6 1 178.28 11.90 1 6 1 169.88 10.40 1 6 1 183.78 12.30 -4 -7 -3 -1.40 3.00 4 7 3 -4.80 4.10 4 7 3 1.20 3.60 4 -4 3 15.30 4.60 -4 4 -3 27.10 5.50 1 -5 1 9.20 2.60 1 -5 1 15.20 3.20 1 -5 1 8.30 3.80 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0.80 1.00 0 -3 5 0.60 2.20 0 -3 5 1.10 1.10 0 -3 5 0.70 1.60 0 3 -5 -0.90 1.00 0 3 -5 -0.70 2.00 0 3 -5 1.30 1.90 0 3 -5 -2.90 1.80 -3 -4 3 358.06 20.50 -3 -4 3 382.76 19.60 3 4 -3 380.76 21.80 3 4 -3 373.16 19.90 3 4 -3 373.86 17.70 2 -2 7 -0.50 2.00 2 -2 7 1.30 1.70 2 -2 7 1.10 2.60 -2 2 -7 1.30 1.90 -2 2 -7 -0.10 2.20 -1 -3 5 46.20 3.10 -1 -3 5 51.49 5.30 -1 -3 5 49.00 3.60 1 3 -5 49.50 5.10 1 3 -5 39.10 3.40 1 3 -5 47.90 4.20 1 3 -5 50.69 5.40 -4 -4 3 1.70 2.50 4 4 -3 -2.60 2.20 4 4 -3 5.40 3.90 4 -1 9 3.50 3.70 -4 1 -9 10.80 4.80 1 -2 7 79.39 5.60 1 -2 7 82.99 6.10 1 -2 7 82.09 5.60 1 -2 7 83.89 6.20 -1 2 -7 85.29 6.20 -1 2 -7 80.69 6.40 -1 2 -7 78.69 5.80 -2 -3 5 86.29 7.90 -2 -3 5 78.39 5.10 -2 -3 5 83.79 5.70 -2 -3 5 77.49 7.10 2 3 -5 82.09 4.60 2 3 -5 81.99 7.00 2 3 -5 81.49 6.20 2 3 -5 84.19 7.80 2 3 -5 84.69 5.20 -5 -4 3 3.50 3.30 5 4 -3 -2.70 3.30 5 4 -3 -2.90 2.80 3 -1 9 2.00 3.00 3 -1 9 2.80 2.00 -3 1 -9 -0.30 2.70 0 -2 7 18.50 3.90 0 -2 7 14.10 2.70 0 -2 7 18.30 2.00 0 -2 7 10.70 3.00 0 -2 7 13.60 2.00 0 2 -7 17.00 3.00 0 2 -7 12.80 2.30 0 2 -7 15.50 3.30 -3 -3 5 302.57 20.10 -3 -3 5 351.56 17.10 3 3 -5 329.07 19.70 3 3 -5 338.77 18.00 3 3 -5 343.57 16.70 3 3 -5 330.37 20.00 2 -1 9 8.30 2.70 2 -1 9 8.30 3.70 2 -1 9 8.60 3.40 -2 1 -9 11.80 2.70 -2 1 -9 13.60 3.20 -2 1 -9 9.00 3.40 -1 -2 7 103.39 6.70 -1 -2 7 98.19 8.30 1 2 -7 110.29 6.40 1 2 -7 124.99 8.40 1 2 -7 107.49 6.70 1 2 -7 105.49 7.10 -4 -3 5 42.00 5.30 -4 -3 5 46.40 8.30 4 3 -5 48.30 7.90 4 3 -5 36.30 5.30 4 0 11 5.60 4.30 -4 0 -11 -0.90 3.80 1 -1 9 167.58 9.30 1 -1 9 165.88 10.00 1 -1 9 166.38 10.20 1 -1 9 167.28 9.40 -1 1 -9 159.98 9.60 -1 1 -9 169.28 10.10 -1 1 -9 161.58 10.40 -2 -2 7 3.40 2.70 -2 -2 7 0.40 1.80 2 2 -7 -0.40 0.90 2 2 -7 0.60 1.40 2 2 -7 0.60 2.20 2 2 -7 0.90 2.50 2 2 -7 0.30 1.60 5 3 -5 2.50 4.10 5 3 -5 5.00 3.20 3 0 11 0.20 2.00 3 0 11 1.50 3.00 -3 0 -11 -0.50 2.80 0 -1 9 8.80 1.60 0 -1 9 10.70 1.70 0 -1 9 13.30 2.90 0 -1 9 14.90 1.70 0 -1 9 15.30 3.80 0 1 -9 14.60 2.80 0 1 -9 12.30 3.50 0 1 -9 15.80 3.50 0 1 -9 13.20 3.40 -3 -2 7 1.30 3.00 3 2 -7 0.90 1.80 3 2 -7 -1.70 2.10 2 0 11 14.10 3.20 2 0 11 16.70 3.90 2 0 11 16.90 4.30 -2 0 -11 20.70 4.90 -1 -1 9 1.90 2.20 -1 -1 9 0.60 3.10 1 1 -9 5.30 2.10 1 1 -9 1.50 2.50 1 1 -9 2.30 1.30 1 1 -9 4.80 3.00 -4 -2 7 -2.00 3.20 4 2 -7 1.40 2.20 1 0 11 81.19 5.90 1 0 11 75.89 5.60 1 0 11 76.89 6.90 1 0 11 91.99 6.80 -1 0 -11 82.49 6.40 -1 0 -11 70.59 6.60 -1 0 -11 71.29 5.80 -2 -1 9 34.00 5.60 -2 -1 9 36.40 7.10 2 1 -9 33.70 4.20 2 1 -9 28.10 5.60 3 1 13 9.00 4.20 -3 -1 -13 16.70 5.50 -3 -1 -13 6.40 3.90 0 0 11 -0.50 2.20 0 0 11 1.60 2.60 0 0 -11 -1.30 2.00 0 0 -11 -4.00 1.80 0 0 -11 -4.20 2.10 -3 -1 9 3.50 4.10 3 1 -9 4.90 2.40 2 1 13 82.09 7.40 2 1 13 82.49 6.70 -2 -1 -13 86.49 7.40 -2 -1 -13 107.49 11.30 -1 0 11 3.90 3.60 -1 0 11 10.60 3.70 1 0 -11 7.60 3.70 1 0 -11 5.20 1.90 1 0 -11 7.30 2.70 -4 -1 9 19.40 6.10 1 1 13 51.79 6.60 1 1 13 44.70 6.80 -1 -1 -13 54.79 7.40 -2 0 11 10.00 4.30 -2 0 11 9.80 4.30 2 0 -11 11.60 2.90 0 1 13 6.90 3.50 0 1 13 3.10 3.50 0 -1 -13 1.60 2.90 0 -1 -13 2.90 4.00 0 -1 -13 3.90 3.00 -3 0 11 40.40 8.80 -2 -2 -15 33.60 6.90 -1 1 13 1.20 4.10 -1 1 13 1.40 3.50 1 -1 -13 -0.20 2.30 1 2 15 2.80 3.70 -1 -2 -15 5.00 3.90 -2 1 13 4.00 4.60 0 2 15 3.70 4.20 0 -2 -15 2.00 3.30 -3 1 13 4.40 4.70 -1 2 15 -5.60 3.70 0 -9 -6 0.10 2.50 0 9 6 1.40 3.10 2 -8 -4 -0.40 2.60 -2 8 4 -1.90 3.20 -1 -9 -6 -0.90 2.90 1 9 6 3.80 3.90 1 -8 -4 90.79 7.40 1 -8 -4 80.29 7.60 -1 8 4 86.59 8.90 -2 -9 -6 111.39 11.60 2 9 6 81.09 10.70 2 9 6 82.09 8.00 3 -7 -2 -1.10 2.40 0 -8 -4 144.49 9.90 0 8 4 132.69 11.30 0 8 4 153.08 9.10 2 -7 -2 1.40 2.20 2 -7 -2 1.00 2.60 -2 7 2 2.30 3.00 -1 -8 -4 4.20 2.60 1 8 4 -1.30 2.20 1 8 4 1.80 3.90 1 -7 -2 61.09 5.60 1 -7 -2 77.99 6.60 -1 7 2 76.89 7.60 -1 7 2 68.79 5.30 -2 -8 -4 1.80 2.80 2 8 4 6.00 4.90 2 8 4 3.90 2.80 3 -6 0 9.60 3.80 0 -7 -2 363.46 20.10 0 -7 -2 402.36 20.50 0 7 2 395.66 22.60 0 7 2 437.16 20.20 -3 -8 -4 6.00 3.90 3 8 4 11.20 4.40 3 8 4 7.20 5.40 2 -6 0 -3.00 2.30 2 -6 0 -0.80 1.90 -2 6 0 1.80 2.00 -2 6 0 1.80 2.30 -1 -7 -2 76.19 7.70 -1 -7 -2 81.89 6.60 1 7 2 89.89 6.60 1 7 2 81.29 8.90 4 8 4 -5.80 4.30 4 -5 2 -5.40 3.30 1 -6 0 43.10 4.40 1 -6 0 45.80 5.30 1 -6 0 60.49 7.80 -1 6 0 49.20 6.60 -1 6 0 47.70 4.30 -2 -7 -2 63.29 6.20 -2 -7 -2 72.79 7.40 2 7 2 64.59 9.00 2 7 2 54.79 5.70 2 7 2 65.29 6.50 3 -5 2 1.80 4.40 3 -5 2 3.40 3.60 -3 5 -2 9.50 3.40 0 -6 0 221.18 12.20 0 -6 0 245.98 14.50 0 -6 0 220.68 12.10 0 6 0 216.68 12.20 0 6 0 218.78 14.20 -3 -7 -2 3.60 3.10 3 7 2 8.10 3.60 3 7 2 -3.50 3.70 2 -5 2 1.20 2.80 2 -5 2 2.90 2.10 2 -5 2 2.60 3.80 -2 5 -2 8.20 3.50 -2 5 -2 6.30 2.50 -2 5 -2 8.00 2.60 -1 -6 0 242.18 12.70 -1 -6 0 229.78 14.20 1 6 0 223.28 12.90 1 6 0 230.18 14.90 1 6 0 227.68 12.80 -4 -7 -2 3.80 3.70 4 7 2 4.30 5.40 4 7 2 1.50 3.60 4 -4 4 14.00 4.80 -4 4 -4 9.30 4.30 1 -5 2 94.09 6.90 1 -5 2 97.59 6.70 1 -5 2 100.99 8.30 -1 5 -2 102.19 7.80 -1 5 -2 96.99 7.70 -1 5 -2 98.99 6.70 -2 -6 0 42.90 5.30 -2 -6 0 49.50 6.70 2 6 0 56.29 7.90 2 6 0 42.30 4.70 2 6 0 40.50 5.60 3 -4 4 4.80 3.60 3 -4 4 -1.80 3.20 3 -4 4 3.60 2.50 -3 4 -4 2.10 2.80 0 -5 2 -0.70 1.10 0 -5 2 1.70 2.90 0 -5 2 0.70 1.30 0 5 -2 -1.40 2.10 0 5 -2 -0.60 3.10 0 5 -2 1.20 2.00 -3 -6 0 71.69 7.60 -3 -6 0 79.19 7.20 3 6 0 78.59 10.00 3 6 0 85.49 7.40 2 -4 4 3.90 2.10 2 -4 4 1.50 2.90 2 -4 4 0.00 2.80 -2 4 -4 5.10 2.40 -2 4 -4 5.80 1.90 -2 4 -4 3.20 2.60 -1 -5 2 120.59 7.30 -1 -5 2 126.09 9.00 -1 -5 2 126.19 6.20 1 5 -2 116.39 9.20 1 5 -2 106.89 8.50 1 5 -2 126.19 7.60 1 5 -2 128.59 8.10 -4 -6 0 -1.50 2.50 4 6 0 -2.80 2.60 4 6 0 -6.30 3.90 4 -3 6 17.10 4.90 -4 3 -6 33.60 6.50 1 -4 4 232.68 13.60 1 -4 4 249.88 12.90 1 -4 4 238.98 12.80 -1 4 -4 241.98 13.70 -1 4 -4 242.48 13.10 -1 4 -4 224.38 13.10 -2 -5 2 40.90 4.90 -2 -5 2 52.79 7.00 2 5 -2 38.90 3.50 2 5 -2 30.10 5.20 2 5 -2 39.00 5.20 2 5 -2 40.40 6.60 5 6 0 -2.70 4.70 3 -3 6 -0.10 2.80 3 -3 6 -0.50 1.80 -3 3 -6 3.70 3.40 0 -4 4 23.70 3.30 0 -4 4 27.10 2.70 0 -4 4 23.40 2.80 0 -4 4 28.30 4.50 0 4 -4 34.10 5.10 0 4 -4 39.40 5.50 0 4 -4 33.60 4.00 0 4 -4 29.50 3.90 -3 -5 2 59.49 5.90 -3 -5 2 76.59 8.80 3 5 -2 58.99 6.00 3 5 -2 57.69 8.40 2 -3 6 2.50 2.70 2 -3 6 2.90 2.40 2 -3 6 3.30 1.90 -2 3 -6 4.10 1.70 -2 3 -6 0.80 2.40 -2 3 -6 6.20 2.50 -1 -4 4 322.17 17.00 -1 -4 4 282.37 14.50 -1 -4 4 298.57 14.40 1 4 -4 294.07 15.70 1 4 -4 291.27 16.60 1 4 -4 304.07 15.10 1 4 -4 321.77 17.20 -4 -5 2 6.40 3.40 4 5 -2 11.80 5.30 4 5 -2 4.50 3.30 4 -2 8 9.70 4.30 -4 2 -8 7.10 4.60 1 -3 6 7.50 2.20 1 -3 6 14.80 3.50 1 -3 6 13.30 3.00 -1 3 -6 10.90 3.60 -1 3 -6 12.50 3.30 -1 3 -6 17.70 3.70 -2 -4 4 539.25 25.80 -2 -4 4 535.05 26.20 -2 -4 4 552.24 28.20 2 4 -4 564.14 28.00 2 4 -4 539.15 27.10 2 4 -4 539.45 28.70 2 4 -4 578.04 25.60 -5 -5 2 4.10 3.70 5 5 -2 9.00 5.40 5 5 -2 -3.60 3.10 3 -2 8 3.00 3.00 3 -2 8 2.30 2.20 -3 2 -8 1.80 3.30 0 -3 6 319.37 16.50 0 -3 6 280.67 14.50 0 -3 6 301.17 14.20 0 -3 6 312.07 15.10 0 3 -6 304.37 16.20 0 3 -6 298.27 16.30 0 3 -6 286.47 15.10 0 3 -6 293.77 15.70 -3 -4 4 172.48 10.40 3 4 -4 174.58 9.10 3 4 -4 180.48 13.20 3 4 -4 151.08 10.60 2 -2 8 1.40 2.60 2 -2 8 0.10 2.00 2 -2 8 -3.70 1.60 -2 2 -8 -2.50 2.20 -2 2 -8 4.10 2.40 -1 -3 6 182.68 11.10 -1 -3 6 169.78 8.30 -1 -3 6 168.88 11.70 -1 -3 6 174.38 9.20 1 3 -6 177.18 11.30 1 3 -6 132.89 9.50 1 3 -6 167.98 9.20 1 3 -6 171.08 10.80 -4 -4 4 2.50 2.60 4 4 -4 5.30 3.00 4 4 -4 1.40 4.00 4 -1 10 1.40 3.60 -4 1 -10 0.00 3.20 1 -2 8 2.30 2.70 1 -2 8 1.70 1.40 1 -2 8 2.70 1.70 1 -2 8 3.80 2.60 -1 2 -8 -0.60 2.40 -1 2 -8 -1.20 2.10 -1 2 -8 1.80 2.70 -2 -3 6 703.23 33.60 -2 -3 6 792.32 38.20 -2 -3 6 745.63 34.90 2 3 -6 747.73 35.30 2 3 -6 760.22 33.70 2 3 -6 724.43 34.10 2 3 -6 674.63 36.90 2 3 -6 786.62 37.50 5 4 -4 -0.60 2.70 5 4 -4 -0.20 4.00 3 -1 10 1.30 2.00 3 -1 10 1.50 2.90 -3 1 -10 -2.90 3.00 0 -2 8 8.00 1.40 0 -2 8 4.20 2.80 0 -2 8 8.80 2.40 0 -2 8 5.10 1.40 0 2 -8 5.20 2.50 0 2 -8 3.40 1.60 0 2 -8 5.80 2.40 -3 -3 6 -1.00 2.70 -3 -3 6 1.60 1.70 3 3 -6 -0.20 2.30 3 3 -6 1.00 2.20 3 3 -6 -0.40 1.70 3 3 -6 -0.50 3.20 2 -1 10 1.30 2.50 2 -1 10 0.80 1.70 2 -1 10 0.20 3.10 -2 1 -10 -1.40 2.20 -1 -2 8 104.79 9.30 -1 -2 8 127.69 7.70 1 2 -8 108.19 6.90 1 2 -8 126.19 9.00 1 2 -8 108.99 7.40 1 2 -8 127.09 7.90 -4 -3 6 2.10 3.80 4 3 -6 2.70 2.70 4 3 -6 4.40 3.60 1 -1 10 -1.10 1.60 1 -1 10 0.80 2.00 1 -1 10 -0.10 2.50 1 -1 10 -0.60 1.50 -1 1 -10 5.30 2.80 -1 1 -10 -2.50 2.30 -1 1 -10 -0.70 2.10 -2 -2 8 594.44 31.00 -2 -2 8 579.94 28.20 2 2 -8 572.14 30.20 2 2 -8 574.94 27.90 2 2 -8 531.15 26.30 3 0 12 2.70 3.40 -3 0 -12 2.20 3.60 0 -1 10 2.00 2.60 0 -1 10 -0.40 0.80 0 -1 10 3.40 2.30 0 1 -10 0.50 2.30 0 1 -10 -0.50 2.20 0 1 -10 0.20 2.10 -3 -2 8 1.10 3.50 3 2 -8 2.60 2.20 2 0 12 7.60 3.70 2 0 12 4.00 2.50 2 0 12 5.80 2.90 -2 0 -12 2.50 3.60 -1 -1 10 2.70 2.40 -1 -1 10 -1.50 3.10 1 1 -10 6.60 2.00 1 1 -10 3.30 2.30 1 1 -10 3.20 3.50 1 1 -10 5.50 3.00 -4 -2 8 0.10 4.00 4 2 -8 0.00 2.00 1 0 12 -1.90 2.30 1 0 12 0.00 2.60 1 0 12 1.20 2.10 1 0 12 1.30 1.60 -1 0 -12 1.40 2.90 -1 0 -12 -1.80 2.50 -2 -1 10 89.99 11.40 -2 -1 10 72.19 6.90 2 1 -10 70.79 5.80 2 1 -10 64.89 10.60 3 1 14 13.30 4.50 -3 -1 -14 7.60 4.80 0 0 12 -0.20 2.80 0 0 12 1.00 2.60 0 0 -12 1.00 3.10 0 0 -12 -0.70 2.40 0 0 -12 1.70 2.80 -3 -1 10 4.30 4.50 3 1 -10 2.50 2.10 -2 -1 -14 17.70 6.00 -1 0 12 105.09 9.90 -1 0 12 92.69 8.30 1 0 -12 93.29 7.30 1 0 -12 98.79 8.90 -4 -1 10 11.60 5.90 1 1 14 11.00 4.30 -1 -1 -14 13.60 4.70 -2 0 12 4.80 4.30 -2 0 12 15.80 5.10 2 0 -12 10.00 3.00 0 1 14 77.49 10.10 0 -1 -14 70.99 7.10 -3 0 12 14.10 6.00 -1 1 14 -1.70 3.50 1 -1 -14 2.40 2.70 1 2 16 7.60 4.60 -1 -2 -16 8.00 4.60 -2 1 14 14.80 6.00 0 2 16 6.10 5.20 0 -9 -5 2.80 2.80 0 9 5 1.80 3.40 2 -8 -3 0.90 2.40 -2 8 3 4.40 3.90 -1 -9 -5 17.10 4.70 1 9 5 29.00 6.40 1 9 5 19.10 4.30 1 -8 -3 64.79 8.00 1 -8 -3 60.19 6.30 -1 8 3 73.39 8.00 -2 -9 -5 4.40 3.70 2 9 5 -2.30 3.90 2 9 5 0.10 3.20 0 -8 -3 18.00 3.90 0 8 3 27.90 6.10 0 8 3 11.00 3.10 2 -7 -1 -0.10 2.50 2 -7 -1 -0.80 2.20 -2 7 1 3.30 3.10 -1 -8 -3 0.00 2.30 1 8 3 3.30 4.20 1 8 3 -0.50 2.30 1 -7 -1 45.60 6.00 -1 7 1 45.40 5.10 -1 7 1 56.19 7.60 -2 -8 -3 0.30 2.50 2 8 3 -1.40 4.30 2 8 3 0.80 2.80 3 -6 1 -2.00 2.60 0 -7 -1 41.80 5.00 0 -7 -1 39.80 5.10 0 7 1 39.80 6.80 0 7 1 38.20 4.70 -3 -8 -3 11.80 4.40 3 8 3 12.20 5.40 3 8 3 11.50 4.20 2 -6 1 -2.00 2.20 2 -6 1 1.50 2.30 -2 6 -1 2.00 2.10 -2 6 -1 1.80 2.00 -1 -7 -1 52.59 5.90 1 7 1 47.70 5.80 1 7 1 35.20 7.10 4 8 3 1.10 5.40 1 -6 1 29.60 4.20 1 -6 1 22.60 3.80 1 -6 1 39.20 6.00 -1 6 -1 32.50 5.70 -1 6 -1 28.80 4.20 -2 -7 -1 4.30 2.70 2 7 1 1.90 2.80 2 7 1 -2.10 3.90 2 7 1 2.50 2.40 3 -5 3 3.30 3.80 3 -5 3 0.80 4.20 -3 5 -3 9.50 3.70 0 -6 1 1.00 1.50 0 -6 1 -1.70 2.80 0 -6 1 1.00 1.60 0 6 -1 1.70 2.20 0 6 -1 2.40 3.70 -3 -7 -1 2.70 3.10 3 7 1 -2.00 2.50 3 7 1 2.70 4.80 2 -5 3 12.60 4.50 2 -5 3 13.50 3.20 2 -5 3 19.10 4.30 -2 5 -3 23.00 4.10 -2 5 -3 22.20 3.80 -1 -6 1 29.60 4.00 -1 -6 1 21.20 1.70 -1 -6 1 24.30 5.10 1 6 -1 22.90 3.90 1 6 -1 39.50 4.40 1 6 -1 21.10 5.60 -4 -7 -1 20.40 5.40 4 7 1 11.60 4.60 4 7 1 20.80 7.20 4 -4 5 4.30 4.00 -4 4 -5 0.30 3.40 1 -5 3 103.39 8.90 1 -5 3 114.69 7.60 1 -5 3 120.69 7.90 -1 5 -3 126.29 8.90 -1 5 -3 122.69 8.90 -1 5 -3 125.29 8.00 -2 -6 1 -3.10 2.50 -2 -6 1 0.30 1.70 2 6 -1 0.90 2.30 2 6 -1 0.80 1.50 2 6 -1 -1.80 3.50 3 -4 5 -4.10 2.90 3 -4 5 4.60 2.60 -3 4 -5 -0.50 2.70 0 -5 3 12.60 2.30 0 -5 3 16.50 4.20 0 -5 3 12.10 2.30 0 5 -3 20.30 5.00 0 5 -3 19.80 4.60 0 5 -3 14.40 3.40 -3 -6 1 3.60 2.70 3 6 -1 5.00 4.10 3 6 -1 1.70 2.70 2 -4 5 -0.70 2.70 2 -4 5 6.80 3.40 2 -4 5 6.80 2.40 -2 4 -5 5.60 2.60 -2 4 -5 8.00 3.10 -2 4 -5 6.90 2.40 -1 -5 3 28.60 3.50 -1 -5 3 28.00 2.40 -1 -5 3 25.00 4.80 1 5 -3 32.40 5.70 1 5 -3 27.10 4.10 1 5 -3 26.30 3.60 1 5 -3 29.80 5.40 -4 -6 1 -1.00 2.60 4 6 -1 0.70 3.30 4 6 -1 0.20 4.60 4 -3 7 5.00 3.80 -4 3 -7 3.40 3.90 1 -4 5 41.90 4.40 1 -4 5 51.89 6.30 1 -4 5 45.30 4.40 -1 4 -5 57.89 6.80 -1 4 -5 53.49 6.10 -1 4 -5 48.60 4.90 -2 -5 3 2.40 1.90 -2 -5 3 3.50 3.20 2 5 -3 1.80 3.30 2 5 -3 2.80 2.30 2 5 -3 1.20 1.30 3 -3 7 3.10 3.00 3 -3 7 5.70 2.70 -3 3 -7 9.10 3.90 0 -4 5 50.39 3.80 0 -4 5 59.19 7.00 0 -4 5 51.79 4.00 0 -4 5 51.89 4.40 0 4 -5 69.09 7.40 0 4 -5 57.39 5.90 0 4 -5 57.89 5.10 0 4 -5 55.29 5.90 -3 -5 3 3.80 2.30 -3 -5 3 9.00 4.10 3 5 -3 5.00 3.00 3 5 -3 3.00 4.00 2 -3 7 21.60 3.70 2 -3 7 24.90 4.40 2 -3 7 24.80 4.30 -2 3 -7 27.90 4.40 -2 3 -7 37.80 5.70 -1 -4 5 9.80 1.90 -1 -4 5 13.60 3.90 -1 -4 5 11.00 2.20 1 4 -5 11.50 3.00 1 4 -5 10.80 3.90 1 4 -5 7.80 2.00 1 4 -5 10.50 3.90 -4 -5 3 31.10 5.40 4 5 -3 28.80 6.40 4 5 -3 33.70 5.70 4 -2 9 2.40 4.00 -4 2 -9 6.10 4.40 1 -3 7 44.30 5.60 1 -3 7 31.10 4.10 1 -3 7 37.50 4.50 -1 3 -7 36.40 5.50 -1 3 -7 43.50 5.30 -1 3 -7 33.90 5.20 -2 -4 5 2.80 1.80 -2 -4 5 2.30 2.80 -2 -4 5 4.30 1.90 2 4 -5 3.30 1.30 2 4 -5 -2.30 3.30 2 4 -5 3.70 2.50 3 -2 9 -0.40 1.90 3 -2 9 1.90 2.90 -3 2 -9 1.10 3.00 0 -3 7 46.80 4.20 0 -3 7 40.60 3.40 0 -3 7 42.90 3.20 0 -3 7 50.49 5.40 0 3 -7 60.49 6.90 0 3 -7 51.79 5.80 0 3 -7 56.59 5.80 0 3 -7 55.39 6.70 -3 -4 5 154.08 9.60 3 4 -5 156.78 10.50 3 4 -5 166.28 12.50 2 -2 9 39.00 5.40 2 -2 9 38.20 4.90 -2 2 -9 35.20 5.80 -1 -3 7 7.50 3.40 -1 -3 7 4.70 3.30 -1 -3 7 8.70 2.30 -1 -3 7 7.50 1.40 1 3 -7 5.70 1.80 1 3 -7 8.50 2.80 1 3 -7 11.40 4.10 1 3 -7 8.00 3.30 4 4 -5 14.20 4.00 4 4 -5 17.00 5.70 1 -2 9 14.10 3.80 1 -2 9 8.30 2.20 1 -2 9 8.50 2.30 -1 2 -9 7.70 3.40 -1 2 -9 5.30 3.20 -1 2 -9 10.20 3.20 -2 -3 7 159.58 10.00 -2 -3 7 163.58 12.80 2 3 -7 169.78 12.50 2 3 -7 166.58 10.50 2 3 -7 170.18 9.60 2 3 -7 186.18 9.50 3 -1 11 6.40 3.30 -3 1 -11 6.30 4.50 0 -2 9 16.50 4.10 0 -2 9 27.00 4.10 0 -2 9 20.00 2.50 0 -2 9 21.60 2.00 0 2 -9 23.50 4.30 0 2 -9 17.80 3.80 -3 -3 7 46.70 7.90 3 3 -7 46.30 5.70 3 3 -7 55.49 8.50 2 -1 11 62.49 7.50 2 -1 11 59.39 6.60 2 -1 11 61.69 5.40 -2 1 -11 48.80 7.20 -1 -2 9 -1.90 1.50 -1 -2 9 1.00 2.60 1 2 -9 1.40 2.00 1 2 -9 1.50 1.40 1 2 -9 0.10 3.00 1 2 -9 0.30 2.60 -4 -3 7 4.10 4.50 4 3 -7 1.40 2.50 4 3 -7 4.10 4.10 1 -1 11 3.30 2.60 1 -1 11 0.50 2.10 1 -1 11 -0.70 1.60 1 -1 11 0.90 2.60 -1 1 -11 -1.00 2.60 -1 1 -11 -0.70 2.30 -1 1 -11 4.40 3.10 -2 -2 9 34.90 7.10 -2 -2 9 46.90 6.10 2 2 -9 39.70 5.10 2 2 -9 46.20 7.50 3 0 13 6.80 3.80 -3 0 -13 11.30 5.50 0 -1 11 0.80 2.90 0 -1 11 -0.70 1.80 0 1 -11 3.60 2.80 0 1 -11 -2.70 2.00 -3 -2 9 -2.40 3.00 3 2 -9 -0.20 2.00 2 0 13 47.50 6.30 2 0 13 59.99 5.80 -2 0 -13 69.59 9.00 -1 -1 11 60.49 7.50 -1 -1 11 57.89 8.80 1 1 -11 52.39 5.40 1 1 -11 75.29 9.00 -4 -2 9 5.30 4.60 4 2 -9 -1.50 2.10 1 0 13 28.00 5.50 1 0 13 28.50 7.70 -1 0 -13 18.50 4.70 -2 -1 11 -0.10 3.70 -2 -1 11 -2.40 2.40 2 1 -11 2.00 2.20 0 0 13 41.10 7.10 0 0 13 48.90 6.60 0 0 -13 40.50 6.20 0 0 -13 39.00 6.50 -3 -1 11 5.00 4.90 3 1 -11 -0.20 2.10 -2 -1 -15 -2.00 3.60 -1 0 13 2.50 3.70 1 0 -13 5.40 2.80 1 1 15 -0.80 3.20 -1 -1 -15 -0.50 3.70 -2 0 13 10.30 5.60 2 0 -13 10.40 3.40 0 1 15 2.10 3.60 0 -1 -15 4.60 3.50 -1 1 15 1.20 4.10 0 -9 -4 -0.60 2.60 0 9 4 4.50 3.70 2 -8 -2 1.50 2.80 -2 8 2 6.70 4.10 -1 -9 -4 64.99 6.80 1 9 4 72.09 6.60 1 9 4 78.39 10.00 1 -8 -2 18.70 3.90 -1 8 2 30.70 6.20 -2 -9 -4 57.59 8.30 2 9 4 47.70 8.50 2 9 4 57.59 7.20 0 -8 -2 -1.20 2.00 0 8 2 1.10 3.50 0 8 2 0.60 2.40 2 -7 0 -0.20 2.20 2 -7 0 5.10 3.10 -2 7 0 4.20 2.90 -1 -8 -2 41.80 5.80 1 8 2 32.40 6.60 1 8 2 39.70 5.70 1 -7 0 35.40 4.90 1 -7 0 28.20 4.30 -1 7 0 39.70 4.90 -1 7 0 44.10 6.80 -2 -8 -2 3.70 3.00 2 8 2 1.80 2.70 2 8 2 -1.20 3.80 3 -6 2 1.00 3.50 0 -7 0 129.49 8.60 0 7 0 139.79 11.30 0 7 0 140.19 9.00 -3 -8 -2 3.50 3.40 3 8 2 4.40 5.40 3 8 2 0.50 2.90 2 -6 2 -0.80 2.70 2 -6 2 3.30 2.40 -2 6 -2 -1.50 2.00 -2 6 -2 3.90 2.10 -1 -7 0 55.89 6.20 1 7 0 54.29 6.20 1 7 0 48.10 7.90 1 -6 2 30.30 4.10 1 -6 2 26.90 5.70 1 -6 2 27.90 4.10 -1 6 -2 33.30 4.70 -1 6 -2 38.40 6.00 -2 -7 0 2.50 2.10 2 7 0 1.70 4.50 2 7 0 5.80 2.90 3 -5 4 4.10 3.40 -3 5 -4 -2.00 2.60 0 -6 2 68.89 5.50 0 -6 2 82.59 7.80 0 -6 2 75.59 5.50 0 6 -2 75.79 7.70 0 6 -2 72.89 6.10 -3 -7 0 14.10 4.20 3 7 0 20.40 4.80 3 7 0 21.30 6.20 2 -5 4 2.70 3.80 2 -5 4 1.80 2.00 2 -5 4 1.90 2.60 -2 5 -4 3.70 2.60 -1 -6 2 -1.10 2.60 -1 -6 2 2.30 1.70 -1 -6 2 0.20 0.90 1 6 -2 3.80 4.10 1 6 -2 0.70 1.80 -4 -7 0 9.80 4.40 4 7 0 12.70 6.40 4 7 0 10.20 4.00 1 -5 4 -0.40 2.10 1 -5 4 3.10 1.90 1 -5 4 -0.90 2.90 -1 5 -4 1.20 2.20 -1 5 -4 -0.60 3.20 -1 5 -4 0.70 2.50 -2 -6 2 35.40 6.20 -2 -6 2 35.10 4.80 2 6 -2 26.80 6.30 2 6 -2 30.00 4.80 3 -4 6 4.10 3.30 -3 4 -6 2.10 3.10 0 -5 4 6.90 1.80 0 -5 4 7.80 2.40 0 -5 4 15.30 4.20 0 -5 4 10.20 2.20 0 5 -4 8.00 3.80 0 5 -4 15.60 4.60 0 5 -4 8.40 2.80 -3 -6 2 7.50 3.20 3 6 -2 10.10 3.70 3 6 -2 11.30 5.30 2 -4 6 8.20 3.10 2 -4 6 7.00 2.50 2 -4 6 -0.50 3.00 -2 4 -6 8.40 3.40 -2 4 -6 10.50 3.00 -1 -5 4 0.50 1.30 -1 -5 4 -3.10 2.20 -1 -5 4 -0.90 1.30 1 5 -4 -0.30 1.30 1 5 -4 2.00 2.00 1 5 -4 -2.40 3.00 -4 -6 2 1.10 2.80 4 6 -2 -2.30 4.40 4 6 -2 1.80 3.40 4 -3 8 -0.50 3.40 1 -4 6 1.70 2.10 1 -4 6 1.10 3.00 1 -4 6 0.60 1.50 -1 4 -6 0.70 3.20 -1 4 -6 0.20 3.00 -1 4 -6 2.80 2.30 -2 -5 4 289.77 15.00 -2 -5 4 294.77 18.10 -2 -5 4 327.27 16.10 2 5 -4 313.57 16.30 2 5 -4 300.17 17.00 2 5 -4 314.37 19.00 3 -3 8 7.60 3.60 -3 3 -8 2.60 3.20 0 -4 6 69.19 5.30 0 -4 6 69.29 4.70 0 -4 6 87.99 7.20 0 -4 6 67.79 4.50 0 4 -6 69.89 6.80 0 4 -6 66.79 5.80 0 4 -6 63.99 6.80 -3 -5 4 33.10 4.80 3 5 -4 33.00 5.40 3 5 -4 30.50 6.20 2 -3 8 3.20 2.70 2 -3 8 2.80 2.00 2 -3 8 4.80 2.90 -2 3 -8 7.00 3.30 -1 -4 6 163.08 9.10 -1 -4 6 179.88 9.60 -1 -4 6 187.38 11.90 1 4 -6 195.68 13.20 1 4 -6 184.88 10.10 1 4 -6 152.08 10.50 1 4 -6 177.98 12.20 -4 -5 4 0.80 3.90 4 5 -4 2.30 3.10 4 5 -4 2.80 3.70 1 -3 8 9.70 2.50 1 -3 8 5.60 2.60 1 -3 8 9.00 3.60 1 -3 8 9.40 3.50 -1 3 -8 8.30 3.70 -1 3 -8 9.30 3.50 -1 3 -8 9.20 4.10 -2 -4 6 558.04 26.30 -2 -4 6 564.24 29.30 -2 -4 6 523.05 26.60 2 4 -6 551.44 27.80 2 4 -6 606.24 30.20 3 -2 10 1.40 3.10 -3 2 -10 -6.40 2.40 0 -3 8 106.19 5.70 0 -3 8 108.49 7.10 0 -3 8 95.89 8.10 0 -3 8 95.79 5.90 0 3 -8 103.99 8.20 0 3 -8 113.09 7.80 0 3 -8 90.39 8.10 3 4 -6 7.70 4.30 3 4 -6 13.30 3.80 2 -2 10 17.80 3.90 2 -2 10 19.60 4.80 2 -2 10 19.80 3.50 -2 2 -10 17.60 4.70 -1 -3 8 62.79 8.20 -1 -3 8 50.09 4.70 1 3 -8 54.99 5.40 1 3 -8 83.29 9.30 1 3 -8 51.79 4.70 4 4 -6 4.20 3.70 4 4 -6 2.60 2.50 1 -2 10 3.20 2.00 1 -2 10 0.60 2.70 1 -2 10 0.90 1.90 -1 2 -10 0.30 3.30 -1 2 -10 4.70 2.90 -1 2 -10 -1.20 2.80 -2 -3 8 2.70 3.50 -2 -3 8 1.50 1.80 2 3 -8 -0.20 2.20 2 3 -8 -0.50 3.50 3 -1 12 3.40 3.20 -3 1 -12 6.30 4.20 0 -2 10 6.70 2.80 0 -2 10 6.50 3.40 0 2 -10 7.50 3.00 0 2 -10 8.10 3.30 0 2 -10 7.20 3.10 -3 -3 8 5.40 4.00 3 3 -8 -3.60 3.10 3 3 -8 4.40 2.60 2 -1 12 16.80 4.00 2 -1 12 30.80 4.40 -2 1 -12 20.70 5.10 -1 -2 10 110.99 7.70 -1 -2 10 92.59 9.20 1 2 -10 97.89 7.50 1 2 -10 94.59 8.90 -4 -3 8 -4.60 3.70 4 3 -8 2.60 2.60 4 3 -8 12.00 4.80 1 -1 12 0.10 2.30 1 -1 12 -2.20 2.30 -1 1 -12 0.30 2.90 -2 -2 10 -0.10 2.20 -2 -2 10 0.40 3.40 2 2 -10 2.00 2.10 0 -1 12 4.30 3.40 0 -1 12 4.40 3.10 0 1 -12 10.90 4.40 0 1 -12 7.00 3.60 0 1 -12 2.40 2.90 -3 -2 10 18.30 5.90 3 2 -10 18.20 3.90 -2 0 -14 3.10 4.10 -1 -1 12 23.50 6.30 -1 -1 12 29.30 5.60 1 1 -12 26.40 4.80 1 1 -12 28.50 8.70 1 0 14 0.40 3.00 -1 0 -14 -3.50 2.50 -2 -1 12 48.60 8.70 -2 -1 12 42.30 8.80 2 1 -12 41.60 5.50 0 0 14 8.40 4.70 0 0 -14 5.20 3.60 -3 -1 12 3.10 4.70 -1 0 14 5.40 4.80 1 0 -14 4.30 3.20 -2 0 14 -3.80 4.40 0 -9 -3 -2.30 2.00 0 9 3 5.00 3.70 2 -8 -1 16.40 4.00 -1 -9 -3 11.10 3.80 1 9 3 18.70 5.90 1 9 3 11.00 3.60 1 -8 -1 38.60 5.50 -1 8 1 59.69 8.00 -2 -9 -3 0.40 2.40 2 9 3 1.90 4.30 2 9 3 -0.30 2.60 0 -8 -1 16.40 3.80 0 8 1 24.30 5.90 0 8 1 16.60 4.00 2 -7 1 10.50 3.80 2 -7 1 16.20 4.00 -2 7 -1 24.40 4.50 -2 7 -1 38.90 7.70 -1 -8 -1 8.90 3.30 1 8 1 7.00 3.00 1 8 1 12.60 5.30 1 -7 1 25.00 4.00 1 -7 1 31.20 4.90 -1 7 -1 37.20 5.00 -1 7 -1 42.50 6.60 -2 -8 -1 0.00 2.50 2 8 1 1.00 2.60 2 8 1 -0.90 3.80 3 -6 3 -1.70 2.90 -3 6 -3 -3.10 2.50 0 -7 1 100.49 6.90 0 7 -1 97.09 7.10 0 7 -1 75.99 8.80 -3 -8 -1 5.70 3.40 3 8 1 -1.40 4.20 3 8 1 2.50 3.50 2 -6 3 15.60 4.00 2 -6 3 24.00 4.40 -2 6 -3 25.30 4.60 -1 -7 1 41.30 5.20 1 7 -1 32.90 4.90 1 7 -1 47.20 7.80 1 -6 3 0.90 2.00 1 -6 3 -2.70 3.40 1 -6 3 -0.70 1.80 -1 6 -3 4.50 2.70 -1 6 -3 1.10 3.20 2 7 -1 26.80 5.00 2 7 -1 30.50 7.20 3 -5 5 0.60 3.60 -3 5 -5 0.30 3.00 0 -6 3 51.89 5.10 0 -6 3 62.69 7.80 0 -6 3 56.59 4.80 0 6 -3 64.79 5.70 0 6 -3 73.89 8.70 -3 -7 1 -2.30 2.10 3 7 -1 -4.60 4.30 3 7 -1 -0.10 2.70 2 -5 5 40.30 6.20 2 -5 5 42.40 5.70 2 -5 5 36.20 4.90 -2 5 -5 43.60 6.20 -1 -6 3 -1.60 3.00 -1 -6 3 1.60 1.20 -1 -6 3 2.90 1.90 1 6 -3 1.60 4.20 1 6 -3 2.90 2.50 -4 -7 1 0.70 3.10 4 7 -1 -1.20 3.10 4 7 -1 -4.00 4.90 1 -5 5 1.30 1.80 1 -5 5 -6.50 3.00 1 -5 5 -1.40 2.10 -1 5 -5 -1.80 2.00 -1 5 -5 -2.30 3.20 -2 -6 3 19.20 3.60 2 6 -3 12.90 5.20 2 6 -3 16.70 4.00 3 -4 7 0.60 2.90 -3 4 -7 0.80 3.20 0 -5 5 104.89 8.90 0 -5 5 115.99 6.70 0 -5 5 102.89 6.60 0 -5 5 114.99 7.10 0 5 -5 104.39 9.20 0 5 -5 94.99 7.50 -3 -6 3 2.90 2.60 3 6 -3 8.80 4.70 3 6 -3 -1.60 2.30 2 -4 7 2.30 2.20 2 -4 7 -1.50 2.60 2 -4 7 -1.90 2.90 -2 4 -7 4.50 3.00 -1 -5 5 235.78 12.10 -1 -5 5 245.88 11.90 -1 -5 5 231.48 14.80 1 5 -5 224.88 14.90 1 5 -5 209.28 13.20 1 5 -5 229.68 12.70 -4 -6 3 1.00 3.00 4 6 -3 6.30 3.70 4 6 -3 2.80 4.90 1 -4 7 25.70 3.70 1 -4 7 30.70 5.30 1 -4 7 31.50 4.00 -1 4 -7 32.00 5.40 -1 4 -7 32.40 5.50 -1 4 -7 34.20 5.90 -2 -5 5 43.80 3.90 -2 -5 5 47.30 4.50 2 5 -5 62.39 8.60 2 5 -5 50.79 6.10 3 -3 9 0.70 2.90 -3 3 -9 1.00 3.60 0 -4 7 4.30 2.20 0 -4 7 3.70 3.50 0 -4 7 5.30 1.60 0 -4 7 4.40 1.50 0 4 -7 -0.70 3.10 0 4 -7 3.10 2.50 0 4 -7 2.70 3.10 -3 -5 5 3.90 2.30 3 5 -5 -0.30 3.70 3 5 -5 -0.30 2.80 2 -3 9 1.50 1.90 2 -3 9 0.40 2.30 -2 3 -9 5.00 3.00 -1 -4 7 365.36 17.90 -1 -4 7 368.46 20.30 -1 -4 7 370.06 17.00 1 4 -7 366.66 20.70 1 4 -7 354.36 18.20 1 4 -7 303.77 18.60 4 5 -5 5.40 3.40 4 5 -5 8.20 4.70 1 -3 9 7.20 2.50 1 -3 9 5.70 2.10 1 -3 9 7.80 3.70 1 -3 9 2.30 3.00 -1 3 -9 7.40 3.40 -1 3 -9 2.40 3.20 -1 3 -9 0.20 3.90 -2 -4 7 24.60 3.90 2 4 -7 27.70 4.80 2 4 -7 22.60 5.40 3 -2 11 -4.30 2.90 -3 2 -11 1.90 3.30 0 -3 9 29.10 2.50 0 -3 9 22.70 3.90 0 -3 9 35.50 5.90 0 3 -9 37.00 5.90 0 3 -9 30.00 5.70 0 3 -9 36.20 5.30 3 4 -7 4.60 4.20 3 4 -7 3.90 2.70 2 -2 11 -1.80 1.60 2 -2 11 -3.40 2.10 -2 2 -11 1.30 3.00 -1 -3 9 388.76 22.90 -1 -3 9 410.76 20.10 1 3 -9 375.56 20.60 1 3 -9 386.66 22.20 4 4 -7 8.90 4.70 4 4 -7 4.20 3.30 1 -2 11 -1.30 2.20 1 -2 11 1.80 2.90 -1 2 -11 0.30 3.00 -1 2 -11 -0.80 2.50 -1 2 -11 -1.20 2.50 -2 -3 9 11.70 4.60 -2 -3 9 11.00 3.20 2 3 -9 12.10 4.70 2 3 -9 12.00 3.50 0 -2 11 2.70 2.70 0 -2 11 -1.90 2.70 0 2 -11 6.00 3.30 0 2 -11 5.60 3.40 -3 -3 9 -0.70 3.50 3 3 -9 3.20 4.10 3 3 -9 4.00 2.80 -2 1 -13 -2.30 2.80 -1 -2 11 55.39 8.30 -1 -2 11 52.99 5.60 1 2 -11 61.09 7.10 1 2 -11 63.69 8.70 -4 -3 9 6.90 5.60 4 3 -9 6.30 3.20 4 3 -9 10.40 4.90 1 -1 13 -2.00 3.90 -1 1 -13 4.40 3.30 -2 -2 11 2.60 4.00 -2 -2 11 3.70 2.60 2 2 -11 2.70 2.70 0 -1 13 65.79 8.80 0 1 -13 57.99 8.20 0 1 -13 79.99 8.60 -3 -2 11 24.40 7.30 3 2 -11 22.00 4.60 -1 -1 13 8.60 4.70 1 1 -13 7.30 3.60 -1 0 -15 20.30 5.60 -2 -1 13 7.10 4.80 2 1 -13 9.00 3.60 0 0 15 -0.80 3.70 0 0 -15 -2.30 2.70 -1 0 15 17.00 6.20 1 0 -15 16.90 4.80 0 -9 -2 8.70 3.40 0 9 2 5.70 4.00 0 9 2 11.20 4.40 -1 -9 -2 1.40 2.40 1 9 2 -1.40 3.80 1 9 2 14.80 3.90 1 -8 0 1.90 2.40 -1 8 0 6.20 3.70 -1 8 0 5.70 2.90 -2 -9 -2 34.30 6.20 2 9 2 34.30 5.80 2 9 2 41.00 8.40 0 -8 0 21.10 4.30 0 8 0 30.30 5.10 0 8 0 32.70 6.40 2 -7 2 6.80 3.60 2 -7 2 1.40 2.60 -2 7 -2 2.10 2.90 -1 -8 0 3.00 2.60 1 8 0 -0.40 2.40 1 8 0 2.10 4.30 1 -7 2 4.50 2.30 -1 7 -2 7.50 3.00 -1 7 -2 9.60 3.90 -2 -8 0 3.00 2.70 2 8 0 2.20 5.00 2 8 0 1.80 2.80 3 -6 4 3.70 3.60 0 -7 2 24.70 4.00 0 7 -2 31.20 5.00 0 7 -2 25.10 6.10 -3 -8 0 18.50 5.00 3 8 0 17.00 4.70 3 8 0 16.00 7.10 2 -6 4 7.60 3.40 2 -6 4 9.70 3.70 -2 6 -4 13.50 4.00 -1 -7 2 -1.20 1.60 1 7 -2 -0.20 4.20 1 7 -2 3.10 2.70 1 -6 4 -1.10 1.80 1 -6 4 2.70 2.10 -1 6 -4 -0.50 2.40 -1 6 -4 -3.40 3.30 -2 -7 2 2.00 2.30 2 7 -2 1.60 2.50 2 7 -2 1.40 4.10 3 -5 6 4.40 3.80 -3 5 -6 0.30 3.20 0 -6 4 5.50 4.40 0 -6 4 2.70 2.00 0 -6 4 3.50 2.10 0 6 -4 5.50 2.60 0 6 -4 1.90 4.40 -3 -7 2 4.00 2.80 3 7 -2 -1.60 4.10 3 7 -2 3.80 3.40 2 -5 6 11.10 3.30 2 -5 6 6.80 4.40 2 -5 6 10.80 3.30 -2 5 -6 9.90 3.60 -1 -6 4 3.40 2.00 1 6 -4 2.20 2.40 1 6 -4 0.10 4.20 -4 -7 2 -0.70 3.00 4 7 -2 1.10 3.60 4 7 -2 -6.70 4.40 1 -5 6 5.40 2.50 1 -5 6 11.10 2.80 1 -5 6 8.80 4.40 -1 5 -6 10.80 3.70 -1 5 -6 3.80 3.90 -2 -6 4 16.10 3.40 2 6 -4 8.90 4.90 2 6 -4 13.20 3.70 3 -4 8 1.20 3.50 -3 4 -8 3.10 3.30 0 -5 6 10.00 4.30 0 -5 6 7.00 2.70 0 -5 6 9.50 2.30 0 5 -6 5.20 4.30 0 5 -6 9.40 3.50 -3 -6 4 38.00 5.50 3 6 -4 40.90 7.70 3 6 -4 36.50 5.80 2 -4 8 1.00 2.00 2 -4 8 -0.80 2.60 -2 4 -8 0.90 2.70 -1 -5 6 74.29 5.20 -1 -5 6 65.89 5.00 -1 -5 6 68.59 8.50 1 5 -6 71.19 6.70 1 5 -6 80.19 9.40 4 6 -4 41.90 6.90 4 6 -4 39.10 8.60 1 -4 8 16.00 3.10 1 -4 8 18.00 3.60 1 -4 8 22.60 4.90 1 -4 8 17.70 4.40 -1 4 -8 12.90 4.50 -1 4 -8 17.40 5.20 -1 4 -8 10.30 3.70 -2 -5 6 57.59 6.70 -2 -5 6 52.59 4.60 2 5 -6 45.20 7.90 2 5 -6 50.79 6.50 3 -3 10 2.20 3.20 -3 3 -10 10.00 4.50 0 -4 8 0.30 3.10 0 -4 8 -0.20 1.20 0 -4 8 0.10 2.10 0 4 -8 4.80 3.10 0 4 -8 -0.40 3.00 3 5 -6 16.40 5.60 3 5 -6 7.30 3.40 2 -3 10 4.10 2.40 2 -3 10 -1.30 2.40 -2 3 -10 -1.50 2.50 -1 -4 8 1.30 3.10 -1 -4 8 1.60 1.90 1 4 -8 1.80 2.50 1 4 -8 -4.50 3.10 4 5 -6 26.40 6.90 4 5 -6 18.50 4.60 1 -3 10 2.10 3.30 1 -3 10 0.60 2.70 1 -3 10 -2.30 1.80 -1 3 -10 -4.60 4.10 -1 3 -10 -0.70 2.70 -1 3 -10 0.70 2.70 -2 -4 8 24.60 4.10 2 4 -8 20.80 5.80 2 4 -8 24.60 4.90 3 -2 12 8.90 4.10 0 -3 10 0.00 2.20 0 3 -10 -1.40 3.10 0 3 -10 -2.10 2.80 3 4 -8 6.20 4.40 3 4 -8 6.70 3.10 2 -2 12 1.10 2.50 -2 2 -12 -2.00 3.10 -1 -3 10 21.40 4.20 -1 -3 10 20.10 5.70 1 3 -10 27.50 6.30 1 3 -10 19.00 4.30 4 4 -8 0.60 2.40 4 4 -8 -2.10 3.10 -1 2 -12 -1.40 2.30 -2 -3 10 0.70 2.00 -2 -3 10 -1.10 3.40 2 3 -10 1.20 2.60 2 3 -10 6.00 3.60 0 -2 12 4.60 3.20 0 -2 12 4.60 3.50 0 2 -12 3.70 3.70 0 2 -12 4.50 3.80 -3 -3 10 2.40 4.80 3 3 -10 1.10 2.90 3 3 -10 0.00 3.60 -2 1 -14 -2.30 3.60 -1 -2 12 2.50 3.70 -1 -2 12 0.90 2.80 1 2 -12 2.70 3.00 -1 1 -14 10.50 4.60 -2 -2 12 3.80 4.50 2 2 -12 -0.40 2.40 0 -1 14 1.20 3.30 0 1 -14 0.20 3.40 -3 -2 12 1.10 4.80 -1 -1 14 3.70 4.70 1 1 -14 10.80 4.20 0 -9 -1 -0.90 1.90 0 9 1 5.70 3.10 0 9 1 6.40 4.10 -1 -9 -1 1.40 2.60 1 9 1 7.00 3.20 1 9 1 1.00 4.30 1 -8 1 13.10 3.50 -1 8 -1 18.40 5.00 -1 8 -1 18.30 4.20 -2 -9 -1 -1.00 2.80 2 9 1 0.10 2.80 2 9 1 -4.10 4.70 0 -8 1 35.40 5.20 0 8 -1 47.50 6.20 0 8 -1 31.60 6.90 2 -7 3 1.20 2.90 2 -7 3 4.70 3.10 -2 7 -3 3.50 3.00 -1 -8 1 -1.10 1.80 1 8 -1 0.30 4.30 1 8 -1 2.80 2.80 -1 7 -3 37.20 6.50 -1 7 -3 35.30 5.70 -2 -8 1 3.20 2.70 2 8 -1 5.20 3.40 2 8 -1 15.00 6.40 0 -7 3 14.00 3.20 0 7 -3 18.50 4.10 0 7 -3 14.20 5.40 -3 -8 1 5.20 3.70 3 8 -1 2.00 3.10 3 8 -1 0.80 5.50 2 -6 5 1.90 2.40 2 -6 5 2.00 2.60 -2 6 -5 1.10 2.60 -1 -7 3 26.90 4.10 1 7 -3 13.30 5.80 1 7 -3 27.80 5.00 1 -6 5 -2.30 1.60 -1 6 -5 3.80 4.00 -1 6 -5 6.10 3.20 -2 -7 3 -0.60 2.00 2 7 -3 4.50 4.80 2 7 -3 1.10 2.80 3 -5 7 9.70 4.30 0 -6 5 3.70 2.40 0 -6 5 7.60 2.40 0 6 -5 2.90 3.00 0 6 -5 4.90 4.80 -3 -7 3 3.20 3.10 3 7 -3 6.00 5.40 3 7 -3 0.40 3.10 2 -5 7 -2.00 2.60 2 -5 7 -0.70 2.00 -2 5 -7 -1.60 2.20 -1 -6 5 100.89 6.60 1 6 -5 69.19 7.20 1 6 -5 109.99 10.10 1 -5 7 13.80 4.90 1 -5 7 15.80 4.30 1 -5 7 13.70 2.80 -1 5 -7 15.80 4.40 -1 5 -7 15.00 4.80 -2 -6 5 41.50 5.10 2 6 -5 44.10 7.50 2 6 -5 29.10 5.10 3 -4 9 0.40 3.20 0 -5 7 156.68 9.00 0 -5 7 155.78 11.90 0 -5 7 170.58 9.80 0 5 -7 157.68 11.90 0 5 -7 154.38 10.60 3 6 -5 2.00 4.40 3 6 -5 -2.10 2.60 2 -4 9 2.60 2.20 2 -4 9 3.70 2.90 -2 4 -9 0.60 2.80 -1 -5 7 242.88 12.10 -1 -5 7 240.08 12.50 1 5 -7 259.17 16.00 1 5 -7 174.98 13.20 4 6 -5 5.90 5.30 1 -4 9 5.10 2.20 1 -4 9 5.60 3.30 1 -4 9 2.60 3.40 -1 4 -9 3.30 3.10 2 5 -7 -0.40 3.20 2 5 -7 1.20 2.50 0 -4 9 97.49 7.30 0 -4 9 110.99 9.60 0 4 -9 100.89 9.00 0 4 -9 97.09 8.10 3 5 -7 0.80 4.00 3 5 -7 1.70 2.50 2 -3 11 -1.00 2.50 -2 3 -11 -5.20 2.60 -1 -4 9 -0.20 1.90 1 4 -9 -4.00 3.10 1 4 -9 0.60 2.70 1 -3 11 1.50 2.90 -1 3 -11 3.50 3.40 -2 -4 9 2.50 2.40 2 4 -9 -0.20 3.40 2 4 -9 2.60 3.10 0 -3 11 126.19 8.70 0 3 -11 113.39 9.90 0 3 -11 111.59 9.10 3 4 -9 0.80 3.90 3 4 -9 1.50 3.10 -2 2 -13 -3.60 3.10 -1 -3 11 4.10 4.50 -1 -3 11 5.90 2.90 1 3 -11 10.60 4.60 1 3 -11 6.70 3.10 -1 2 -13 0.50 3.40 -2 -3 11 4.60 3.00 -2 -3 11 3.50 4.30 2 3 -11 7.10 3.40 2 3 -11 6.50 4.40 0 -2 13 38.50 7.30 0 2 -13 36.00 6.20 -3 -3 11 0.40 3.60 3 3 -11 5.20 3.30 3 3 -11 12.10 5.40 -1 -2 13 8.20 4.50 1 2 -13 8.60 4.20 -2 -2 13 5.10 5.00 2 2 -13 7.60 3.50 0 -1 15 5.60 4.30 0 1 -15 2.60 3.90 -1 -9 0 -2.80 2.10 1 9 0 3.40 5.00 1 9 0 1.60 2.90 1 -8 2 10.50 3.30 -1 8 -2 18.50 5.00 -1 8 -2 18.30 4.40 0 -8 2 13.10 3.50 0 8 -2 15.70 4.10 0 8 -2 13.20 5.40 2 -7 4 1.60 2.80 -1 -8 2 3.30 2.60 1 8 -2 5.80 3.40 1 8 -2 -1.60 4.30 1 -7 4 4.40 2.60 -1 7 -4 7.50 4.00 -1 7 -4 6.10 3.30 -2 -8 2 2.10 2.70 2 8 -2 0.80 2.60 2 8 -2 -2.60 4.70 0 -7 4 5.90 2.40 0 7 -4 2.20 2.80 0 7 -4 5.20 4.50 -3 -8 2 -0.80 2.90 3 8 -2 0.70 3.00 3 8 -2 -1.90 5.20 2 -6 6 1.80 2.50 -2 6 -6 -1.10 2.70 -1 -7 4 0.50 2.00 1 7 -4 -4.90 2.00 1 7 -4 -1.10 4.40 1 -6 6 10.20 2.90 -1 6 -6 14.40 4.10 -1 6 -6 4.40 4.80 -2 -7 4 1.40 2.30 2 7 -4 0.00 2.50 2 7 -4 0.90 4.80 0 -6 6 56.29 5.10 0 -6 6 56.09 5.30 0 6 -6 68.49 8.00 0 6 -6 74.29 9.50 3 7 -4 -2.80 4.10 3 7 -4 0.80 3.50 2 -5 8 5.40 3.10 -2 5 -8 -0.50 2.60 -1 -6 6 13.50 3.00 1 6 -6 14.10 5.70 1 6 -6 21.00 4.90 1 -5 8 0.20 2.00 1 -5 8 -2.40 3.50 1 -5 8 2.90 3.30 -1 5 -8 2.80 3.20 2 6 -6 7.40 4.70 2 6 -6 5.00 3.10 0 -5 8 88.19 6.70 0 -5 8 83.69 5.90 0 5 -8 94.49 8.00 0 5 -8 98.99 11.00 3 6 -6 13.60 5.50 3 6 -6 10.10 4.10 2 -4 10 2.60 2.90 -2 4 -10 1.80 3.40 -1 -5 8 14.60 3.30 1 5 -8 9.60 4.00 1 5 -8 16.90 5.30 1 -4 10 -0.90 2.90 -1 4 -10 0.30 3.10 2 5 -8 5.00 3.20 2 5 -8 10.20 4.60 0 -4 10 156.48 10.00 0 4 -10 153.98 11.00 0 4 -10 140.99 11.40 3 5 -8 11.10 5.30 3 5 -8 10.20 3.60 -2 3 -12 6.80 3.70 -1 -4 10 7.60 3.00 1 4 -10 10.20 4.70 1 4 -10 5.40 3.30 -1 3 -12 3.30 3.50 -2 -4 10 1.10 2.20 2 4 -10 0.90 2.80 2 4 -10 -1.40 3.30 0 3 -12 39.30 6.20 0 3 -12 65.59 8.90 3 4 -10 10.60 5.30 3 4 -10 6.80 3.70 -1 -3 12 6.00 4.90 -1 -3 12 6.50 3.80 1 3 -12 2.90 3.30 1 3 -12 5.30 3.70 -1 2 -14 10.20 4.70 -2 -3 12 -3.00 3.80 2 3 -12 3.70 3.20 2 3 -12 8.40 4.70 0 -2 14 4.10 4.10 0 2 -14 17.50 5.10 -1 -2 14 -0.50 4.30 1 2 -14 -0.70 3.50 0 -8 3 1.10 2.20 0 8 -3 4.80 2.70 0 8 -3 -0.80 4.20 -1 -8 3 0.10 2.20 1 8 -3 -1.50 3.00 1 8 -3 0.20 4.70 1 -7 5 2.20 2.30 -1 7 -5 1.20 3.10 -2 -8 3 7.80 3.30 2 8 -3 6.70 5.70 2 8 -3 4.90 3.50 0 -7 5 5.30 2.60 0 7 -5 2.10 4.90 0 7 -5 6.00 3.80 2 -6 7 -0.70 2.50 -1 -7 5 9.70 2.90 1 7 -5 8.80 5.40 1 7 -5 7.00 3.80 1 -6 7 2.90 3.30 1 -6 7 1.80 2.20 -1 6 -7 6.10 3.90 -2 -7 5 4.30 4.20 2 7 -5 7.90 5.60 2 7 -5 10.60 4.20 0 -6 7 55.39 5.10 0 6 -7 66.59 9.50 0 6 -7 67.89 8.10 3 7 -5 41.90 6.70 3 7 -5 55.99 9.90 2 -5 9 2.50 3.00 -2 5 -9 3.30 3.60 1 6 -7 1.60 2.80 1 6 -7 -2.30 3.90 1 -5 9 1.50 3.30 1 -5 9 2.50 2.20 -1 5 -9 0.10 3.10 2 6 -7 5.90 4.90 2 6 -7 1.00 3.30 0 -5 9 15.90 3.80 0 5 -9 17.90 4.80 0 5 -9 13.90 5.80 3 6 -7 31.00 5.80 3 6 -7 35.00 7.90 -1 -5 9 12.50 4.80 1 5 -9 1.00 3.30 1 5 -9 5.00 4.10 -1 4 -11 2.90 3.50 2 5 -9 8.40 4.70 2 5 -9 12.90 4.40 0 -4 11 1.40 2.70 0 4 -11 15.80 5.30 0 4 -11 8.60 4.30 3 5 -9 4.30 5.00 -1 -4 11 0.90 2.50 1 4 -11 3.10 3.90 1 4 -11 3.70 3.70 -1 3 -13 -2.30 3.30 2 4 -11 3.20 4.00 2 4 -11 1.40 2.80 0 3 -13 7.80 4.40 0 3 -13 -3.00 3.60 -1 -3 13 -1.70 4.00 1 3 -13 7.10 3.90 1 3 -13 -2.50 3.20 0 -8 4 1.20 2.30 0 8 -4 6.80 5.20 0 8 -4 0.90 3.20 -1 -8 4 0.10 2.40 1 8 -4 -1.00 2.90 1 8 -4 -0.70 5.00 1 -7 6 7.70 2.90 -1 7 -6 11.00 4.30 -2 -8 4 1.50 2.50 2 8 -4 -0.60 5.20 0 -7 6 31.70 4.60 0 7 -6 30.80 5.90 0 7 -6 26.30 7.00 -1 -7 6 4.20 3.50 1 7 -6 9.40 4.20 1 7 -6 6.00 5.30 1 -6 8 25.30 3.90 -1 6 -8 23.40 5.70 2 7 -6 0.60 3.50 2 7 -6 4.10 5.70 0 6 -8 93.99 11.10 0 6 -8 66.49 8.40 1 6 -8 2.80 4.70 1 6 -8 3.70 3.40 -1 5 -10 17.80 5.00 2 6 -8 -0.90 2.90 2 6 -8 -2.50 4.10 0 -5 10 -0.90 2.40 0 5 -10 -8.00 3.70 0 5 -10 1.60 3.30 1 5 -10 -4.00 3.00 1 5 -10 -4.10 3.10 2 5 -10 2.50 3.70 2 5 -10 -1.50 3.80 0 4 -12 1.40 4.20 0 4 -12 2.30 3.50 1 4 -12 1.20 4.20 1 4 -12 0.90 3.60 0 7 -7 -1.60 5.60 1 7 -7 4.00 3.60 1 7 -7 -1.00 5.00 0 6 -9 -6.70 4.60 0 6 -9 1.70 3.50 1 6 -9 4.70 5.10 1 6 -9 37.90 6.00 _computing_structure_solution 'SHELXT 2014/4 (Sheldrick, 2014)' ; _shelx_hkl_checksum 36003 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -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 O1 O 0.6393(6) 0.5865(3) 0.35583(18) 0.0845(9) Uani 1 1 d . . . . . N1 N 0.5318(9) 0.1566(5) 0.1667(2) 0.0958(12) Uani 1 1 d . . . . . C1 C 0.3431(6) 0.2840(3) 0.4085(2) 0.0475(7) Uani 1 1 d . . . . . H1 H 0.348967 0.360339 0.453974 0.057 Uiso 1 1 calc R U . . . O2 O 0.7682(5) 0.5295(3) 0.19717(16) 0.0681(8) Uani 1 1 d . . . . . C2 C 0.1728(5) 0.1362(3) 0.4518(2) 0.0436(7) Uani 1 1 d . . . . . C3 C 0.0157(6) 0.1383(4) 0.5490(2) 0.0508(8) Uani 1 1 d . . . . . H3 H 0.026055 0.231769 0.582497 0.061 Uiso 1 1 calc R U . . . C4 C -0.1529(6) 0.0067(4) 0.5962(2) 0.0518(8) Uani 1 1 d . . . . . H4 H -0.255246 0.012186 0.660895 0.062 Uiso 1 1 calc R U . . . C5 C 0.4924(6) 0.3292(3) 0.3150(2) 0.0475(7) Uani 1 1 d . . . . . C6 C 0.6401(6) 0.4956(4) 0.2930(2) 0.0533(8) Uani 1 1 d . . . . . C7 C 0.9054(9) 0.6966(5) 0.1648(3) 0.0822(11) Uani 1 1 d . . . . . H7A H 0.756624 0.807918 0.163219 0.099 Uiso 1 1 calc R U . . . H7B H 1.050133 0.689554 0.216200 0.099 Uiso 1 1 calc R U . . . C8 C 1.0461(13) 0.7071(7) 0.0597(4) 0.1163(17) Uani 1 1 d . . . . . H8A H 1.191522 0.595953 0.061628 0.174 Uiso 1 1 calc R U . . . H8B H 1.139430 0.814724 0.038697 0.174 Uiso 1 1 calc R U . . . H8C H 0.900905 0.717502 0.008871 0.174 Uiso 1 1 calc R U . . . C9 C 0.5147(7) 0.2321(4) 0.2324(2) 0.0606(8) 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 O1 0.117(2) 0.0831(17) 0.0799(15) -0.0448(13) 0.0272(13) -0.0608(15) N1 0.164(3) 0.076(2) 0.0635(17) -0.0339(15) 0.0291(18) -0.052(2) C1 0.0524(15) 0.0442(13) 0.0526(15) -0.0199(11) 0.0015(11) -0.0157(11) O2 0.0934(16) 0.0538(13) 0.0629(14) -0.0172(10) 0.0187(11) -0.0333(11) C2 0.0465(14) 0.0430(13) 0.0472(14) -0.0169(10) -0.0007(10) -0.0150(10) C3 0.0623(16) 0.0476(14) 0.0539(15) -0.0270(12) 0.0049(12) -0.0206(11) C4 0.0598(16) 0.0540(15) 0.0507(15) -0.0251(12) 0.0107(11) -0.0212(12) C5 0.0539(15) 0.0415(14) 0.0513(15) -0.0167(11) 0.0001(11) -0.0134(11) C6 0.0590(16) 0.0465(15) 0.0580(16) -0.0174(12) 0.0081(12) -0.0170(11) C7 0.110(3) 0.0553(19) 0.085(2) -0.0153(16) 0.018(2) -0.0355(18) C8 0.163(5) 0.103(3) 0.087(3) -0.008(2) 0.030(3) -0.070(3) C9 0.086(2) 0.0497(15) 0.0513(16) -0.0155(13) 0.0120(13) -0.0270(13) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 C5 C1 C2 131.3(2) . . C5 C1 H1 114.4 . . C2 C1 H1 114.4 . . C6 O2 C7 116.7(2) . . C3 C2 C4 117.6(2) . 2_556 C3 C2 C1 117.1(2) . . C4 C2 C1 125.3(2) 2_556 . C4 C3 C2 121.8(2) . . C4 C3 H3 119.1 . . C2 C3 H3 119.1 . . C3 C4 C2 120.6(2) . 2_556 C3 C4 H4 119.7 . . C2 C4 H4 119.7 2_556 . C1 C5 C9 124.4(2) . . C1 C5 C6 118.2(2) . . C9 C5 C6 117.4(2) . . O1 C6 O2 124.3(2) . . O1 C6 C5 123.6(3) . . O2 C6 C5 112.2(2) . . C8 C7 O2 109.1(3) . . C8 C7 H7A 109.9 . . O2 C7 H7A 109.9 . . C8 C7 H7B 109.9 . . O2 C7 H7B 109.9 . . H7A C7 H7B 108.3 . . C7 C8 H8A 109.5 . . C7 C8 H8B 109.5 . . H8A C8 H8B 109.5 . . C7 C8 H8C 109.5 . . H8A C8 H8C 109.5 . . H8B C8 H8C 109.5 . . N1 C9 C5 179.5(3) . . loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 O1 C6 1.192(3) . N1 C9 1.130(4) . C1 C5 1.335(4) . C1 C2 1.456(3) . C1 H1 0.9300 . O2 C6 1.310(4) . O2 C7 1.469(4) . C2 C3 1.396(4) . C2 C4 1.399(3) 2_556 C3 C4 1.368(4) . C3 H3 0.9300 . C4 H4 0.9300 . C5 C9 1.432(4) . C5 C6 1.497(4) . C7 C8 1.443(6) . C7 H7A 0.9700 . C7 H7B 0.9700 . C8 H8A 0.9600 . C8 H8B 0.9600 . C8 H8C 0.9600 .