#------------------------------------------------------------------------------ #$Date: 2024-07-23 01:10:12 +0300 (Tue, 23 Jul 2024) $ #$Revision: 293497 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/57/21/1572154.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_1572154 loop_ _publ_author_name 'Hu, Xueqing' 'Zhao, Yunxu' 'He, Tong' 'Niu, Caoyue' 'Liu, Feipeng' 'Jia, Wei' 'Mu, Yi' 'Li, Xingwei' 'Rong, Zi-Qiang' _publ_section_title ; Access to Distal Biaxial Atropisomers by Iridium Catalyzed Asymmetric C−H Alkylation ; _journal_name_full 'Chemical Science' _journal_paper_doi 10.1039/D4SC01837K _journal_year 2024 _chemical_absolute_configuration ad _chemical_formula_moiety 'C35 H34 N2 O2' _chemical_formula_sum 'C35 H34 N2 O2' _chemical_formula_weight 514.64 _space_group_crystal_system monoclinic _space_group_IT_number 4 _space_group_name_Hall 'P 2yb' _space_group_name_H-M_alt 'P 1 21 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _audit_creation_date 2023-10-10 _audit_creation_method ; Olex2 1.5 (compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817) ; _audit_update_record ; 2023-11-22 deposited with the CCDC. 2024-07-22 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 94.633(2) _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 10.8233(6) _cell_length_b 7.0541(4) _cell_length_c 18.1771(10) _cell_measurement_reflns_used 9975 _cell_measurement_temperature 193.00 _cell_measurement_theta_max 68.275 _cell_measurement_theta_min 4.938 _cell_volume 1383.26(13) _computing_cell_refinement 'SAINT V8.40B (?, 2016)' _computing_data_reduction 'SAINT V8.40B (?, 2016)' _computing_molecular_graphics 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _diffrn_ambient_temperature 193.00 _diffrn_measured_fraction_theta_full 0.990 _diffrn_measured_fraction_theta_max 0.990 _diffrn_measurement_device_type 'Bruker D8 VENTURE' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54178 _diffrn_reflns_av_R_equivalents 0.0372 _diffrn_reflns_av_unetI/netI 0.0332 _diffrn_reflns_Laue_measured_fraction_full 0.990 _diffrn_reflns_Laue_measured_fraction_max 0.990 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_k_max 8 _diffrn_reflns_limit_k_min -8 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_number 25438 _diffrn_reflns_point_group_measured_fraction_full 0.984 _diffrn_reflns_point_group_measured_fraction_max 0.983 _diffrn_reflns_theta_full 67.679 _diffrn_reflns_theta_max 68.273 _diffrn_reflns_theta_min 2.439 _diffrn_source_current 1.1 _diffrn_source_power 0.05500000000000001 _diffrn_source_voltage 50.0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 0.596 _exptl_absorpt_correction_T_max 0.7531 _exptl_absorpt_correction_T_min 0.6287 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1362 before and 0.0557 after correction. The Ratio of minimum to maximum transmission is 0.8348. The \l/2 correction factor is Not present. ; _exptl_crystal_density_diffrn 1.236 _exptl_crystal_description block _exptl_crystal_F_000 548 _exptl_crystal_size_max 0.13 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.1 _refine_diff_density_max 0.175 _refine_diff_density_min -0.227 _refine_diff_density_rms 0.053 _refine_ls_abs_structure_details ; Flack x determined using 2233 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack 0.06(4) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.088 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 356 _refine_ls_number_reflns 5006 _refine_ls_number_restraints 2 _refine_ls_restrained_S_all 1.088 _refine_ls_R_factor_all 0.0321 _refine_ls_R_factor_gt 0.0319 _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^)+(0.0488P)^2^+0.1367P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0804 _refine_ls_wR_factor_ref 0.0807 _reflns_Friedel_coverage 0.825 _reflns_Friedel_fraction_full 0.976 _reflns_Friedel_fraction_max 0.974 _reflns_number_gt 4967 _reflns_number_total 5006 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d4sc01837k2.cif _cod_data_source_block cu_20231007_ys_zyx_1_121_1g_0m _cod_depositor_comments ; The following automatic conversions were performed: data item '_chemical_absolute_configuration' value 'AD' was changed to 'ad' in accordance with the /home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic dictionary named 'cif_core.dic' version 2.4.2 last updated on 2011-04-26. Automatic conversion script Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas ; _cod_database_code 1572154 _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 0.943 _shelx_estimated_absorpt_t_min 0.927 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups At 1.5 times of: All C(H,H,H) groups 2. Rigid bond restraints C13, C14 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.01 3.a Ternary CH refined with riding coordinates: C17(H17), C19(H19), C20(H20), C21(H21), C22(H22) 3.b Secondary CH2 refined with riding coordinates: C18(H18a,H18b), C23(H23a,H23b) 3.c Aromatic/amide H refined with riding coordinates: C1(H1), C2(H2), C3(H3), C4(H4), C9(H9), C10(H10), C13(H13), C14(H14), C15(H15), C27(H27), C28(H28), C29(H29), C30(H30) 3.d Idealised Me refined as rotating group: C16(H16a,H16b,H16c), C33(H33a,H33b,H33c), C34(H34a,H34b,H34c), C35(H35a,H35b, H35c) ; _shelx_res_file ; TITL cu_20231007_ys_zyx_1_121_1g_0m_a.res in P2(1) cu_20231007_ys_zyx_1_121_1g_0m.res created by SHELXL-2018/3 at 11:06:15 on 10-Oct-2023 REM Old TITL cu_20231007_YS_ZYX_1_121_1G_0m in P2(1) REM SHELXT solution in P2(1): R1 0.107, Rweak 0.031, Alpha 0.005 REM 2.596 for 4 systematic absences, Orientation as input REM Flack x = 0.082 ( 0.040 ) from 2246 Parsons' quotients REM Formula found by SHELXT: C35 N2 O2 CELL 1.54178 10.8233 7.0541 18.1771 90 94.633 90 ZERR 2 0.0006 0.0004 0.001 0 0.002 0 LATT -1 SYMM -X,0.5+Y,-Z SFAC C H N O UNIT 70 68 4 4 DELU 0.005 0.01 C13 C14 L.S. 4 0 0 PLAN 2 SIZE 0.1 0.12 0.13 TEMP -80.15 CONF BOND list 4 MORE -1 BOND $H fmap 2 53 acta REM REM REM WGHT 0.048800 0.136700 FVAR 0.98055 O1 4 0.528576 0.269156 0.340855 11.00000 0.03941 0.03479 = 0.03626 0.00655 -0.00498 -0.01478 O2 4 0.842537 0.690777 0.359848 11.00000 0.02884 0.03605 = 0.03678 -0.00026 -0.00008 -0.00935 N1 3 0.137367 0.702627 0.192041 11.00000 0.03296 0.05208 = 0.03003 -0.00297 0.00293 -0.00300 N2 3 0.689400 0.472377 0.376415 11.00000 0.02570 0.02563 = 0.02563 -0.00051 0.00116 -0.00384 C1 1 0.091868 0.518466 0.007344 11.00000 0.03643 0.04062 = 0.03446 -0.00070 -0.00333 0.00160 AFIX 43 H1 2 0.049666 0.473781 0.047782 11.00000 -1.20000 AFIX 0 C2 1 0.039751 0.493280 -0.063104 11.00000 0.04222 0.04602 = 0.04445 -0.00549 -0.01035 0.00243 AFIX 43 H2 2 -0.037244 0.428861 -0.071097 11.00000 -1.20000 AFIX 0 C3 1 0.098937 0.561670 -0.123592 11.00000 0.05180 0.05020 = 0.03139 -0.00683 -0.01311 0.01008 AFIX 43 H3 2 0.061449 0.544298 -0.172203 11.00000 -1.20000 AFIX 0 C4 1 0.209923 0.652911 -0.113052 11.00000 0.05396 0.04201 = 0.02645 -0.00019 -0.00176 0.01130 AFIX 43 H4 2 0.248641 0.700230 -0.154390 11.00000 -1.20000 AFIX 0 C5 1 0.268468 0.678058 -0.040696 11.00000 0.04132 0.03055 = 0.02609 -0.00062 -0.00001 0.00786 C6 1 0.208445 0.610703 0.020840 11.00000 0.03304 0.02764 = 0.02873 0.00006 -0.00262 0.00573 C7 1 0.266700 0.637800 0.093391 11.00000 0.03091 0.02837 = 0.02620 0.00199 -0.00026 0.00314 C8 1 0.380241 0.728167 0.104833 11.00000 0.03116 0.02508 = 0.02823 0.00192 0.00036 0.00161 C9 1 0.439119 0.789928 0.042193 11.00000 0.03595 0.03702 = 0.03259 0.00345 0.00353 -0.00416 AFIX 43 H9 2 0.518182 0.848697 0.049083 11.00000 -1.20000 AFIX 0 C10 1 0.385190 0.767178 -0.027788 11.00000 0.04487 0.03819 = 0.02897 0.00514 0.00821 0.00191 AFIX 43 H10 2 0.426778 0.811960 -0.068451 11.00000 -1.20000 AFIX 0 C11 1 0.199512 0.568269 0.157260 11.00000 0.02691 0.03802 = 0.02785 0.00442 -0.00522 -0.00427 C12 1 0.199815 0.376509 0.176941 11.00000 0.03389 0.04122 = 0.04547 0.01357 -0.01116 -0.00744 C13 1 0.133496 0.328994 0.237664 11.00000 0.05421 0.06563 = 0.05173 0.03086 -0.01841 -0.02663 AFIX 43 H13 2 0.132267 0.201316 0.254215 11.00000 -1.20000 AFIX 0 C14 1 0.069972 0.466667 0.273543 11.00000 0.05166 0.09764 = 0.03383 0.00875 0.00373 -0.03094 AFIX 43 H14 2 0.024847 0.435152 0.314555 11.00000 -1.20000 AFIX 0 C15 1 0.073717 0.648888 0.248578 11.00000 0.03832 0.08210 = 0.03331 -0.00616 0.00680 -0.01573 AFIX 43 H15 2 0.028638 0.742702 0.272682 11.00000 -1.20000 AFIX 0 C16 1 0.263694 0.228402 0.134786 11.00000 0.05068 0.03304 = 0.08727 0.00798 -0.01335 -0.00132 AFIX 137 H16A 2 0.215554 0.204199 0.087725 11.00000 -1.50000 H16B 2 0.270635 0.111081 0.163700 11.00000 -1.50000 H16C 2 0.346698 0.272995 0.125345 11.00000 -1.50000 AFIX 0 C17 1 0.438416 0.754426 0.183365 11.00000 0.03101 0.02930 = 0.02614 -0.00032 0.00108 -0.00053 AFIX 13 H17 2 0.370627 0.781954 0.216074 11.00000 -1.20000 AFIX 0 C18 1 0.540086 0.911195 0.196468 11.00000 0.04057 0.02636 = 0.03252 0.00268 -0.00561 -0.00282 AFIX 23 H18A 2 0.557511 0.972349 0.149388 11.00000 -1.20000 H18B 2 0.513872 1.009477 0.230838 11.00000 -1.20000 AFIX 0 C19 1 0.654370 0.803410 0.230203 11.00000 0.03026 0.02982 = 0.02880 0.00261 0.00181 -0.00626 AFIX 13 H19 2 0.735280 0.868840 0.225382 11.00000 -1.20000 AFIX 0 C20 1 0.629421 0.748828 0.309605 11.00000 0.02902 0.02515 = 0.02466 -0.00219 0.00096 -0.00202 AFIX 13 H20 2 0.602402 0.860338 0.338252 11.00000 -1.20000 AFIX 0 C21 1 0.525716 0.597635 0.298088 11.00000 0.02529 0.03042 = 0.02410 0.00045 0.00345 -0.00265 AFIX 13 H21 2 0.447351 0.642622 0.317957 11.00000 -1.20000 AFIX 0 C22 1 0.509044 0.574917 0.213381 11.00000 0.03040 0.02637 = 0.02448 -0.00103 0.00009 -0.00356 AFIX 13 H22 2 0.471698 0.451726 0.195782 11.00000 -1.20000 AFIX 0 C23 1 0.640876 0.611277 0.191095 11.00000 0.03185 0.03355 = 0.02492 -0.00153 0.00574 0.00068 AFIX 23 H23A 2 0.701433 0.516261 0.211755 11.00000 -1.20000 H23B 2 0.644639 0.621324 0.136997 11.00000 -1.20000 AFIX 0 C24 1 0.575606 0.424347 0.339088 11.00000 0.02693 0.03093 = 0.02274 -0.00025 0.00268 -0.00425 C25 1 0.735548 0.643311 0.350628 11.00000 0.03052 0.02517 = 0.02256 -0.00395 0.00333 -0.00368 C26 1 0.765909 0.341102 0.420524 11.00000 0.02280 0.02258 = 0.03146 -0.00101 0.00071 -0.00364 C27 1 0.833668 0.213651 0.381877 11.00000 0.03201 0.02997 = 0.03530 -0.00667 0.00463 -0.00314 AFIX 43 H27 2 0.824984 0.213936 0.329451 11.00000 -1.20000 AFIX 0 C28 1 0.913900 0.085841 0.418711 11.00000 0.03102 0.02558 = 0.05474 -0.00849 0.00791 -0.00001 AFIX 43 H28 2 0.960630 -0.000836 0.392133 11.00000 -1.20000 AFIX 0 C29 1 0.924361 0.087399 0.495036 11.00000 0.02928 0.02427 = 0.05336 0.00258 -0.00123 0.00058 AFIX 43 H29 2 0.979428 0.001864 0.521381 11.00000 -1.20000 AFIX 0 C30 1 0.855187 0.212606 0.533078 11.00000 0.02913 0.02539 = 0.03733 0.00408 -0.00015 -0.00139 AFIX 43 H30 2 0.863506 0.209190 0.585491 11.00000 -1.20000 AFIX 0 C31 1 0.773415 0.344331 0.498319 11.00000 0.02243 0.02100 = 0.03042 -0.00001 0.00217 -0.00469 C32 1 0.697887 0.478674 0.544408 11.00000 0.02651 0.02662 = 0.02621 -0.00024 0.00143 -0.00115 C33 1 0.558475 0.440153 0.528057 11.00000 0.02670 0.03328 = 0.03377 -0.00318 0.00572 -0.00315 AFIX 137 H33A 2 0.535044 0.461794 0.475522 11.00000 -1.50000 H33B 2 0.511137 0.525683 0.557650 11.00000 -1.50000 H33C 2 0.540432 0.308441 0.540583 11.00000 -1.50000 AFIX 0 C34 1 0.727151 0.688128 0.529637 11.00000 0.03121 0.02650 = 0.03855 -0.00440 0.00531 -0.00108 AFIX 137 H34A 2 0.817130 0.707193 0.534403 11.00000 -1.50000 H34B 2 0.688801 0.768243 0.565503 11.00000 -1.50000 H34C 2 0.694153 0.722306 0.479602 11.00000 -1.50000 AFIX 0 C35 1 0.727726 0.446710 0.627486 11.00000 0.03972 0.04484 = 0.02802 -0.00142 0.00181 0.00235 AFIX 137 H35A 2 0.713286 0.313443 0.639384 11.00000 -1.50000 H35B 2 0.674217 0.527521 0.655157 11.00000 -1.50000 H35C 2 0.814723 0.478761 0.640952 11.00000 -1.50000 AFIX 0 HKLF 4 REM cu_20231007_ys_zyx_1_121_1g_0m_a.res in P2(1) REM wR2 = 0.0807, GooF = S = 1.088, Restrained GooF = 1.088 for all data REM R1 = 0.0319 for 4967 Fo > 4sig(Fo) and 0.0321 for all 5006 data REM 356 parameters refined using 2 restraints END WGHT 0.0487 0.1373 REM Highest difference peak 0.175, deepest hole -0.227, 1-sigma level 0.053 Q1 1 0.2166 0.1080 0.1344 11.00000 0.05 0.17 Q2 1 0.7337 0.0644 0.3283 11.00000 0.05 0.16 ; _shelx_res_checksum 96438 _shelx_hkl_file ; 1 0 0 790.12 31.70 3 0 0 2263.27 90.89 -4 0 0 183.98 7.60 4 0 0 172.88 9.70 -4 0 0 173.08 7.50 -5 0 0 560.14 23.20 5 0 0 591.54 26.20 6 0 0 365.76 18.30 -6 0 0 315.17 13.70 -6 0 0 335.77 13.60 -6 0 0 299.67 12.90 -7 0 0 6.70 0.50 7 0 0 7.80 6.70 7 0 0 8.20 0.80 7 0 0 8.00 0.60 -7 0 0 8.10 1.40 -7 0 0 7.70 0.60 -7 0 0 8.20 0.60 -7 0 0 7.40 1.20 -7 0 0 6.90 0.60 7 0 0 7.40 0.50 -8 0 0 6.60 1.50 -8 0 0 9.60 0.70 8 0 0 8.60 0.70 8 0 0 9.00 0.80 8 0 0 8.70 0.70 8 0 0 10.30 9.90 8 0 0 9.50 0.70 9 0 0 41.90 2.10 -9 0 0 44.10 3.70 9 0 0 39.00 4.00 9 0 0 38.30 1.90 9 0 0 41.40 1.90 -9 0 0 38.80 1.90 -9 0 0 39.70 3.10 -10 0 0 75.39 3.30 -10 0 0 72.29 5.50 -10 0 0 77.29 5.30 10 0 0 78.99 3.40 -10 0 0 79.59 3.50 10 0 0 74.79 3.50 10 0 0 76.69 3.50 -11 0 0 106.99 4.70 11 0 0 107.29 4.70 11 0 0 106.69 4.50 12 0 0 9.60 0.70 -12 0 0 9.50 0.80 12 0 0 8.90 0.80 13 0 0 16.70 0.90 0 -1 0 0.20 0.20 0 1 0 0.00 1.30 -1 1 0 1769.82 67.69 1 1 0 1596.84 67.69 -2 1 0 9999.00 395.36 3 -1 0 2747.03 109.49 3 1 0 2722.13 110.19 -4 -1 0 1298.87 50.79 4 1 0 1249.97 53.59 -5 -1 0 1120.89 43.60 5 -1 0 1024.60 45.90 5 1 0 1077.29 48.30 -5 1 0 1117.99 43.40 6 -1 0 760.42 34.70 -6 -1 0 791.12 32.00 6 1 0 717.43 36.40 -6 1 0 797.62 31.10 -7 -1 0 81.09 3.40 7 -1 0 71.89 3.20 -7 -1 0 76.29 3.30 7 -1 0 66.49 9.50 7 -1 0 78.99 3.20 7 -1 0 70.79 3.10 7 -1 0 71.29 5.00 -7 -1 0 73.19 4.10 -7 -1 0 73.09 4.10 -7 -1 0 63.39 3.50 7 -1 0 70.79 3.10 -7 -1 0 73.19 3.10 -7 1 0 69.69 3.00 -7 1 0 72.39 3.90 7 1 0 78.59 3.10 -7 1 0 72.09 3.20 7 1 0 68.69 3.10 7 1 0 65.59 11.40 -7 1 0 68.09 3.90 -8 -1 0 193.88 8.60 8 -1 0 185.68 7.60 8 -1 0 197.68 12.20 8 -1 0 184.58 7.70 8 -1 0 193.18 18.20 -8 -1 0 186.28 8.70 -8 -1 0 181.18 7.50 8 -1 0 180.38 7.50 -8 -1 0 195.28 9.10 8 -1 0 180.98 7.50 8 1 0 179.28 7.50 8 1 0 181.78 7.70 8 1 0 189.98 7.60 -8 1 0 173.78 8.70 -8 1 0 176.08 7.60 8 1 0 179.58 7.50 -8 1 0 188.78 7.60 8 1 0 188.28 9.70 -8 1 0 167.98 7.40 -8 1 0 181.08 8.60 -9 -1 0 150.28 7.90 9 -1 0 150.38 6.40 9 -1 0 139.79 6.20 9 -1 0 151.68 6.30 9 -1 0 151.98 6.40 -9 -1 0 154.78 7.90 -9 1 0 158.08 7.80 -9 1 0 163.38 6.40 9 1 0 145.09 6.30 -9 1 0 147.59 7.70 -9 1 0 161.08 6.40 9 1 0 154.98 8.90 9 1 0 149.69 6.50 9 1 0 151.78 6.40 9 1 0 142.19 6.20 9 1 0 146.49 6.30 10 -1 0 77.99 3.40 -10 -1 0 72.79 5.60 10 -1 0 72.59 3.40 -10 -1 0 74.79 3.50 -10 -1 0 87.99 5.60 10 -1 0 77.29 3.30 -10 1 0 71.49 3.30 10 1 0 71.79 3.40 10 1 0 67.79 3.20 -10 1 0 78.09 3.40 -10 1 0 77.59 5.70 10 1 0 76.09 3.30 11 -1 0 1.60 0.40 11 -1 0 0.90 0.30 -11 -1 0 1.80 0.40 -11 1 0 1.50 0.40 11 1 0 1.70 0.50 11 1 0 1.30 0.40 12 -1 0 48.20 2.30 12 -1 0 53.99 2.30 12 1 0 46.80 2.30 -12 1 0 49.40 2.30 12 1 0 47.90 2.20 0 2 0 3171.58 127.49 -1 2 0 2334.07 89.89 1 2 0 2092.09 89.99 -2 2 0 1978.00 74.49 2 2 0 1653.83 74.69 -3 -2 0 783.92 31.20 3 -2 0 803.02 31.10 3 2 0 700.53 34.60 -3 2 0 811.72 33.90 4 -2 0 587.84 25.10 -4 -2 0 567.04 23.00 -4 2 0 535.25 22.70 4 2 0 565.14 27.80 -5 -2 0 1116.39 44.00 5 -2 0 1044.00 46.50 -5 2 0 1114.99 43.70 -6 -2 0 73.69 4.20 -6 -2 0 77.99 3.20 -6 -2 0 72.29 3.40 6 -2 0 69.79 3.20 6 -2 0 72.09 5.10 -6 -2 0 73.49 3.40 -6 2 0 74.59 3.30 -6 2 0 72.99 3.10 6 2 0 74.99 3.20 6 2 0 77.29 3.20 6 2 0 67.39 12.10 -6 2 0 77.99 3.80 -6 2 0 78.99 3.90 6 2 0 81.29 4.40 7 -2 0 242.28 10.80 7 -2 0 240.08 13.40 -7 -2 0 279.87 11.10 7 -2 0 277.37 17.30 -7 -2 0 278.17 11.10 7 -2 0 252.87 10.80 -7 -2 0 276.77 12.20 7 -2 0 265.57 10.80 -7 -2 0 271.17 12.00 -7 2 0 277.07 11.70 7 2 0 287.47 11.20 7 2 0 284.97 34.50 7 2 0 272.97 10.90 -7 2 0 276.07 11.80 7 2 0 265.07 10.90 -7 2 0 265.67 10.70 -8 -2 0 568.14 23.20 8 -2 0 625.94 32.30 8 -2 0 544.05 22.90 -8 -2 0 574.74 24.40 -8 2 0 618.24 24.10 8 2 0 538.85 23.20 9 -2 0 356.56 13.70 -9 -2 0 331.47 15.20 9 -2 0 333.67 13.50 -9 -2 0 347.67 13.80 9 -2 0 339.17 13.70 9 -2 0 297.57 28.40 9 2 0 318.97 13.60 -9 2 0 337.07 13.70 9 2 0 328.67 13.60 9 2 0 335.77 13.60 9 2 0 329.77 13.80 -9 2 0 331.97 15.00 9 2 0 330.27 16.20 -9 2 0 365.56 13.70 10 -2 0 304.17 11.80 -10 -2 0 272.87 13.70 10 -2 0 323.77 11.90 -10 -2 0 303.67 12.10 10 -2 0 281.77 11.90 -10 -2 0 267.77 13.60 10 2 0 279.57 11.80 10 2 0 294.97 11.90 -10 2 0 282.77 11.80 10 2 0 291.27 11.70 10 2 0 299.77 11.80 10 2 0 302.97 12.10 10 2 0 281.97 11.80 -11 -2 0 89.29 3.90 11 -2 0 84.19 3.80 11 -2 0 90.99 3.70 11 2 0 84.19 3.90 11 2 0 81.59 3.60 11 2 0 96.49 3.70 -11 2 0 87.19 3.80 11 2 0 79.59 3.80 -12 -2 0 18.40 1.10 12 -2 0 17.40 1.00 12 -2 0 17.70 1.00 12 2 0 18.00 0.90 -12 2 0 17.80 1.00 12 2 0 18.50 1.10 0 -3 0 -0.10 0.40 0 -3 0 0.00 0.50 0 3 0 -0.10 0.20 0 3 0 -7.30 5.10 0 3 0 0.40 0.20 -1 -3 0 574.54 23.60 1 -3 0 601.34 23.50 1 3 0 579.04 27.90 -1 3 0 563.14 27.30 2 -3 0 356.86 14.60 -2 -3 0 337.97 14.90 -2 -3 0 342.77 14.70 -2 3 0 380.06 18.70 2 3 0 335.07 19.90 2 3 0 368.86 14.10 3 -3 0 609.74 24.70 -3 -3 0 605.94 24.90 -3 3 0 649.43 30.20 3 3 0 568.24 30.50 -4 -3 0 823.42 36.40 4 -3 0 964.70 36.20 -4 3 0 952.40 40.80 4 3 0 843.12 45.60 -5 -3 0 389.66 17.00 -5 -3 0 370.06 16.70 -5 -3 0 399.06 15.90 5 -3 0 406.96 19.90 5 -3 0 417.86 15.80 5 -3 0 398.36 18.70 5 -3 0 388.46 15.60 -5 3 0 368.96 16.40 5 3 0 413.46 29.00 -5 3 0 386.86 16.30 -5 3 0 392.36 15.60 6 -3 0 169.28 10.30 -6 -3 0 186.88 9.10 -6 -3 0 184.48 7.90 -6 -3 0 201.88 9.20 -6 -3 0 178.38 8.90 6 -3 0 193.78 13.60 6 -3 0 199.48 7.90 6 -3 0 183.08 7.60 6 -3 0 187.88 7.70 -6 -3 0 193.68 8.00 6 -3 0 197.28 7.80 6 3 0 193.38 8.00 -6 3 0 189.88 7.60 6 3 0 188.58 7.80 -6 3 0 189.58 8.50 -6 3 0 182.48 8.80 6 3 0 190.18 7.80 -6 3 0 192.58 7.90 6 3 0 192.48 7.70 -7 -3 0 159.98 8.60 -7 -3 0 169.18 7.30 -7 -3 0 180.48 8.60 7 -3 0 189.08 15.70 7 -3 0 185.18 7.10 7 -3 0 167.68 7.20 7 -3 0 167.58 7.00 -7 -3 0 159.38 8.60 7 -3 0 172.88 7.00 -7 -3 0 170.78 7.40 7 3 0 175.88 7.10 7 3 0 175.28 7.00 7 3 0 182.28 8.80 -7 3 0 167.98 6.90 -7 3 0 171.78 8.10 7 3 0 150.98 7.00 -7 3 0 177.58 7.20 7 3 0 170.48 7.40 -8 -3 0 11.30 2.20 8 -3 0 14.20 0.90 8 -3 0 13.50 0.90 -8 -3 0 16.60 2.00 -8 -3 0 13.20 2.10 -8 -3 0 14.00 1.30 8 -3 0 14.50 0.90 8 -3 0 14.70 1.00 8 3 0 13.80 1.00 8 3 0 15.00 0.90 -8 3 0 14.10 1.00 8 3 0 13.60 1.20 8 3 0 15.20 2.20 8 3 0 13.40 1.00 -8 3 0 14.10 0.70 9 -3 0 376.26 14.80 9 -3 0 403.06 32.40 -9 -3 0 352.16 16.70 -9 -3 0 350.16 16.60 9 -3 0 364.16 14.90 9 -3 0 375.16 14.90 -9 -3 0 372.16 15.10 9 3 0 369.36 14.80 9 3 0 373.86 14.70 9 3 0 380.56 14.80 9 3 0 367.66 14.90 -9 3 0 368.06 14.90 9 3 0 373.26 14.80 9 3 0 341.47 15.10 -10 -3 0 18.00 1.30 10 -3 0 19.60 1.10 -10 -3 0 19.00 4.50 10 -3 0 18.50 1.00 10 3 0 17.10 1.00 10 3 0 17.00 1.10 10 3 0 17.30 0.90 -10 3 0 17.50 1.10 10 3 0 16.60 1.00 10 3 0 18.10 1.30 11 -3 0 38.30 1.70 11 -3 0 40.00 1.90 -11 -3 0 37.80 1.90 11 3 0 36.40 1.90 -11 3 0 38.20 1.90 11 3 0 39.90 1.80 11 3 0 38.30 1.60 11 3 0 36.20 1.70 11 3 0 32.70 1.80 -12 -3 0 38.50 1.80 12 -3 0 39.00 1.70 12 -3 0 39.00 1.80 12 3 0 41.20 2.00 -12 3 0 40.10 1.80 0 -4 0 346.07 15.00 0 -4 0 331.07 14.20 0 4 0 341.17 13.50 0 4 0 320.17 24.30 -1 -4 0 125.59 6.90 -1 -4 0 118.09 6.00 1 -4 0 125.59 6.00 1 4 0 131.39 5.30 -1 4 0 131.59 5.40 1 4 0 125.09 6.80 -1 4 0 131.59 5.30 -1 4 0 136.79 5.30 1 4 0 122.69 17.10 -1 4 0 126.39 16.50 1 4 0 131.99 5.30 -1 4 0 120.89 6.90 1 4 0 129.69 5.20 1 4 0 132.59 5.30 -1 4 0 126.49 5.20 2 -4 0 848.92 32.30 -2 -4 0 757.22 32.40 -2 4 0 774.82 38.00 -3 -4 0 287.87 12.20 3 -4 0 277.47 10.90 3 -4 0 275.17 11.80 3 -4 0 264.67 10.90 3 -4 0 290.17 11.00 -3 -4 0 274.87 11.30 -3 -4 0 261.97 12.10 -3 -4 0 249.88 11.80 -3 -4 0 259.57 11.10 -3 4 0 277.07 10.80 3 4 0 275.97 10.90 -3 4 0 258.87 10.80 -3 4 0 264.47 19.70 3 4 0 218.38 26.00 4 -4 0 317.57 12.50 -4 -4 0 286.37 13.60 -4 -4 0 305.37 12.80 4 -4 0 339.67 13.30 -4 -4 0 319.77 13.90 4 -4 0 308.37 12.50 -4 -4 0 302.27 12.70 4 -4 0 326.47 12.50 -4 -4 0 304.77 13.90 -4 4 0 300.17 12.30 -4 4 0 312.97 12.40 -4 4 0 304.37 21.10 -4 4 0 290.57 14.80 4 4 0 306.57 12.40 5 -4 0 27.50 6.20 -5 -4 0 16.40 1.30 -5 -4 0 18.60 2.50 -5 -4 0 19.50 1.40 5 -4 0 20.40 1.10 -5 -4 0 19.30 0.90 -5 -4 0 17.80 1.30 5 -4 0 19.60 1.10 -5 -4 0 20.10 2.30 -5 -4 0 19.60 1.30 5 -4 0 18.10 1.10 5 4 0 19.40 1.00 5 4 0 17.80 1.10 -5 4 0 17.10 0.90 -5 4 0 16.90 2.40 5 4 0 20.30 1.00 -5 4 0 19.10 0.90 5 4 0 21.30 2.20 -5 4 0 16.50 2.70 -5 4 0 19.00 1.20 5 4 0 20.00 1.20 6 -4 0 114.69 4.90 6 -4 0 120.99 5.10 -6 -4 0 107.19 6.50 -6 -4 0 128.49 7.10 -6 -4 0 116.19 5.60 6 -4 0 122.19 5.10 6 -4 0 120.69 5.00 -6 -4 0 119.49 5.40 -6 -4 0 106.59 6.40 6 -4 0 129.29 13.80 -6 -4 0 109.59 5.20 6 4 0 120.09 4.90 6 4 0 116.69 5.00 6 4 0 126.09 6.70 6 4 0 121.09 4.90 -6 4 0 116.79 4.80 -6 4 0 121.39 5.20 6 4 0 120.89 5.10 6 4 0 111.29 5.30 -7 -4 0 1078.09 45.30 7 -4 0 1184.48 50.79 -7 -4 0 1061.69 44.60 -7 4 0 1024.60 47.10 -8 -4 0 31.70 3.20 8 -4 0 41.30 1.80 -8 -4 0 37.80 2.10 -8 -4 0 34.70 2.10 8 -4 0 12.50 12.20 -8 -4 0 34.50 4.10 8 -4 0 36.40 1.70 8 -4 0 36.20 1.70 8 -4 0 39.30 1.70 8 4 0 36.60 1.90 8 4 0 34.60 3.30 -8 4 0 35.30 1.90 8 4 0 35.60 1.80 8 4 0 35.40 1.70 8 4 0 35.60 1.70 8 4 0 32.20 2.00 -9 -4 0 188.18 7.90 9 -4 0 186.78 7.60 9 -4 0 189.78 7.60 9 -4 0 184.48 7.50 9 4 0 181.68 7.60 9 4 0 184.68 7.70 9 4 0 181.38 7.60 9 4 0 185.98 7.90 -10 -4 0 81.99 3.80 10 -4 0 82.79 3.60 10 -4 0 88.49 3.60 -10 4 0 87.49 3.70 10 4 0 83.69 3.80 10 4 0 85.49 3.50 10 4 0 82.29 3.70 10 4 0 84.19 3.60 -11 -4 0 6.50 0.60 11 -4 0 6.20 0.50 11 -4 0 6.80 0.50 11 4 0 5.50 0.50 11 4 0 6.20 0.60 11 4 0 6.50 0.60 -11 4 0 6.70 0.50 0 -5 0 1.90 0.40 0 -5 0 1.80 0.30 0 5 0 1.90 0.50 -1 -5 0 184.68 7.40 -1 -5 0 163.58 8.50 1 -5 0 163.58 8.40 1 -5 0 182.38 7.40 1 -5 0 187.08 8.40 1 -5 0 184.18 7.40 -1 -5 0 174.08 7.50 1 -5 0 174.78 7.50 -1 -5 0 179.98 8.50 -1 -5 0 181.58 7.70 -1 -5 0 186.28 7.20 -1 5 0 182.18 7.30 -1 5 0 183.38 7.50 -1 5 0 179.88 7.30 1 5 0 184.28 7.40 1 5 0 167.48 7.60 1 5 0 185.18 9.50 -1 5 0 173.88 7.50 1 5 0 179.18 7.30 -1 5 0 173.68 7.40 1 5 0 179.58 7.30 1 5 0 184.28 7.40 1 5 0 187.28 7.40 -1 5 0 177.68 7.30 -1 5 0 169.08 9.60 -2 -5 0 26.10 2.60 -2 -5 0 26.90 1.50 2 -5 0 31.00 1.40 2 -5 0 26.00 1.50 2 -5 0 31.60 1.50 -2 -5 0 26.10 1.40 -2 -5 0 26.20 1.60 2 -5 0 27.20 2.50 2 -5 0 27.40 1.50 -2 -5 0 23.80 2.60 -2 -5 0 28.50 1.70 -2 5 0 26.30 1.30 2 5 0 28.30 1.50 -2 5 0 28.40 1.60 -2 5 0 27.60 1.40 -2 5 0 27.80 1.50 -2 5 0 27.40 1.40 -2 5 0 25.80 1.30 2 5 0 30.00 1.40 2 5 0 27.70 2.90 2 5 0 28.90 1.50 2 5 0 27.60 1.90 -2 5 0 27.10 3.10 2 5 0 29.20 1.40 -3 -5 0 464.95 21.90 -3 -5 0 508.45 20.60 3 -5 0 492.75 22.30 -3 -5 0 510.35 20.40 -3 -5 0 541.05 23.90 3 -5 0 552.34 21.70 -3 5 0 490.05 20.20 -3 5 0 464.95 23.10 3 5 0 515.55 20.30 -3 5 0 501.15 20.20 3 5 0 513.75 20.70 -3 5 0 558.84 20.60 4 -5 0 25.10 1.50 -4 -5 0 23.00 1.40 4 -5 0 27.00 1.40 4 -5 0 26.90 1.40 -4 -5 0 23.70 3.00 4 -5 0 29.80 2.50 4 -5 0 28.50 2.30 4 -5 0 25.80 1.30 -4 -5 0 25.70 1.80 -4 -5 0 23.90 2.60 -4 -5 0 25.70 2.20 -4 -5 0 26.60 1.60 -4 5 0 25.40 1.50 4 5 0 23.90 1.40 4 5 0 24.80 2.70 4 5 0 26.00 1.30 4 5 0 23.80 1.60 4 5 0 28.10 1.40 -4 5 0 24.50 1.20 -4 5 0 25.70 1.20 -4 5 0 23.90 1.20 -4 5 0 22.50 3.20 -4 5 0 24.50 1.20 4 5 0 24.60 1.40 4 5 0 25.90 1.50 -5 -5 0 151.38 6.80 5 -5 0 123.89 13.80 -5 -5 0 144.09 6.30 -5 -5 0 140.29 6.10 -5 -5 0 153.08 6.40 -5 -5 0 136.89 7.80 -5 -5 0 127.79 7.60 5 -5 0 148.49 6.10 5 -5 0 162.08 6.00 5 5 0 150.88 6.20 -5 5 0 149.29 5.90 -5 5 0 144.99 6.30 5 5 0 128.69 6.30 5 5 0 153.28 8.10 -5 5 0 131.89 8.90 5 5 0 150.68 6.10 5 5 0 153.08 6.20 5 5 0 142.39 6.10 6 -5 0 159.78 20.70 -6 -5 0 178.18 7.70 -6 -5 0 175.78 7.90 6 -5 0 173.78 7.50 6 -5 0 190.08 7.50 -6 -5 0 166.38 9.30 -6 -5 0 180.48 7.80 6 5 0 185.78 7.50 -6 5 0 177.88 7.30 6 5 0 185.08 7.60 6 5 0 172.68 7.80 6 5 0 190.78 7.50 6 5 0 184.78 7.60 6 5 0 196.48 9.70 6 5 0 180.88 7.40 -6 5 0 181.48 7.70 7 -5 0 22.20 1.40 -7 -5 0 22.00 1.60 7 -5 0 23.10 1.20 -7 -5 0 22.50 1.40 -7 -5 0 23.40 1.70 -7 -5 0 24.90 3.90 7 -5 0 21.80 12.30 -7 -5 0 20.20 4.10 7 5 0 26.40 1.50 7 5 0 23.20 1.30 7 5 0 21.50 1.50 7 5 0 24.70 1.30 -7 5 0 20.90 1.10 7 5 0 23.10 1.40 7 5 0 23.70 1.30 -7 5 0 22.90 1.40 7 5 0 24.80 2.80 8 -5 0 46.70 2.10 8 -5 0 49.30 2.10 8 -5 0 46.00 2.20 -8 -5 0 44.70 2.40 8 5 0 47.10 2.20 8 5 0 48.00 2.50 8 5 0 53.89 2.30 8 5 0 46.00 2.30 8 5 0 47.30 2.20 9 -5 0 190.88 7.80 9 -5 0 199.48 7.90 -9 -5 0 194.18 8.10 9 -5 0 192.18 7.80 9 5 0 194.28 7.80 9 5 0 188.68 7.90 9 5 0 190.08 8.10 9 5 0 193.28 7.80 -10 -5 0 6.70 0.60 10 -5 0 5.90 0.40 10 -5 0 7.20 0.50 10 5 0 5.80 0.50 10 5 0 7.10 0.70 -10 5 0 6.70 0.50 10 5 0 6.50 0.50 0 -6 0 96.19 4.10 0 -6 0 93.39 5.50 0 -6 0 96.89 4.10 0 -6 0 94.09 4.20 0 -6 0 87.59 5.40 0 6 0 100.69 4.10 0 6 0 89.89 4.00 0 6 0 100.49 4.20 0 6 0 87.49 4.20 0 6 0 91.39 4.10 0 6 0 92.99 4.10 1 -6 0 580.04 24.50 1 -6 0 553.74 24.70 -1 -6 0 601.14 25.00 -1 -6 0 579.84 24.60 -1 -6 0 582.74 23.30 1 6 0 585.74 23.50 -1 6 0 589.34 23.50 -2 -6 0 492.45 20.30 -2 -6 0 486.55 21.80 -2 -6 0 536.15 20.40 -2 -6 0 514.15 20.90 2 6 0 508.15 23.10 2 6 0 490.85 20.60 -2 6 0 500.85 24.30 -2 6 0 514.95 20.50 -2 6 0 563.34 20.60 -2 6 0 470.75 20.20 3 -6 0 250.17 10.90 -3 -6 0 230.48 9.60 3 -6 0 238.98 9.70 -3 -6 0 230.58 10.10 3 -6 0 249.88 9.70 -3 -6 0 232.78 9.80 -3 -6 0 212.68 11.20 -3 -6 0 249.68 10.00 3 -6 0 246.38 11.00 -3 -6 0 230.48 11.20 3 6 0 240.68 12.10 3 6 0 237.68 9.60 -3 6 0 242.58 9.50 3 6 0 243.88 9.60 3 6 0 230.88 9.70 3 6 0 240.38 9.60 3 6 0 240.88 9.70 -3 6 0 233.78 9.80 -3 6 0 242.78 9.50 -3 6 0 230.28 9.40 -3 6 0 213.28 9.40 -3 6 0 209.68 12.60 3 6 0 220.38 9.90 -4 -6 0 124.69 6.00 -4 -6 0 133.49 5.70 -4 -6 0 135.39 5.80 -4 -6 0 127.69 5.50 -4 -6 0 120.39 7.20 -4 -6 0 119.09 7.10 4 -6 0 131.99 5.50 -4 6 0 130.79 5.30 4 6 0 132.09 7.70 4 6 0 133.59 5.50 4 6 0 135.79 5.70 4 6 0 135.69 5.50 4 6 0 121.89 5.70 -4 6 0 127.89 5.60 4 6 0 133.59 5.50 4 6 0 131.69 5.50 -5 -6 0 25.80 1.70 5 -6 0 8.60 10.80 -5 -6 0 22.00 1.70 -5 -6 0 20.30 3.70 -5 -6 0 22.20 2.60 5 -6 0 27.20 1.40 5 6 0 24.20 1.30 5 6 0 24.70 1.40 5 6 0 22.90 1.40 5 6 0 23.50 1.50 5 6 0 27.00 1.30 5 6 0 24.10 1.30 5 6 0 25.50 3.30 -5 6 0 24.40 1.10 -5 6 0 24.60 1.50 6 -6 0 7.50 0.60 -6 -6 0 4.50 2.50 -6 -6 0 7.80 0.90 6 -6 0 8.00 0.60 6 6 0 8.00 0.70 6 6 0 7.60 0.70 6 6 0 7.80 0.70 6 6 0 8.10 0.80 6 6 0 6.70 0.80 7 -6 0 31.80 1.60 7 -6 0 33.30 1.60 -7 -6 0 33.80 1.80 7 6 0 32.60 1.50 7 6 0 29.70 1.80 7 6 0 33.60 1.60 8 -6 0 43.40 1.90 -8 -6 0 38.90 2.20 8 -6 0 46.70 2.00 8 6 0 39.80 2.10 8 6 0 44.60 1.90 8 6 0 44.30 1.90 8 6 0 44.20 2.10 9 -6 0 15.30 0.80 -9 -6 0 15.10 0.90 -9 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73.39 3.70 6 4 -9 81.19 3.70 6 4 -9 75.29 3.70 6 4 -9 81.59 3.50 -5 -4 9 305.17 13.10 -5 -4 9 289.57 13.30 5 -4 -9 321.87 13.10 5 -4 -9 343.57 16.20 5 -4 -9 321.87 13.10 5 4 -9 321.17 13.30 5 4 -9 339.47 13.10 5 4 -9 332.97 13.00 5 4 -9 302.87 23.30 5 4 -9 330.67 13.10 5 4 -9 331.07 13.00 4 -4 -9 74.59 3.20 -4 -4 9 78.09 3.40 4 -4 -9 74.19 3.40 4 -4 -9 75.89 3.30 4 -4 -9 74.89 3.40 4 -4 -9 86.89 6.30 -4 -4 9 70.09 3.40 4 4 -9 79.39 3.60 -4 4 9 76.09 3.20 4 4 -9 72.09 3.50 4 4 -9 76.09 3.30 4 4 -9 74.89 3.30 4 4 -9 79.19 3.40 4 4 -9 76.09 3.40 4 4 -9 61.09 10.80 -3 -4 9 166.28 6.70 3 -4 -9 172.08 8.40 3 -4 -9 147.79 6.80 3 -4 -9 153.18 6.80 -3 -4 9 168.58 6.80 3 -4 -9 159.48 6.70 3 -4 -9 154.28 6.40 3 4 -9 161.88 6.60 3 4 -9 139.59 15.20 3 4 -9 172.18 6.70 3 4 -9 143.89 7.10 3 4 -9 165.78 6.70 3 4 -9 163.38 6.60 -3 4 9 156.18 6.60 2 -4 -9 124.79 5.40 2 -4 -9 128.99 5.40 2 -4 -9 116.89 5.30 2 -4 -9 128.19 5.30 -2 -4 9 129.29 5.40 2 -4 -9 126.39 5.10 2 -4 -9 123.89 5.50 -2 -4 9 131.99 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40.60 2.00 1 4 9 39.60 1.90 1 4 9 38.60 1.80 -1 4 -9 41.00 1.80 -1 4 -9 41.10 1.80 -1 4 -9 40.70 2.20 -2 -4 -9 42.30 2.20 -2 -4 -9 34.10 2.70 -2 -4 -9 38.90 3.10 -2 -4 -9 34.00 1.90 -2 -4 -9 37.60 2.20 2 -4 9 37.20 1.80 2 -4 9 35.30 2.00 2 -4 9 34.00 1.80 2 4 9 37.90 1.80 -2 4 -9 36.20 1.80 -2 4 -9 35.70 7.00 2 4 9 35.60 2.90 -2 4 -9 39.40 2.90 -2 4 -9 34.30 1.80 -2 4 -9 42.10 2.00 -2 4 -9 34.30 2.00 -2 4 -9 35.20 1.70 3 -4 9 82.89 3.60 3 -4 9 82.49 3.90 3 -4 9 76.59 6.30 3 -4 9 78.69 3.70 -3 -4 -9 83.49 3.90 -3 -4 -9 83.09 4.20 -3 -4 -9 83.89 4.10 -3 -4 -9 85.59 5.30 -3 4 -9 86.19 3.60 3 4 9 81.99 3.60 -3 4 -9 76.59 3.90 -3 4 -9 84.29 3.50 3 4 9 84.89 3.60 3 4 9 87.49 4.90 -3 4 -9 92.69 10.40 -3 4 -9 84.29 3.50 -4 -4 -9 145.79 6.70 4 -4 9 140.89 9.70 -4 -4 -9 156.48 8.10 4 -4 9 152.18 6.20 4 -4 9 143.59 6.50 -4 -4 -9 143.99 6.20 4 -4 9 135.29 6.10 -4 -4 -9 147.49 6.50 -4 -4 -9 151.78 6.80 -4 4 -9 131.89 6.50 4 4 9 158.78 6.80 -4 4 -9 144.99 6.80 -4 4 -9 155.88 6.10 4 4 9 146.09 6.20 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0.50 4 -5 -9 4.90 3.10 4 -5 -9 0.70 5.90 4 -5 -9 6.60 0.70 -4 5 9 7.40 2.00 4 5 -9 7.60 0.60 4 5 -9 7.40 0.60 4 5 -9 11.70 11.90 4 5 -9 7.60 0.90 4 5 -9 7.00 1.00 -4 5 9 7.30 0.60 4 5 -9 8.30 0.80 3 -5 -9 129.29 5.20 -3 -5 9 121.19 5.70 3 -5 -9 120.99 5.50 3 -5 -9 125.29 5.60 3 -5 -9 131.39 5.50 -3 -5 9 134.69 5.50 3 -5 -9 128.49 5.60 3 5 -9 131.99 5.50 3 5 -9 131.19 17.30 -3 5 9 136.69 5.40 3 5 -9 130.79 5.40 -3 5 9 123.79 7.90 3 5 -9 133.69 5.40 3 5 -9 129.19 5.70 2 -5 -9 83.19 3.90 2 -5 -9 88.59 3.90 -2 -5 9 88.49 3.90 2 -5 -9 83.19 3.80 2 -5 -9 83.29 3.50 -2 -5 9 83.39 3.90 2 -5 -9 85.19 3.70 -2 -5 9 89.09 3.70 -2 -5 9 73.59 3.80 2 5 -9 85.49 3.60 -2 5 9 86.29 3.70 2 5 -9 90.69 12.90 2 5 -9 83.49 3.90 -2 5 9 79.49 5.80 2 5 -9 85.49 3.60 2 5 -9 83.99 3.70 1 -5 -9 26.20 1.40 -1 -5 9 25.60 1.60 1 -5 -9 25.80 1.60 -1 -5 9 27.20 1.50 -1 -5 9 22.10 1.50 1 -5 -9 25.90 1.70 -1 -5 9 27.60 1.40 1 -5 -9 23.20 1.80 1 -5 -9 26.10 1.60 1 -5 -9 24.90 1.10 -1 5 9 24.10 2.90 1 5 -9 27.10 1.60 1 5 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52.19 2.60 -3 -5 -9 54.79 2.90 -3 -5 -9 50.39 2.50 3 -5 9 50.39 2.40 -3 -5 -9 50.39 3.70 3 -5 9 53.59 2.40 3 -5 9 49.70 2.70 -3 -5 -9 50.99 2.90 -3 5 -9 51.49 2.30 3 5 9 49.40 2.30 3 5 9 54.29 2.50 3 5 9 52.19 3.80 -3 5 -9 50.99 2.30 -3 5 -9 44.70 9.20 4 -5 9 79.09 3.80 -4 -5 -9 73.79 5.80 -4 -5 -9 77.19 3.60 4 -5 9 79.39 3.40 4 -5 9 74.89 3.40 -4 -5 -9 81.29 4.00 -4 -5 -9 80.79 3.90 4 5 9 75.69 3.30 4 5 9 79.19 3.50 4 5 9 75.89 3.50 -4 5 -9 70.79 4.10 -4 5 -9 78.69 5.00 -4 5 -9 76.79 3.30 -4 5 -9 79.69 3.30 5 -5 9 9.80 0.70 5 -5 9 10.00 0.70 -5 -5 -9 10.90 0.90 -5 -5 -9 10.20 1.10 -5 -5 -9 9.60 1.70 -5 5 -9 10.40 0.60 -5 5 -9 13.10 2.20 5 5 9 10.70 0.70 5 5 9 10.20 0.80 5 5 9 9.40 0.80 -5 5 -9 10.10 0.60 -6 -5 -9 85.29 5.20 6 -5 9 92.19 3.90 -6 -5 -9 90.19 4.00 -6 -5 -9 93.29 4.30 6 5 9 95.09 4.00 6 5 9 93.19 3.90 6 5 9 91.99 4.00 -6 5 -9 90.29 3.80 -7 -5 -9 20.00 1.10 -7 -5 -9 18.40 2.00 -7 -5 -9 19.50 1.60 7 -5 9 18.90 1.00 -7 5 -9 19.20 1.20 7 5 9 21.70 1.10 -7 5 -9 20.80 0.90 7 5 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5 3 10 19.60 2.00 -5 3 -10 18.50 1.60 -5 3 -10 17.90 0.90 6 -3 10 58.09 3.10 -6 -3 -10 62.49 3.30 6 -3 10 56.09 5.50 -6 -3 -10 71.99 3.50 -6 -3 -10 58.19 3.10 6 -3 10 62.79 2.80 -6 -3 -10 63.39 3.10 -6 -3 -10 60.69 4.30 -6 3 -10 61.99 3.20 6 3 10 66.79 4.20 -6 3 -10 66.19 3.40 -6 3 -10 63.49 3.40 6 3 10 64.89 2.90 -6 3 -10 60.39 2.70 -6 3 -10 61.49 3.10 -7 -3 -10 60.09 3.20 7 -3 10 49.10 5.80 -7 -3 -10 52.09 2.60 -7 -3 -10 49.00 2.90 -7 -3 -10 57.19 2.80 7 -3 10 52.59 2.40 -7 3 -10 53.59 2.70 -7 3 -10 53.49 3.00 -7 3 -10 48.90 2.60 7 3 10 55.19 2.50 7 3 10 51.99 3.80 -7 3 -10 50.29 2.30 -7 3 -10 50.89 3.00 -8 -3 -10 47.20 2.30 -8 -3 -10 41.60 2.40 8 -3 10 48.20 2.10 -8 -3 -10 46.00 2.40 -8 -3 -10 46.00 3.40 -8 3 -10 44.50 2.40 -8 3 -10 44.20 2.30 -8 3 -10 51.19 2.10 8 3 10 49.00 2.30 8 3 10 49.10 2.20 -9 -3 -10 23.70 1.30 9 -3 10 25.30 1.20 9 -3 10 27.90 1.20 -9 -3 -10 24.30 1.30 -9 3 -10 25.20 1.20 9 3 10 24.90 1.30 9 3 10 25.10 1.30 10 -3 10 4.40 0.40 -10 3 -10 4.50 0.40 -10 3 -10 4.70 0.50 10 3 10 4.10 0.40 10 3 10 4.00 0.40 -10 4 10 5.00 0.40 10 4 -10 4.50 0.50 10 4 -10 4.30 0.70 10 4 -10 4.40 0.40 9 -4 -10 55.69 2.40 -9 -4 10 54.59 2.70 -9 4 10 59.29 2.40 9 4 -10 57.29 2.50 9 4 -10 59.59 2.70 8 -4 -10 62.39 2.70 -8 -4 10 62.69 2.70 -8 -4 10 59.29 3.00 8 -4 -10 60.69 2.60 8 4 -10 57.79 2.90 -8 4 10 63.39 2.60 8 4 -10 64.59 2.80 7 -4 -10 18.30 1.00 7 -4 -10 9.70 5.80 7 -4 -10 18.40 1.00 7 -4 -10 18.50 1.10 -7 -4 10 18.00 1.30 -7 -4 10 19.10 1.10 7 4 -10 19.50 14.30 7 4 -10 17.30 1.00 7 4 -10 21.80 1.30 7 4 -10 18.80 1.10 -7 4 10 17.90 0.90 7 4 -10 18.30 0.90 7 4 -10 17.20 1.00 6 -4 -10 156.08 9.50 6 -4 -10 160.18 6.80 6 -4 -10 163.68 6.80 -6 -4 10 160.88 6.90 6 -4 -10 168.38 6.70 -6 -4 10 172.88 6.90 6 -4 -10 153.08 6.80 6 -4 -10 142.39 12.90 6 4 -10 169.68 6.90 6 4 -10 167.88 6.70 6 4 -10 170.18 6.70 6 4 -10 174.38 19.80 6 4 -10 165.88 6.80 6 4 -10 161.48 7.00 6 4 -10 172.58 7.10 5 -4 -10 23.80 1.20 5 -4 -10 23.80 1.40 5 -4 -10 23.90 1.30 -5 -4 10 23.20 1.40 5 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51.99 2.60 2 4 -10 39.10 8.30 2 4 -10 47.40 2.10 1 -4 -10 102.29 4.40 1 -4 -10 100.99 4.70 -1 -4 10 103.69 4.70 1 -4 -10 104.39 4.80 -1 -4 10 111.69 4.60 -1 4 10 100.69 6.00 -1 4 10 97.79 4.40 1 4 -10 110.19 4.40 1 4 -10 103.49 5.00 1 4 -10 83.99 10.80 1 4 -10 108.19 4.50 1 4 -10 109.79 4.80 1 4 -10 117.99 4.50 0 -4 10 149.09 6.30 0 -4 -10 155.08 6.70 0 -4 -10 140.79 6.20 0 -4 10 147.39 6.50 0 -4 -10 158.88 6.90 0 -4 -10 148.89 6.50 0 4 10 145.79 6.20 0 4 -10 149.29 6.40 0 4 10 145.89 7.80 0 4 -10 150.88 6.20 0 4 -10 155.88 6.90 0 4 -10 149.19 13.00 0 4 -10 167.28 6.50 0 4 -10 145.69 6.70 0 4 -10 153.68 6.30 -1 -4 -10 9.00 1.40 1 -4 10 11.00 0.90 1 -4 10 9.90 0.80 1 -4 10 10.10 1.00 -1 -4 -10 11.00 1.00 -1 -4 -10 12.00 1.70 -1 -4 -10 9.40 1.00 -1 4 -10 6.40 5.20 1 4 10 8.80 0.60 1 4 10 10.10 1.60 -1 4 -10 12.10 0.80 -1 4 -10 10.20 0.70 -1 4 -10 10.80 0.70 -1 4 -10 10.80 1.00 1 4 10 9.70 0.70 -1 4 -10 9.30 0.80 -2 -4 -10 46.20 2.30 -2 -4 -10 44.70 3.50 2 -4 10 41.50 2.40 -2 -4 -10 45.80 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150.78 6.80 -5 -4 -10 156.88 8.10 -5 4 -10 148.59 6.80 5 4 10 151.88 6.30 -5 4 -10 150.68 6.10 -5 4 -10 149.79 6.10 5 4 10 160.68 7.70 -5 4 -10 146.09 6.90 -5 4 -10 136.89 6.70 5 4 10 151.68 6.30 -6 -4 -10 27.20 2.90 -6 -4 -10 30.40 1.80 6 -4 10 31.20 1.50 -6 -4 -10 31.30 2.00 -6 4 -10 32.30 2.30 6 4 10 32.10 1.70 -6 4 -10 37.00 2.40 6 4 10 31.10 1.60 -6 4 -10 30.90 1.80 -6 4 -10 31.20 1.40 -7 -4 -10 13.60 1.10 -7 -4 -10 13.40 1.00 7 -4 10 14.50 0.80 -7 -4 -10 12.00 1.70 7 4 10 14.10 0.90 -7 4 -10 13.80 0.70 7 4 10 13.50 0.90 -7 4 -10 13.80 1.00 -8 -4 -10 32.10 1.80 8 -4 10 34.40 1.60 -8 -4 -10 32.80 2.60 8 -4 10 38.80 1.60 -8 -4 -10 34.10 1.70 8 4 10 35.90 1.80 -8 4 -10 36.20 1.70 8 4 10 36.40 1.70 -9 -4 -10 19.40 1.70 9 -4 10 21.20 1.00 -9 -4 -10 18.20 1.10 9 4 10 21.30 1.00 -9 4 -10 22.10 1.00 9 4 10 22.80 1.10 9 5 -10 35.00 1.60 -9 5 10 34.00 1.50 8 -5 -10 13.40 0.80 -8 -5 10 13.40 0.90 -8 -5 10 13.40 0.80 -8 5 10 14.10 0.70 8 5 -10 13.50 0.90 8 5 -10 13.20 1.30 -7 -5 10 43.80 2.10 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36.80 1.90 -2 0 -19 1.30 0.40 -2 0 -19 1.60 0.30 -2 0 -19 1.00 0.70 -2 0 -19 0.30 0.40 -3 0 -19 6.20 0.80 -3 0 -19 7.80 0.60 -3 0 -19 5.50 1.40 -4 0 -19 32.60 1.70 -4 0 -19 30.40 1.80 -4 0 -19 29.60 2.40 -4 0 -19 33.50 1.60 -5 0 -19 9.80 1.60 -7 -1 19 7.40 0.50 7 -1 -19 6.80 0.80 7 -1 -19 6.90 0.60 -7 1 19 7.10 0.50 7 1 -19 6.70 0.60 7 1 -19 7.50 0.80 -6 -1 19 20.60 1.10 6 -1 -19 21.80 1.30 6 -1 -19 21.40 1.10 -6 1 19 20.00 1.00 6 1 -19 21.70 1.40 6 1 -19 21.40 1.20 -5 -1 19 3.80 0.60 5 -1 -19 2.60 0.40 5 -1 -19 4.60 0.60 5 1 -19 4.70 0.70 5 1 -19 2.90 0.60 -5 1 19 3.60 0.30 4 -1 -19 2.30 0.40 4 -1 -19 1.50 0.40 4 1 -19 1.20 0.40 4 1 -19 2.60 0.40 4 1 -19 1.70 0.60 3 -1 -19 142.69 6.10 3 -1 -19 147.99 6.40 3 1 -19 146.69 6.60 3 1 -19 150.08 7.30 3 1 -19 144.69 6.10 2 -1 -19 2.10 0.40 -2 -1 19 1.40 0.30 2 -1 -19 2.70 0.50 2 1 -19 1.20 0.60 2 1 -19 2.70 0.50 2 1 -19 1.90 0.50 1 -1 -19 14.60 1.70 -1 -1 19 13.00 0.80 1 -1 -19 15.40 0.90 1 -1 -19 15.90 1.20 1 1 -19 14.80 1.80 1 1 -19 15.60 1.30 1 1 -19 14.60 1.00 0 -1 -19 173.08 7.40 0 -1 -19 178.48 7.70 0 -1 -19 192.58 7.80 0 -1 -19 187.88 8.70 0 -1 19 177.28 7.40 0 -1 -19 189.18 7.50 0 1 -19 188.28 7.90 0 1 -19 159.18 8.70 0 1 -19 186.78 7.70 1 -1 19 13.70 0.90 -1 -1 -19 15.20 1.10 -1 -1 -19 13.80 1.80 -1 -1 -19 14.80 0.90 -1 1 -19 16.80 1.20 -1 1 -19 13.90 1.10 -1 1 -19 13.00 1.80 2 -1 19 0.90 0.20 -2 -1 -19 0.70 0.30 -2 -1 -19 0.50 0.30 -2 1 -19 0.70 0.30 -2 1 -19 0.10 0.50 -2 1 -19 -0.10 0.40 3 -1 19 10.40 0.60 -3 -1 -19 10.40 0.80 -3 -1 -19 9.90 0.80 -3 1 -19 9.70 0.90 -3 1 -19 9.20 1.30 -3 1 -19 9.30 0.70 -3 1 -19 8.30 1.40 -4 -1 -19 26.40 1.80 -4 -1 -19 30.70 1.70 -4 -1 -19 33.00 1.60 4 -1 19 31.80 1.40 -4 1 -19 31.30 1.60 -4 1 -19 33.20 1.70 -4 1 -19 29.00 2.30 -4 1 -19 29.90 1.70 -5 -1 -19 8.70 1.00 -5 -1 -19 6.70 1.40 -5 -1 -19 10.20 0.70 -5 1 -19 9.80 0.60 -5 1 -19 9.20 1.40 6 -2 -19 3.30 0.40 -6 -2 19 2.90 0.40 6 2 -19 2.40 0.40 6 2 -19 1.90 0.40 5 -2 -19 5.30 0.50 -5 -2 19 5.80 0.50 5 2 -19 5.20 0.60 5 2 -19 3.70 0.90 5 2 -19 4.80 0.80 -5 2 19 3.80 0.40 4 -2 -19 4.20 0.60 -4 -2 19 3.10 0.40 4 -2 -19 3.00 0.50 4 2 -19 2.40 0.50 4 2 -19 2.10 0.60 -3 -2 19 14.70 0.90 3 -2 -19 15.70 1.00 3 -2 -19 15.70 1.00 3 2 -19 15.40 1.30 3 2 -19 15.80 1.10 3 2 -19 15.30 1.80 2 -2 -19 113.29 4.70 -2 -2 19 101.79 4.60 2 -2 -19 109.69 4.80 2 2 -19 104.49 5.80 2 2 -19 115.19 5.10 2 2 -19 116.39 4.80 1 -2 -19 3.60 0.60 1 -2 -19 4.20 0.50 1 -2 -19 3.20 0.40 -1 -2 19 3.20 0.40 1 2 -19 3.90 0.50 1 2 -19 4.20 1.10 1 2 -19 2.90 0.50 0 -2 -19 37.90 1.90 0 -2 -19 36.60 1.70 0 -2 -19 36.40 3.00 0 -2 -19 36.10 1.70 0 -2 19 37.20 1.70 0 2 -19 38.10 2.90 0 2 -19 38.00 2.10 0 2 -19 34.00 1.70 0 2 -19 36.50 2.00 -1 -2 -19 7.00 0.70 -1 -2 -19 6.80 0.60 -1 -2 -19 6.50 0.50 1 -2 19 7.00 0.50 -1 2 -19 5.40 1.30 -1 2 -19 5.50 0.90 -1 2 -19 8.10 0.80 2 -2 19 35.50 1.60 -2 -2 -19 34.50 1.80 -2 -2 -19 36.20 1.80 -2 2 -19 34.60 1.90 -2 2 -19 38.70 2.00 -2 2 -19 33.80 2.70 -3 -2 -19 36.80 2.70 -3 -2 -19 38.10 1.90 3 -2 19 37.00 1.60 -3 -2 -19 37.60 1.80 -3 2 -19 35.20 1.90 -3 2 -19 38.50 1.90 -3 2 -19 33.40 2.60 -4 -2 -19 57.49 3.40 4 -2 19 60.99 2.50 -4 -2 -19 63.79 2.70 -4 -2 -19 65.69 3.00 -4 -2 -19 60.19 2.80 -4 2 -19 56.19 3.30 -4 2 -19 61.09 2.80 -4 2 -19 60.29 2.80 5 -3 -19 10.20 0.70 -5 -3 19 11.10 0.70 5 3 -19 11.30 1.50 5 3 -19 9.40 0.70 5 3 -19 10.70 0.90 4 -3 -19 22.60 1.10 -4 -3 19 21.60 1.10 4 3 -19 21.70 1.40 4 3 -19 21.50 1.80 4 3 -19 19.60 1.20 -3 -3 19 20.90 1.10 -3 -3 19 21.90 1.20 3 -3 -19 22.80 1.10 3 3 -19 22.30 2.00 3 3 -19 19.90 1.20 3 3 -19 22.40 1.40 2 -3 -19 66.19 2.70 -2 -3 19 56.69 2.80 -2 -3 19 62.99 2.70 2 3 -19 58.39 2.70 2 3 -19 66.89 3.10 2 3 -19 62.19 3.80 1 -3 -19 2.00 0.30 -1 -3 19 1.70 0.30 1 -3 -19 2.50 0.30 1 3 -19 1.20 0.70 1 3 -19 1.10 0.30 0 -3 -19 91.29 3.80 0 -3 -19 90.59 3.90 0 -3 19 99.29 4.00 0 3 -19 91.39 4.20 0 3 -19 89.49 4.00 0 3 -19 91.89 5.10 -1 -3 -19 61.49 2.70 -1 -3 -19 62.89 2.90 -1 -3 -19 65.19 2.80 1 -3 19 65.39 2.70 -1 3 -19 63.89 2.90 -1 3 -19 54.79 3.60 -1 3 -19 66.49 3.00 2 -3 19 13.20 0.70 -2 -3 -19 14.00 0.80 -2 -3 -19 12.20 1.00 -2 3 -19 12.90 0.90 -2 3 -19 11.60 0.90 3 -3 19 15.30 0.80 -3 -3 -19 14.10 1.10 -3 -3 -19 15.00 1.70 -3 -3 -19 16.30 0.90 -3 3 -19 15.70 0.90 -3 3 -19 14.40 1.00 2 -4 -19 13.20 0.70 -2 -4 19 13.20 0.70 2 4 -19 12.70 0.80 2 4 -19 10.90 1.20 -1 -4 19 5.60 0.40 1 -4 -19 5.40 0.40 1 4 -19 4.80 1.00 1 4 -19 5.30 0.50 0 -4 19 39.80 1.70 0 -4 -19 39.40 1.70 0 -4 -19 38.80 1.70 0 4 -19 37.80 2.50 0 4 -19 38.10 1.80 0 4 -19 39.90 1.80 1 -4 19 30.70 1.30 -1 -4 -19 30.00 1.40 -1 4 -19 28.00 1.40 -1 4 -19 29.00 1.40 -1 4 -19 25.30 2.00 6 0 -20 0.60 0.30 6 0 -20 0.60 0.30 5 0 -20 11.20 0.90 -5 0 20 9.90 0.70 5 0 -20 10.20 0.70 4 0 -20 20.60 1.20 4 0 -20 21.00 1.40 3 0 -20 5.40 0.60 3 0 -20 6.40 0.90 2 0 -20 6.60 0.60 2 0 -20 6.50 0.80 2 0 -20 4.90 1.10 1 0 -20 0.20 0.30 1 0 -20 0.10 0.30 1 0 -20 0.10 0.50 0 0 -20 2.00 0.40 0 0 -20 1.80 0.30 0 0 -20 1.40 0.40 -1 0 -20 35.70 3.20 -1 0 -20 41.90 2.10 -1 0 -20 47.50 2.30 -2 0 -20 86.69 4.70 -2 0 -20 84.99 3.90 -2 0 -20 89.49 3.90 -3 0 -20 1.10 0.50 -3 0 -20 1.80 0.30 -4 0 -20 0.60 0.30 -4 0 -20 1.10 0.20 -6 -1 20 28.40 1.30 6 1 -20 30.60 1.60 -5 -1 20 4.60 0.40 5 -1 -20 4.70 0.50 5 -1 -20 5.10 0.60 5 1 -20 4.40 0.70 5 1 -20 4.20 0.50 4 -1 -20 40.90 2.00 4 -1 -20 38.00 1.80 4 1 -20 39.30 2.10 4 1 -20 36.60 1.90 4 1 -20 41.30 2.50 3 -1 -20 20.60 1.10 3 -1 -20 20.90 1.30 3 1 -20 18.60 1.10 3 1 -20 18.10 1.80 3 1 -20 18.20 1.50 2 -1 -20 11.40 0.90 2 -1 -20 10.40 0.70 2 1 -20 8.50 1.50 2 1 -20 11.20 1.00 2 1 -20 9.60 0.80 -1 -1 20 0.40 0.20 1 -1 -20 0.60 0.30 1 -1 -20 0.80 0.30 1 1 -20 0.90 0.30 1 1 -20 0.00 0.60 1 1 -20 0.30 0.30 0 -1 -20 21.80 1.90 0 -1 -20 22.90 1.40 0 -1 -20 21.10 1.10 0 1 -20 22.00 1.20 0 1 -20 23.00 2.50 0 1 -20 24.60 1.50 -1 -1 -20 0.60 0.20 -1 -1 -20 -0.10 0.40 -1 -1 -20 0.50 0.30 -1 1 -20 -0.10 0.50 -1 1 -20 0.20 0.30 -1 1 -20 0.80 0.30 -2 -1 -20 0.40 0.60 -2 -1 -20 1.60 0.70 -2 1 -20 1.50 0.40 -2 1 -20 1.40 0.60 -3 -1 -20 47.90 2.30 -3 -1 -20 54.49 2.30 -3 1 -20 47.10 2.30 -3 1 -20 50.39 2.40 -3 1 -20 45.30 2.90 -4 -1 -20 1.50 0.60 -4 1 -20 1.70 0.50 -4 1 -20 2.50 0.50 -4 1 -20 2.10 0.30 -5 -2 20 30.40 1.40 5 -2 -20 29.90 1.40 5 2 -20 31.20 1.70 5 2 -20 27.70 1.40 -4 -2 20 17.00 0.90 4 -2 -20 16.80 0.90 4 2 -20 17.30 1.20 4 2 -20 14.90 1.00 4 2 -20 15.90 1.50 -3 -2 20 1.50 0.20 3 2 -20 2.40 0.40 3 2 -20 1.50 0.50 3 2 -20 2.20 0.40 2 -2 -20 5.40 0.50 2 -2 -20 5.10 0.50 2 2 -20 4.00 0.50 2 2 -20 3.80 1.10 2 2 -20 5.60 0.70 1 -2 -20 9.50 0.60 1 -2 -20 8.40 0.80 1 2 -20 9.40 0.90 1 2 -20 7.80 1.30 0 -2 -20 46.80 2.20 0 -2 -20 54.39 3.10 0 -2 -20 53.09 2.60 0 -2 -20 51.89 2.30 0 2 -20 48.90 3.30 0 2 -20 56.19 2.60 0 2 -20 52.69 2.40 -1 -2 -20 24.60 2.00 -1 -2 -20 27.30 1.50 -1 -2 -20 27.50 1.40 -1 2 -20 27.00 1.50 -1 2 -20 25.00 2.10 -1 2 -20 25.10 1.40 -2 -2 -20 14.00 0.90 -2 -2 -20 11.10 1.40 2 -2 20 12.90 0.80 -2 2 -20 13.90 0.90 -2 2 -20 10.60 1.40 -2 2 -20 11.30 0.90 -3 -2 -20 29.70 1.30 -3 -2 -20 25.90 1.40 -3 -2 -20 28.90 2.40 -3 2 -20 27.00 2.00 -3 2 -20 27.90 1.50 -3 2 -20 29.00 1.50 3 -3 -20 9.60 0.60 -3 -3 20 10.10 0.60 3 3 -20 9.60 0.80 3 3 -20 8.60 1.10 -2 -3 20 5.10 0.40 2 -3 -20 5.30 0.50 2 3 -20 4.40 1.00 2 3 -20 5.60 0.60 -1 -3 20 3.40 0.30 1 -3 -20 4.30 0.60 1 3 -20 4.30 0.60 1 3 -20 3.40 0.90 0 -3 -20 5.60 0.40 0 -3 20 3.90 0.30 0 3 -20 6.10 0.60 0 3 -20 4.60 1.00 -1 -3 -20 24.10 1.10 -1 3 -20 23.70 1.20 -1 3 -20 24.90 1.30 -1 3 -20 20.70 1.80 4 0 -21 18.90 1.10 4 0 -21 16.80 1.00 3 0 -21 0.10 0.20 3 0 -21 0.20 0.20 2 0 -21 18.70 1.00 2 0 -21 19.30 1.20 1 0 -21 20.90 1.10 1 0 -21 24.80 1.80 1 0 -21 25.40 1.40 0 0 -21 18.00 1.70 0 0 -21 19.60 1.20 -1 0 -21 13.50 1.40 -2 0 -21 -0.10 0.40 -2 0 -21 -0.70 0.50 4 -1 -21 25.40 1.20 4 -1 -21 25.00 1.30 4 1 -21 27.30 1.50 4 1 -21 23.70 1.30 3 1 -21 1.80 0.40 2 -1 -21 17.00 1.00 2 -1 -21 17.10 0.90 2 1 -21 14.50 1.50 2 1 -21 17.70 1.10 1 -1 -21 5.20 0.50 1 -1 -21 5.40 0.60 1 1 -21 5.60 0.70 1 1 -21 5.80 0.50 0 -1 -21 43.80 3.40 0 -1 -21 50.79 2.30 0 1 -21 46.30 2.90 0 1 -21 52.19 2.40 -1 -1 -21 43.50 2.90 -1 -1 -21 34.70 2.00 -1 -1 -21 39.90 1.90 -1 1 -21 37.70 2.50 -1 1 -21 41.30 1.80 -1 1 -21 42.30 2.00 -2 -1 -21 16.20 1.20 -2 -1 -21 13.60 0.90 -2 1 -21 14.20 0.90 -2 1 -21 13.20 0.90 3 2 -21 119.09 5.10 2 -2 -21 11.50 0.70 2 2 -21 10.40 1.20 2 2 -21 12.90 0.90 1 -2 -21 17.70 0.90 1 2 -21 20.00 1.10 1 2 -21 15.30 1.60 0 2 -21 29.70 1.50 0 2 -21 23.40 1.90 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 51848 _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group O1 O 0.52858(12) 0.26916(19) 0.34085(7) 0.0373(3) Uani 1 1 d . . . . . O2 O 0.84254(11) 0.69078(19) 0.35985(7) 0.0340(3) Uani 1 1 d . . . . . N1 N 0.13737(14) 0.7026(3) 0.19204(9) 0.0383(4) Uani 1 1 d . . . . . N2 N 0.68940(12) 0.4724(2) 0.37642(7) 0.0257(3) Uani 1 1 d . . . . . C1 C 0.09187(19) 0.5185(3) 0.00734(11) 0.0375(4) Uani 1 1 d . . . . . H1 H 0.049666 0.473781 0.047782 0.045 Uiso 1 1 calc R U . . . C2 C 0.0398(2) 0.4933(3) -0.06310(12) 0.0450(5) Uani 1 1 d . . . . . H2 H -0.037244 0.428861 -0.071097 0.054 Uiso 1 1 calc R U . . . C3 C 0.0989(2) 0.5617(3) -0.12359(11) 0.0454(5) Uani 1 1 d . . . . . H3 H 0.061449 0.544298 -0.172203 0.054 Uiso 1 1 calc R U . . . C4 C 0.2099(2) 0.6529(3) -0.11305(11) 0.0411(5) Uani 1 1 d . . . . . H4 H 0.248641 0.700230 -0.154390 0.049 Uiso 1 1 calc R U . . . C5 C 0.26847(17) 0.6781(3) -0.04070(10) 0.0328(4) Uani 1 1 d . . . . . C6 C 0.20844(16) 0.6107(2) 0.02084(10) 0.0301(4) Uani 1 1 d . . . . . C7 C 0.26670(16) 0.6378(2) 0.09339(9) 0.0286(4) Uani 1 1 d . . . . . C8 C 0.38024(16) 0.7282(2) 0.10483(9) 0.0283(3) Uani 1 1 d . . . . . C9 C 0.43912(17) 0.7899(3) 0.04219(10) 0.0351(4) Uani 1 1 d . . . . . H9 H 0.518182 0.848697 0.049083 0.042 Uiso 1 1 calc R U . . . C10 C 0.38519(18) 0.7672(3) -0.02779(10) 0.0371(4) Uani 1 1 d . . . . . H10 H 0.426778 0.811960 -0.068451 0.044 Uiso 1 1 calc R U . . . C11 C 0.19951(16) 0.5683(3) 0.15726(10) 0.0313(4) Uani 1 1 d . . . . . C12 C 0.19982(18) 0.3765(3) 0.17694(12) 0.0410(5) Uani 1 1 d . . . . . C13 C 0.1335(2) 0.3290(4) 0.23766(14) 0.0584(7) Uani 1 1 d . U . . . H13 H 0.132267 0.201316 0.254215 0.070 Uiso 1 1 calc R U . . . C14 C 0.0700(2) 0.4667(5) 0.27354(13) 0.0610(7) Uani 1 1 d . U . . . H14 H 0.024847 0.435152 0.314555 0.073 Uiso 1 1 calc R U . . . C15 C 0.0737(2) 0.6489(4) 0.24858(12) 0.0510(6) Uani 1 1 d . . . . . H15 H 0.028638 0.742702 0.272682 0.061 Uiso 1 1 calc R U . . . C16 C 0.2637(2) 0.2284(3) 0.13479(17) 0.0580(7) Uani 1 1 d . . . . . H16A H 0.215554 0.204199 0.087725 0.087 Uiso 1 1 calc R U . . . H16B H 0.270635 0.111081 0.163700 0.087 Uiso 1 1 calc R U . . . H16C H 0.346698 0.272995 0.125345 0.087 Uiso 1 1 calc R U . . . C17 C 0.43842(16) 0.7544(2) 0.18336(9) 0.0289(3) Uani 1 1 d . . . . . H17 H 0.370627 0.781954 0.216074 0.035 Uiso 1 1 calc R U . . . C18 C 0.54009(17) 0.9112(3) 0.19647(10) 0.0336(4) Uani 1 1 d . . . . . H18A H 0.557511 0.972349 0.149388 0.040 Uiso 1 1 calc R U . . . H18B H 0.513872 1.009477 0.230838 0.040 Uiso 1 1 calc R U . . . C19 C 0.65437(16) 0.8034(2) 0.23020(9) 0.0297(4) Uani 1 1 d . . . . . H19 H 0.735280 0.868840 0.225382 0.036 Uiso 1 1 calc R U . . . C20 C 0.62942(15) 0.7488(2) 0.30960(9) 0.0263(3) Uani 1 1 d . . . . . H20 H 0.602402 0.860338 0.338252 0.032 Uiso 1 1 calc R U . . . C21 C 0.52572(15) 0.5976(2) 0.29809(9) 0.0265(3) Uani 1 1 d . . . . . H21 H 0.447351 0.642622 0.317957 0.032 Uiso 1 1 calc R U . . . C22 C 0.50904(15) 0.5749(2) 0.21338(9) 0.0272(3) Uani 1 1 d . . . . . H22 H 0.471698 0.451726 0.195782 0.033 Uiso 1 1 calc R U . . . C23 C 0.64088(16) 0.6113(3) 0.19109(9) 0.0299(4) Uani 1 1 d . . . . . H23A H 0.701433 0.516261 0.211755 0.036 Uiso 1 1 calc R U . . . H23B H 0.644639 0.621324 0.136997 0.036 Uiso 1 1 calc R U . . . C24 C 0.57561(15) 0.4243(2) 0.33909(9) 0.0268(3) Uani 1 1 d . . . . . C25 C 0.73555(15) 0.6433(2) 0.35063(9) 0.0260(3) Uani 1 1 d . . . . . C26 C 0.76591(14) 0.3411(2) 0.42052(9) 0.0257(3) Uani 1 1 d . . . . . C27 C 0.83367(16) 0.2137(3) 0.38188(10) 0.0323(4) Uani 1 1 d . . . . . H27 H 0.824984 0.213936 0.329451 0.039 Uiso 1 1 calc R U . . . C28 C 0.91390(17) 0.0858(3) 0.41871(12) 0.0369(4) Uani 1 1 d . . . . . H28 H 0.960630 -0.000836 0.392133 0.044 Uiso 1 1 calc R U . . . C29 C 0.92436(16) 0.0874(3) 0.49504(12) 0.0359(4) Uani 1 1 d . . . . . H29 H 0.979428 0.001864 0.521381 0.043 Uiso 1 1 calc R U . . . C30 C 0.85519(15) 0.2126(2) 0.53308(10) 0.0308(4) Uani 1 1 d . . . . . H30 H 0.863506 0.209190 0.585491 0.037 Uiso 1 1 calc R U . . . C31 C 0.77342(14) 0.3443(2) 0.49832(9) 0.0246(3) Uani 1 1 d . . . . . C32 C 0.69789(15) 0.4787(2) 0.54441(9) 0.0265(3) Uani 1 1 d . . . . . C33 C 0.55848(15) 0.4402(3) 0.52806(10) 0.0311(4) Uani 1 1 d . . . . . H33A H 0.535044 0.461794 0.475522 0.047 Uiso 1 1 calc R U . . . H33B H 0.511137 0.525683 0.557650 0.047 Uiso 1 1 calc R U . . . H33C H 0.540432 0.308441 0.540583 0.047 Uiso 1 1 calc R U . . . C34 C 0.72715(16) 0.6881(3) 0.52964(10) 0.0320(4) Uani 1 1 d . . . . . H34A H 0.817130 0.707193 0.534403 0.048 Uiso 1 1 calc R U . . . H34B H 0.688801 0.768243 0.565503 0.048 Uiso 1 1 calc R U . . . H34C H 0.694153 0.722306 0.479602 0.048 Uiso 1 1 calc R U . . . C35 C 0.72773(18) 0.4467(3) 0.62749(10) 0.0376(4) Uani 1 1 d . . . . . H35A H 0.713286 0.313443 0.639384 0.056 Uiso 1 1 calc R U . . . H35B H 0.674217 0.527521 0.655157 0.056 Uiso 1 1 calc R U . . . H35C H 0.814723 0.478761 0.640952 0.056 Uiso 1 1 calc R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 O1 0.0394(7) 0.0348(7) 0.0363(7) 0.0065(5) -0.0050(5) -0.0148(6) O2 0.0288(6) 0.0361(6) 0.0368(7) -0.0003(5) -0.0001(5) -0.0093(5) N1 0.0330(8) 0.0521(10) 0.0300(8) -0.0030(7) 0.0029(6) -0.0030(7) N2 0.0257(6) 0.0256(6) 0.0256(6) -0.0005(5) 0.0012(5) -0.0038(5) C1 0.0364(9) 0.0406(10) 0.0345(10) -0.0007(8) -0.0033(7) 0.0016(8) C2 0.0422(11) 0.0460(11) 0.0445(11) -0.0055(9) -0.0103(8) 0.0024(9) C3 0.0518(12) 0.0502(12) 0.0314(10) -0.0068(9) -0.0131(8) 0.0101(10) C4 0.0540(11) 0.0420(11) 0.0264(9) -0.0002(8) -0.0018(8) 0.0113(9) C5 0.0413(9) 0.0306(9) 0.0261(8) -0.0006(7) 0.0000(7) 0.0079(7) C6 0.0330(8) 0.0276(8) 0.0287(8) 0.0001(7) -0.0026(6) 0.0057(7) C7 0.0309(8) 0.0284(8) 0.0262(8) 0.0020(7) -0.0003(6) 0.0031(7) C8 0.0312(8) 0.0251(8) 0.0282(8) 0.0019(6) 0.0004(6) 0.0016(6) C9 0.0359(9) 0.0370(10) 0.0326(9) 0.0035(7) 0.0035(7) -0.0042(8) C10 0.0449(10) 0.0382(9) 0.0290(9) 0.0051(8) 0.0082(7) 0.0019(8) C11 0.0269(8) 0.0380(9) 0.0279(8) 0.0044(7) -0.0052(6) -0.0043(7) C12 0.0339(9) 0.0412(11) 0.0455(11) 0.0136(9) -0.0112(8) -0.0074(8) C13 0.0542(13) 0.0656(15) 0.0517(12) 0.0309(12) -0.0184(10) -0.0266(11) C14 0.0517(13) 0.098(2) 0.0338(10) 0.0088(12) 0.0037(9) -0.0309(14) C15 0.0383(10) 0.0821(17) 0.0333(10) -0.0062(10) 0.0068(8) -0.0157(11) C16 0.0507(13) 0.0330(11) 0.0873(19) 0.0080(11) -0.0134(12) -0.0013(9) C17 0.0310(8) 0.0293(8) 0.0261(8) -0.0003(7) 0.0011(6) -0.0005(7) C18 0.0406(10) 0.0264(8) 0.0325(9) 0.0027(7) -0.0056(7) -0.0028(7) C19 0.0303(8) 0.0298(9) 0.0288(8) 0.0026(7) 0.0018(6) -0.0063(7) C20 0.0290(8) 0.0252(8) 0.0247(8) -0.0022(6) 0.0010(6) -0.0020(6) C21 0.0253(8) 0.0304(8) 0.0241(8) 0.0005(6) 0.0035(6) -0.0027(6) C22 0.0304(8) 0.0264(8) 0.0245(8) -0.0010(6) 0.0001(6) -0.0036(7) C23 0.0318(8) 0.0335(9) 0.0249(8) -0.0015(7) 0.0057(6) 0.0007(7) C24 0.0269(7) 0.0309(8) 0.0227(7) -0.0003(6) 0.0027(6) -0.0043(7) C25 0.0305(8) 0.0252(8) 0.0226(7) -0.0039(6) 0.0033(6) -0.0037(6) C26 0.0228(7) 0.0226(7) 0.0315(8) -0.0010(6) 0.0007(6) -0.0036(6) C27 0.0320(8) 0.0300(8) 0.0353(9) -0.0067(7) 0.0046(7) -0.0031(7) C28 0.0310(9) 0.0256(8) 0.0547(12) -0.0085(8) 0.0079(8) 0.0000(7) C29 0.0293(8) 0.0243(8) 0.0534(11) 0.0026(8) -0.0012(8) 0.0006(7) C30 0.0291(8) 0.0254(8) 0.0373(9) 0.0041(7) -0.0002(7) -0.0014(7) C31 0.0224(7) 0.0210(7) 0.0304(8) 0.0000(6) 0.0022(6) -0.0047(6) C32 0.0265(8) 0.0266(8) 0.0262(8) -0.0002(6) 0.0014(6) -0.0012(6) C33 0.0267(8) 0.0333(8) 0.0338(8) -0.0032(7) 0.0057(6) -0.0032(7) C34 0.0312(8) 0.0265(8) 0.0386(9) -0.0044(7) 0.0053(7) -0.0011(7) C35 0.0397(9) 0.0448(10) 0.0280(9) -0.0014(8) 0.0018(7) 0.0023(9) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 '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 C15 N1 C11 117.9(2) . . ? C24 N2 C25 111.72(14) . . ? C24 N2 C26 123.90(14) . . ? C25 N2 C26 122.33(13) . . ? C2 C1 H1 119.6 . . ? C2 C1 C6 120.9(2) . . ? C6 C1 H1 119.6 . . ? C1 C2 H2 119.7 . . ? C1 C2 C3 120.6(2) . . ? C3 C2 H2 119.7 . . ? C2 C3 H3 119.8 . . ? C4 C3 C2 120.38(18) . . ? C4 C3 H3 119.8 . . ? C3 C4 H4 119.7 . . ? C3 C4 C5 120.67(19) . . ? C5 C4 H4 119.7 . . ? C6 C5 C4 119.21(18) . . ? C10 C5 C4 122.25(18) . . ? C10 C5 C6 118.53(16) . . ? C1 C6 C7 122.65(17) . . ? C5 C6 C1 118.22(16) . . ? C5 C6 C7 119.13(16) . . ? C6 C7 C11 117.72(15) . . ? C8 C7 C6 121.37(16) . . ? C8 C7 C11 120.90(15) . . ? C7 C8 C9 118.15(15) . . ? C7 C8 C17 119.40(15) . . ? C9 C8 C17 122.44(15) . . ? C8 C9 H9 119.1 . . ? C10 C9 C8 121.74(17) . . ? C10 C9 H9 119.1 . . ? C5 C10 H10 119.5 . . ? C9 C10 C5 121.06(17) . . ? C9 C10 H10 119.5 . . ? N1 C11 C7 115.09(16) . . ? N1 C11 C12 123.40(19) . . ? C12 C11 C7 121.49(18) . . ? C11 C12 C13 116.2(2) . . ? C11 C12 C16 122.4(2) . . ? C13 C12 C16 121.5(2) . . ? C12 C13 H13 119.7 . . ? C14 C13 C12 120.5(2) . . ? C14 C13 H13 119.7 . . ? C13 C14 H14 120.8 . . ? C15 C14 C13 118.4(2) . . ? C15 C14 H14 120.8 . . ? N1 C15 C14 123.6(2) . . ? N1 C15 H15 118.2 . . ? C14 C15 H15 118.2 . . ? C12 C16 H16A 109.5 . . ? C12 C16 H16B 109.5 . . ? C12 C16 H16C 109.5 . . ? H16A C16 H16B 109.5 . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 109.5 . . ? C8 C17 H17 108.2 . . ? C8 C17 C18 117.43(14) . . ? C8 C17 C22 112.57(13) . . ? C18 C17 H17 108.2 . . ? C22 C17 H17 108.2 . . ? C22 C17 C18 101.68(13) . . ? C17 C18 H18A 110.9 . . ? C17 C18 H18B 110.9 . . ? H18A C18 H18B 108.9 . . ? C19 C18 C17 104.16(13) . . ? C19 C18 H18A 110.9 . . ? C19 C18 H18B 110.9 . . ? C18 C19 H19 114.8 . . ? C18 C19 C20 107.55(14) . . ? C20 C19 H19 114.8 . . ? C23 C19 C18 102.07(13) . . ? C23 C19 H19 114.8 . . ? C23 C19 C20 101.33(13) . . ? C19 C20 H20 111.9 . . ? C19 C20 C21 103.03(13) . . ? C21 C20 H20 111.9 . . ? C25 C20 C19 113.67(14) . . ? C25 C20 H20 111.9 . . ? C25 C20 C21 103.92(13) . . ? C20 C21 H21 111.0 . . ? C22 C21 C20 103.36(12) . . ? C22 C21 H21 111.0 . . ? C24 C21 C20 105.33(13) . . ? C24 C21 H21 111.0 . . ? C24 C21 C22 114.63(14) . . ? C17 C22 H22 114.9 . . ? C21 C22 C17 106.25(13) . . ? C21 C22 H22 114.9 . . ? C23 C22 C17 102.26(13) . . ? C23 C22 C21 102.09(13) . . ? C23 C22 H22 114.9 . . ? C19 C23 C22 94.65(13) . . ? C19 C23 H23A 112.8 . . ? C19 C23 H23B 112.8 . . ? C22 C23 H23A 112.8 . . ? C22 C23 H23B 112.8 . . ? H23A C23 H23B 110.3 . . ? O1 C24 N2 124.23(16) . . ? O1 C24 C21 127.75(15) . . ? N2 C24 C21 108.02(14) . . ? O2 C25 N2 123.91(15) . . ? O2 C25 C20 127.94(15) . . ? N2 C25 C20 108.14(13) . . ? C27 C26 N2 115.99(15) . . ? C27 C26 C31 121.91(16) . . ? C31 C26 N2 122.09(15) . . ? C26 C27 H27 119.6 . . ? C28 C27 C26 120.89(17) . . ? C28 C27 H27 119.6 . . ? C27 C28 H28 120.8 . . ? C29 C28 C27 118.47(17) . . ? C29 C28 H28 120.8 . . ? C28 C29 H29 119.9 . . ? C30 C29 C28 120.28(17) . . ? C30 C29 H29 119.9 . . ? C29 C30 H30 118.4 . . ? C29 C30 C31 123.25(17) . . ? C31 C30 H30 118.4 . . ? C26 C31 C32 124.37(14) . . ? C30 C31 C26 115.18(15) . . ? C30 C31 C32 120.45(15) . . ? C33 C32 C31 109.95(13) . . ? C33 C32 C34 110.38(14) . . ? C34 C32 C31 111.68(13) . . ? C35 C32 C31 111.43(14) . . ? C35 C32 C33 106.81(14) . . ? C35 C32 C34 106.42(15) . . ? C32 C33 H33A 109.5 . . ? C32 C33 H33B 109.5 . . ? C32 C33 H33C 109.5 . . ? H33A C33 H33B 109.5 . . ? H33A C33 H33C 109.5 . . ? H33B C33 H33C 109.5 . . ? C32 C34 H34A 109.5 . . ? C32 C34 H34B 109.5 . . ? C32 C34 H34C 109.5 . . ? H34A C34 H34B 109.5 . . ? H34A C34 H34C 109.5 . . ? H34B C34 H34C 109.5 . . ? C32 C35 H35A 109.5 . . ? C32 C35 H35B 109.5 . . ? C32 C35 H35C 109.5 . . ? H35A C35 H35B 109.5 . . ? H35A C35 H35C 109.5 . . ? H35B C35 H35C 109.5 . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag O1 C24 1.209(2) . ? O2 C25 1.204(2) . ? N1 C11 1.349(3) . ? N1 C15 1.337(3) . ? N2 C24 1.399(2) . ? N2 C25 1.400(2) . ? N2 C26 1.442(2) . ? C1 H1 0.9500 . ? C1 C2 1.369(3) . ? C1 C6 1.423(3) . ? C2 H2 0.9500 . ? C2 C3 1.402(3) . ? C3 H3 0.9500 . ? C3 C4 1.363(3) . ? C4 H4 0.9500 . ? C4 C5 1.424(2) . ? C5 C6 1.420(3) . ? C5 C10 1.414(3) . ? C6 C7 1.428(2) . ? C7 C8 1.385(2) . ? C7 C11 1.501(2) . ? C8 C9 1.418(3) . ? C8 C17 1.524(2) . ? C9 H9 0.9500 . ? C9 C10 1.366(3) . ? C10 H10 0.9500 . ? C11 C12 1.399(3) . ? C12 C13 1.405(3) . ? C12 C16 1.497(4) . ? C13 H13 0.9500 . ? C13 C14 1.383(5) . ? C14 H14 0.9500 . ? C14 C15 1.365(4) . ? C15 H15 0.9500 . ? C16 H16A 0.9800 . ? C16 H16B 0.9800 . ? C16 H16C 0.9800 . ? C17 H17 1.0000 . ? C17 C18 1.565(2) . ? C17 C22 1.555(2) . ? C18 H18A 0.9900 . ? C18 H18B 0.9900 . ? C18 C19 1.537(2) . ? C19 H19 1.0000 . ? C19 C20 1.539(2) . ? C19 C23 1.532(2) . ? C20 H20 1.0000 . ? C20 C21 1.550(2) . ? C20 C25 1.514(2) . ? C21 H21 1.0000 . ? C21 C22 1.544(2) . ? C21 C24 1.509(2) . ? C22 H22 1.0000 . ? C22 C23 1.536(2) . ? C23 H23A 0.9900 . ? C23 H23B 0.9900 . ? C26 C27 1.387(2) . ? C26 C31 1.410(2) . ? C27 H27 0.9500 . ? C27 C28 1.386(3) . ? C28 H28 0.9500 . ? C28 C29 1.383(3) . ? C29 H29 0.9500 . ? C29 C30 1.379(3) . ? C30 H30 0.9500 . ? C30 C31 1.398(2) . ? C31 C32 1.542(2) . ? C32 C33 1.538(2) . ? C32 C34 1.539(2) . ? C32 C35 1.535(2) . ? C33 H33A 0.9800 . ? C33 H33B 0.9800 . ? C33 H33C 0.9800 . ? C34 H34A 0.9800 . ? C34 H34B 0.9800 . ? C34 H34C 0.9800 . ? C35 H35A 0.9800 . ? C35 H35B 0.9800 . ? C35 H35C 0.9800 . ? 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 N1 C11 C12 C13 -1.8(3) . . . . ? N1 C11 C12 C16 176.48(18) . . . . ? N2 C26 C27 C28 177.53(15) . . . . ? N2 C26 C31 C30 -177.69(14) . . . . ? N2 C26 C31 C32 3.0(2) . . . . ? C1 C2 C3 C4 0.6(3) . . . . ? C1 C6 C7 C8 -179.99(16) . . . . ? C1 C6 C7 C11 -1.2(3) . . . . ? C2 C1 C6 C5 0.8(3) . . . . ? C2 C1 C6 C7 -179.23(18) . . . . ? C2 C3 C4 C5 0.9(3) . . . . ? C3 C4 C5 C6 -1.5(3) . . . . ? C3 C4 C5 C10 178.17(19) . . . . ? C4 C5 C6 C1 0.6(2) . . . . ? C4 C5 C6 C7 -179.36(16) . . . . ? C4 C5 C10 C9 179.82(18) . . . . ? C5 C6 C7 C8 0.0(2) . . . . ? C5 C6 C7 C11 178.82(15) . . . . ? C6 C1 C2 C3 -1.4(3) . . . . ? C6 C5 C10 C9 -0.5(3) . . . . ? C6 C7 C8 C9 -1.4(2) . . . . ? C6 C7 C8 C17 179.74(15) . . . . ? C6 C7 C11 N1 -99.33(19) . . . . ? C6 C7 C11 C12 79.0(2) . . . . ? C7 C8 C9 C10 1.9(3) . . . . ? C7 C8 C17 C18 -159.97(15) . . . . ? C7 C8 C17 C22 82.47(19) . . . . ? C7 C11 C12 C13 -179.94(16) . . . . ? C7 C11 C12 C16 -1.7(3) . . . . ? C8 C7 C11 N1 79.5(2) . . . . ? C8 C7 C11 C12 -102.2(2) . . . . ? C8 C9 C10 C5 -0.9(3) . . . . ? C8 C17 C18 C19 -122.25(16) . . . . ? C8 C17 C22 C21 -162.45(14) . . . . ? C8 C17 C22 C23 90.89(16) . . . . ? C9 C8 C17 C18 21.2(2) . . . . ? C9 C8 C17 C22 -96.34(19) . . . . ? C10 C5 C6 C1 -179.02(17) . . . . ? C10 C5 C6 C7 1.0(2) . . . . ? C11 N1 C15 C14 1.1(3) . . . . ? C11 C7 C8 C9 179.80(16) . . . . ? C11 C7 C8 C17 0.9(2) . . . . ? C11 C12 C13 C14 1.6(3) . . . . ? C12 C13 C14 C15 -0.1(3) . . . . ? C13 C14 C15 N1 -1.3(3) . . . . ? C15 N1 C11 C7 178.79(16) . . . . ? C15 N1 C11 C12 0.5(3) . . . . ? C16 C12 C13 C14 -176.7(2) . . . . ? C17 C8 C9 C10 -179.29(17) . . . . ? C17 C18 C19 C20 -72.22(16) . . . . ? C17 C18 C19 C23 33.95(16) . . . . ? C17 C22 C23 C19 55.68(14) . . . . ? C18 C17 C22 C21 71.01(15) . . . . ? C18 C17 C22 C23 -35.64(16) . . . . ? C18 C19 C20 C21 69.05(16) . . . . ? C18 C19 C20 C25 -179.17(13) . . . . ? C18 C19 C23 C22 -54.64(15) . . . . ? C19 C20 C21 C22 3.25(16) . . . . ? C19 C20 C21 C24 123.87(13) . . . . ? C19 C20 C25 O2 53.9(2) . . . . ? C19 C20 C25 N2 -124.97(14) . . . . ? C20 C19 C23 C22 56.29(14) . . . . ? C20 C21 C22 C17 -74.64(15) . . . . ? C20 C21 C22 C23 32.14(16) . . . . ? C20 C21 C24 O1 -174.84(17) . . . . ? C20 C21 C24 N2 5.20(17) . . . . ? C21 C20 C25 O2 165.14(16) . . . . ? C21 C20 C25 N2 -13.73(16) . . . . ? C21 C22 C23 C19 -54.16(14) . . . . ? C22 C17 C18 C19 1.04(17) . . . . ? C22 C21 C24 O1 -61.9(2) . . . . ? C22 C21 C24 N2 118.11(15) . . . . ? C23 C19 C20 C21 -37.63(16) . . . . ? C23 C19 C20 C25 74.15(16) . . . . ? C24 N2 C25 O2 -160.67(16) . . . . ? C24 N2 C25 C20 18.26(17) . . . . ? C24 N2 C26 C27 77.1(2) . . . . ? C24 N2 C26 C31 -104.09(18) . . . . ? C24 C21 C22 C17 171.30(13) . . . . ? C24 C21 C22 C23 -81.93(16) . . . . ? C25 N2 C24 O1 165.29(16) . . . . ? C25 N2 C24 C21 -14.75(18) . . . . ? C25 N2 C26 C27 -85.23(19) . . . . ? C25 N2 C26 C31 93.56(18) . . . . ? C25 C20 C21 C22 -115.57(14) . . . . ? C25 C20 C21 C24 5.05(16) . . . . ? C26 N2 C24 O1 1.3(3) . . . . ? C26 N2 C24 C21 -178.74(14) . . . . ? C26 N2 C25 O2 3.6(2) . . . . ? C26 N2 C25 C20 -177.45(14) . . . . ? C26 C27 C28 C29 0.4(3) . . . . ? C26 C31 C32 C33 61.9(2) . . . . ? C26 C31 C32 C34 -61.0(2) . . . . ? C26 C31 C32 C35 -179.86(15) . . . . ? C27 C26 C31 C30 1.0(2) . . . . ? C27 C26 C31 C32 -178.26(15) . . . . ? C27 C28 C29 C30 0.6(3) . . . . ? C28 C29 C30 C31 -0.8(3) . . . . ? C29 C30 C31 C26 0.0(2) . . . . ? C29 C30 C31 C32 179.33(15) . . . . ? C30 C31 C32 C33 -117.34(16) . . . . ? C30 C31 C32 C34 119.77(17) . . . . ? C30 C31 C32 C35 0.9(2) . . . . ? C31 C26 C27 C28 -1.3(3) . . . . ?