#------------------------------------------------------------------------------ #$Date: 2024-11-21 01:11:35 +0200 (Thu, 21 Nov 2024) $ #$Revision: 296022 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/57/32/1573237.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_1573237 loop_ _publ_author_name 'Dai, Hui' 'Liang, Yaohui' 'Long, Xiang' 'Tang, Tianyi' 'Xie, Haozhi' 'Ma, Zhiwei' 'Li, Gaoyu' 'Yang, Zhiyong' 'Zhao, Juan' 'Chi, Zhenguo' _publ_section_title ; Effective Design Strategy for Thermally Activated Delayed Fluorescence Emitters with Aggregation-Induced emission to Enable Sky-blue OLEDs Achieving EQE Nearly 30% ; _journal_name_full 'Chemical Science' _journal_paper_doi 10.1039/D4SC06613H _journal_year 2024 _chemical_formula_moiety 'C37 H22 N2 O2' _chemical_formula_sum 'C37 H22 N2 O2' _chemical_formula_weight 526.56 _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 _atom_sites_solution_primary dual _audit_creation_date 2024-04-16 _audit_creation_method ; Olex2 1.3 (compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408) ; _audit_update_record ; 2024-09-27 deposited with the CCDC. 2024-11-18 downloaded from the CCDC. ; _cell_angle_alpha 102.633(6) _cell_angle_beta 91.040(6) _cell_angle_gamma 92.503(6) _cell_formula_units_Z 2 _cell_length_a 5.7116(5) _cell_length_b 12.3669(9) _cell_length_c 18.6670(14) _cell_measurement_reflns_used 3285 _cell_measurement_temperature 149.99(10) _cell_measurement_theta_max 32.3000 _cell_measurement_theta_min 3.0680 _cell_volume 1284.87(18) _computing_cell_refinement 'CrysAlisPro 1.171.42.92a (Rigaku OD, 2023)' _computing_data_collection 'CrysAlisPro 1.171.42.92a (Rigaku OD, 2023)' _computing_data_reduction 'CrysAlisPro 1.171.42.92a (Rigaku OD, 2023)' _computing_molecular_graphics 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2014/7 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 149.99(10) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 5.2913 _diffrn_detector_type AtlasS2 _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.884 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames #-------------------------------------------------------------------------- 1 \w -14.00 12.00 1.00 75.00 -- -18.96 -77.00 -60.00 26 2 \w -97.00 -70.00 1.00 75.00 -- -18.96 178.00 -60.00 27 3 \w -29.00 7.00 1.00 75.00 -- -18.96 -77.00-150.00 36 4 \w -49.00 46.00 1.00 75.00 -- 19.90 -57.00 60.00 95 5 \w -43.00 47.00 1.00 75.00 -- 19.90 -57.00 -60.00 90 6 \w -1.00 90.00 1.00 75.00 -- 19.90 57.00-150.00 91 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'SuperNova, Dual, Cu at home/near, AtlasS2' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.0164143000 _diffrn_orient_matrix_UB_12 0.0577626000 _diffrn_orient_matrix_UB_13 0.0058484000 _diffrn_orient_matrix_UB_21 0.1096089000 _diffrn_orient_matrix_UB_22 0.0111523000 _diffrn_orient_matrix_UB_23 0.0192852000 _diffrn_orient_matrix_UB_31 0.0563962000 _diffrn_orient_matrix_UB_32 0.0014739000 _diffrn_orient_matrix_UB_33 -0.0333385000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0433 _diffrn_reflns_av_unetI/netI 0.0990 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.884 _diffrn_reflns_limit_h_max 8 _diffrn_reflns_limit_h_min -8 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_l_max 26 _diffrn_reflns_limit_l_min -27 _diffrn_reflns_number 14566 _diffrn_reflns_point_group_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.884 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 32.946 _diffrn_reflns_theta_min 2.490 _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_source_type 'SuperNova (Mo) X-ray Source' _exptl_absorpt_coefficient_mu 0.085 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.53137 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.42.92a (Rigaku Oxford Diffraction, 2023) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour 'clear light yellow' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_modifier light _exptl_crystal_colour_primary yellow _exptl_crystal_density_diffrn 1.361 _exptl_crystal_description block _exptl_crystal_F_000 548 _exptl_crystal_size_max 0.18 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.08 _refine_diff_density_max 0.360 _refine_diff_density_min -0.321 _refine_diff_density_rms 0.060 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 0.991 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 370 _refine_ls_number_reflns 8535 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 0.991 _refine_ls_R_factor_all 0.1437 _refine_ls_R_factor_gt 0.0737 _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^)+(0.0691P)^2^+0.2868P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1544 _refine_ls_wR_factor_ref 0.1950 _reflns_Friedel_coverage 0.000 _reflns_number_gt 4629 _reflns_number_total 8535 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d4sc06613h2.cif _cod_data_source_block a24032102a0843 _cod_database_code 1573237 _shelx_shelxl_version_number 2014/7 _chemical_oxdiff_formula C37H22N2O2 _chemical_oxdiff_usercomment CHON _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. ; _reflns_odcompleteness_completeness 99.91 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 30.44 _olex2_refinement_description ; 1.a Aromatic/amide H refined with riding coordinates: C1(H1), C2(H2), C3(H3), C4(H4), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11), C15(H15), C16(H16), C20(H20), C21(H21), C22(H22), C23(H23), C26(H26), C27(H27), C30(H30), C33(H33), C34(H34), C35(H35), C36(H36) ; _shelx_res_file ; a24032102a0843.res created by SHELXL-2014/7 TITL a24032102a0843_a.res in P-1 REM Old TITL REM SHELXT solution in P-1 REM R1 0.148, Rweak 0.019, Alpha 0.054, Orientation as input REM Formula found by SHELXT: C37 N2 O2 CELL 0.71073 5.7116 12.3669 18.667 102.633 91.04 92.503 ZERR 2 0.0005 0.0009 0.0014 0.006 0.006 0.006 LATT 1 SFAC C H N O UNIT 74 44 4 4 L.S. 30 PLAN 5 TEMP -123 CONF BOND $H list 4 MORE -1 fmap 2 acta OMIT 6 -5 4 OMIT 4 5 12 OMIT 6 -1 7 OMIT 0 3 24 OMIT 0 0 3 REM REM REM WGHT 0.069100 0.286800 FVAR 0.66504 O1 4 0.707163 0.519554 0.093343 11.00000 0.03288 0.03628 = 0.02763 0.01497 -0.00093 -0.00335 O2 4 1.318954 0.629018 0.211163 11.00000 0.03558 0.04248 = 0.03465 0.00558 -0.00166 -0.00863 N1 3 0.481602 0.285116 0.253727 11.00000 0.03537 0.02923 = 0.02562 0.00976 0.00478 -0.00135 N2 3 -0.134732 0.137076 0.383887 11.00000 0.03157 0.02638 = 0.02749 0.00552 0.00651 0.00015 C1 1 -0.050847 -0.160098 0.306007 11.00000 0.03196 0.02872 = 0.04135 0.00548 0.00690 0.00573 AFIX 43 H1 2 0.064910 -0.213068 0.305676 11.00000 -1.20000 AFIX 0 C2 1 -0.259669 -0.191230 0.267025 11.00000 0.03384 0.03006 = 0.03732 -0.00295 0.00884 -0.00264 AFIX 43 H2 2 -0.286598 -0.265260 0.239708 11.00000 -1.20000 AFIX 0 C3 1 -0.429456 -0.114881 0.267696 11.00000 0.02664 0.04355 = 0.03357 -0.00026 0.00116 -0.00244 AFIX 43 H3 2 -0.573901 -0.136638 0.241377 11.00000 -1.20000 AFIX 0 C4 1 -0.388914 -0.006154 0.306908 11.00000 0.02688 0.03657 = 0.03174 0.00803 0.00178 0.00654 AFIX 43 H4 2 -0.505742 0.046448 0.307751 11.00000 -1.20000 AFIX 0 C5 1 -0.178087 0.024879 0.344571 11.00000 0.02538 0.02498 = 0.02582 0.00592 0.00375 -0.00078 C6 1 -0.008805 -0.051956 0.345681 11.00000 0.02308 0.03033 = 0.03426 0.00594 0.00282 0.00039 AFIX 43 H6 2 0.133759 -0.030848 0.373190 11.00000 -1.20000 AFIX 0 C7 1 -0.229564 0.178626 0.452710 11.00000 0.03331 0.03031 = 0.02356 0.00711 0.00395 0.00630 C8 1 -0.419306 0.136466 0.484785 11.00000 0.03410 0.03382 = 0.03358 0.00987 0.00491 0.00201 AFIX 43 H8 2 -0.503376 0.070024 0.460854 11.00000 -1.20000 AFIX 0 C9 1 -0.481891 0.195472 0.553592 11.00000 0.03698 0.04302 = 0.03172 0.01159 0.01113 0.00553 AFIX 43 H9 2 -0.612803 0.169413 0.576805 11.00000 -1.20000 AFIX 0 C10 1 -0.355979 0.292106 0.589060 11.00000 0.05028 0.03853 = 0.02688 0.00637 0.00807 0.00735 AFIX 43 H10 2 -0.401764 0.330556 0.636114 11.00000 -1.20000 AFIX 0 C11 1 -0.165824 0.332596 0.556719 11.00000 0.04720 0.03408 = 0.02479 0.00637 0.00391 0.00354 AFIX 43 H11 2 -0.080949 0.398476 0.581227 11.00000 -1.20000 AFIX 0 C12 1 -0.099371 0.275494 0.487376 11.00000 0.03592 0.02500 = 0.02430 0.00680 0.00327 0.00575 C13 1 0.053719 0.207950 0.374803 11.00000 0.03040 0.02293 = 0.02632 0.00866 0.00150 0.00171 C14 1 0.083711 0.294256 0.437628 11.00000 0.03524 0.02454 = 0.02309 0.00740 -0.00028 0.00232 C15 1 0.256411 0.378511 0.441810 11.00000 0.04242 0.02749 = 0.02483 0.00575 -0.00160 -0.00029 AFIX 43 H15 2 0.273020 0.436208 0.484779 11.00000 -1.20000 AFIX 0 C16 1 0.404119 0.378993 0.383950 11.00000 0.03664 0.02841 = 0.02790 0.00877 0.00007 -0.00281 AFIX 43 H16 2 0.525456 0.434943 0.386812 11.00000 -1.20000 AFIX 0 C17 1 0.368212 0.294138 0.321148 11.00000 0.03479 0.02546 = 0.02374 0.00872 0.00089 0.00289 C18 1 0.192207 0.208342 0.312836 11.00000 0.03142 0.02349 = 0.02755 0.01002 0.00205 0.00362 C19 1 0.191775 0.147300 0.236735 11.00000 0.03469 0.02453 = 0.02557 0.00679 0.00310 0.00335 C20 1 0.054612 0.059077 0.193855 11.00000 0.04124 0.03132 = 0.03069 0.00421 0.00601 0.00093 AFIX 43 H20 2 -0.073104 0.026040 0.214603 11.00000 -1.20000 AFIX 0 C21 1 0.107384 0.020874 0.121214 11.00000 0.05432 0.03431 = 0.03198 0.00002 0.00555 -0.00603 AFIX 43 H21 2 0.012581 -0.037817 0.091769 11.00000 -1.20000 AFIX 0 C22 1 0.296485 0.066444 0.090131 11.00000 0.06020 0.03452 = 0.02874 0.00056 0.01106 -0.00053 AFIX 43 H22 2 0.332140 0.036713 0.040402 11.00000 -1.20000 AFIX 0 C23 1 0.433494 0.154578 0.130703 11.00000 0.04555 0.03318 = 0.03360 0.00771 0.01243 -0.00044 AFIX 43 H23 2 0.563945 0.185418 0.109866 11.00000 -1.20000 AFIX 0 C24 1 0.373570 0.196347 0.202945 11.00000 0.03698 0.02449 = 0.02702 0.00665 0.00271 0.00213 C25 1 0.643464 0.365134 0.236076 11.00000 0.03187 0.02692 = 0.02820 0.00893 0.00564 0.00382 C26 1 0.845782 0.401089 0.280027 11.00000 0.03219 0.03527 = 0.02791 0.01281 0.00199 0.00542 AFIX 43 H26 2 0.873699 0.373842 0.323053 11.00000 -1.20000 AFIX 0 C27 1 1.003029 0.475818 0.260499 11.00000 0.03180 0.03416 = 0.02513 0.00581 -0.00162 0.00403 AFIX 43 H27 2 1.140055 0.499759 0.290353 11.00000 -1.20000 AFIX 0 C28 1 0.965945 0.517671 0.197408 11.00000 0.02867 0.02685 = 0.02529 0.00595 0.00285 0.00172 C29 1 0.762578 0.482188 0.155520 11.00000 0.03142 0.02583 = 0.02407 0.00714 0.00192 0.00347 C30 1 0.601000 0.406444 0.174232 11.00000 0.03093 0.03015 = 0.02681 0.00872 0.00006 -0.00120 AFIX 43 H30 2 0.462757 0.383279 0.144829 11.00000 -1.20000 AFIX 0 C31 1 0.862388 0.593059 0.070800 11.00000 0.03357 0.02580 = 0.02672 0.00717 0.00557 0.00217 C32 1 1.071958 0.632045 0.108550 11.00000 0.03258 0.02565 = 0.02543 0.00234 0.00560 0.00079 C33 1 1.219163 0.705902 0.080752 11.00000 0.03994 0.03124 = 0.03304 0.00355 0.00906 -0.00503 AFIX 43 H33 2 1.363257 0.733546 0.105667 11.00000 -1.20000 AFIX 0 C34 1 1.155531 0.738455 0.017499 11.00000 0.05220 0.03708 = 0.03652 0.01220 0.01465 -0.00308 AFIX 43 H34 2 1.256173 0.788249 -0.001235 11.00000 -1.20000 AFIX 0 C35 1 0.944279 0.698688 -0.019117 11.00000 0.04965 0.03784 = 0.02946 0.01172 0.00627 0.00461 AFIX 43 H35 2 0.901530 0.721922 -0.062616 11.00000 -1.20000 AFIX 0 C36 1 0.795780 0.625736 0.007058 11.00000 0.03899 0.03669 = 0.02915 0.01158 0.00259 0.00420 AFIX 43 H36 2 0.651576 0.598594 -0.017963 11.00000 -1.20000 AFIX 0 C37 1 1.136391 0.595946 0.175880 11.00000 0.03041 0.02642 = 0.02628 0.00119 0.00326 0.00145 HKLF 4 REM a24032102a0843_a.res in P-1 REM R1 = 0.0737 for 4629 Fo > 4sig(Fo) and 0.1437 for all 8535 data REM 370 parameters refined using 0 restraints END WGHT 0.0646 0.0837 REM Highest difference peak 0.360, deepest hole -0.321, 1-sigma level 0.060 Q1 1 1.0426 0.5575 0.1936 11.00000 0.05 0.36 Q2 1 0.9741 0.4964 0.2270 11.00000 0.05 0.33 Q3 1 0.5654 0.3193 0.2416 11.00000 0.05 0.32 Q4 1 0.6873 0.4323 0.1637 11.00000 0.05 0.32 Q5 1 0.6333 0.3915 0.2084 11.00000 0.05 0.30 ; _shelx_res_checksum 64104 _shelx_hkl_file ; 0 0 -3 67.00 3.07 0 0 -3 79.67 2.90 0 0 3 71.76 3.09 0 0 -4 158.79 5.20 0 0 4 148.61 3.45 0 0 -4 141.67 3.62 0 0 -4 164.44 4.77 0 0 4 161.14 5.29 0 0 -5 4.23 0.99 0 0 5 2.13 0.88 0 0 -5 5.41 0.78 0 0 -5 6.47 0.92 0 0 5 6.09 1.19 0 0 -6 194.66 6.93 0 0 6 203.23 5.35 0 0 -6 202.61 5.12 0 0 -6 209.98 6.31 0 0 6 189.54 7.05 0 0 -7 15.00 2.09 0 0 7 12.96 1.65 0 0 -7 14.92 1.72 0 0 -7 19.73 2.24 0 0 -8 2.54 1.24 0 0 -8 3.69 1.31 0 0 8 2.33 0.89 0 0 -8 3.49 1.25 0 0 -9 327.31 10.79 0 0 9 338.56 9.22 0 0 -9 316.27 8.53 0 0 -9 356.93 9.92 0 0 -10 154.07 7.82 0 0 -10 147.09 6.11 0 0 10 146.74 6.67 0 0 -10 165.01 7.05 0 0 -11 472.27 14.55 0 0 11 414.20 12.24 0 0 -11 452.28 11.59 0 0 -11 467.42 12.24 0 0 12 28.96 4.65 0 0 12 24.26 6.28 0 0 -12 22.07 3.31 0 0 12 25.47 3.45 0 0 -12 28.56 3.26 0 0 -12 26.00 3.07 0 0 13 17.81 3.72 0 0 13 18.63 5.96 0 0 -13 14.92 2.52 0 0 13 12.71 2.60 0 0 -13 17.13 2.66 0 0 14 13.35 3.20 0 0 14 9.88 4.85 0 0 14 13.27 3.19 0 0 -14 12.30 2.39 0 0 15 4.04 1.96 0 0 15 5.45 4.09 0 0 15 3.47 2.52 0 0 -15 3.77 1.48 0 0 16 101.88 9.81 0 0 16 128.73 16.91 0 0 16 119.12 8.64 0 0 -16 109.76 7.20 0 0 17 189.37 21.45 0 0 17 164.62 11.09 0 0 -17 152.06 8.96 0 0 18 -0.56 2.00 0 0 18 0.61 2.46 0 0 -18 1.13 0.76 0 0 19 9.07 5.22 0 0 19 5.31 2.71 0 0 -19 4.43 1.72 0 0 20 4.40 3.42 0 0 20 4.97 2.44 0 0 -20 5.40 2.30 0 0 21 9.69 5.73 0 0 21 13.62 3.71 0 0 -21 16.03 3.68 0 0 22 7.17 5.27 0 0 23 5.80 5.49 0 0 24 0.68 3.25 0 0 25 -0.95 2.61 0 0 26 8.52 8.14 0 -1 26 82.42 19.65 0 -1 25 4.09 3.24 0 -1 24 6.43 5.36 0 -1 23 6.46 6.00 0 -1 22 7.30 3.90 0 1 -22 6.00 2.37 0 -1 21 3.57 3.96 0 -1 21 -0.52 1.41 0 1 -21 -0.65 0.92 0 -1 20 65.42 14.48 0 -1 20 51.95 6.30 0 1 -20 37.09 5.27 0 -1 19 0.71 3.44 0 -1 19 -0.68 1.41 0 1 -19 0.70 0.99 0 -1 18 150.02 20.40 0 -1 18 124.65 9.28 0 1 -18 104.35 8.20 0 -1 17 99.47 8.80 0 -1 17 133.47 18.19 0 -1 17 108.34 8.30 0 1 -17 135.27 8.97 0 -1 16 -0.85 0.90 0 -1 16 1.38 2.05 0 1 -16 -0.04 1.04 0 -1 15 52.48 6.09 0 -1 15 61.74 11.61 0 -1 15 48.77 5.20 0 1 -15 60.01 5.44 0 -1 14 2.96 1.37 0 -1 14 2.11 1.56 0 1 -14 4.36 1.48 0 -1 13 2.89 1.14 0 -1 13 4.28 1.55 0 1 -13 3.60 0.97 0 -1 12 570.48 17.50 0 -1 12 622.30 25.52 0 -1 12 569.35 13.83 0 1 -12 600.49 15.03 0 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11.67 0 1 -4 746.54 10.48 0 1 -3 330.99 6.79 0 1 -3 335.57 8.23 0 -1 3 322.29 8.34 0 1 -3 338.97 6.27 0 -1 3 331.53 6.76 0 1 -2 877.99 8.83 0 -1 -2 190.68 7.78 0 1 2 188.64 4.04 0 -1 -3 986.17 20.60 0 1 3 973.02 10.38 0 -1 -3 925.79 9.90 0 -1 -4 4.81 2.34 0 -1 -4 12.65 1.60 0 1 4 10.16 1.25 0 -1 -5 278.53 7.59 0 1 5 258.44 6.47 0 -1 -5 265.92 6.07 0 -1 -5 278.46 6.72 0 -1 -6 133.31 5.78 0 1 6 130.17 5.10 0 -1 -6 128.40 4.55 0 -1 -6 134.31 5.02 0 -1 -7 130.19 6.07 0 -1 -7 119.06 4.85 0 1 7 118.01 5.10 0 -1 -7 131.56 5.29 0 -1 -8 160.46 7.37 0 -1 -8 168.78 6.14 0 1 8 177.49 7.03 0 -1 -8 180.85 6.68 0 -1 -9 129.18 6.78 0 1 9 126.94 6.50 0 -1 -9 132.81 5.80 0 -1 -9 140.75 6.04 0 -1 -10 6.76 2.36 0 1 10 13.32 3.40 0 -1 -10 19.78 2.99 0 -1 -10 8.63 2.07 0 -1 -11 304.33 11.36 0 1 11 282.92 10.89 0 -1 -11 312.17 10.33 0 -1 -11 326.00 9.89 0 -1 -12 0.56 1.05 0 1 12 3.05 2.76 0 1 12 0.24 1.77 0 -1 -12 -0.53 0.91 0 1 13 38.41 8.18 0 -1 -13 32.07 4.23 0 1 13 35.60 4.35 0 -1 -13 40.62 3.78 0 1 14 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4.52 3.13 0 6 -23 2.61 2.74 0 6 -22 10.14 3.67 0 6 -21 70.93 9.34 0 6 -20 17.39 4.38 0 6 -19 44.62 6.84 0 6 -18 7.80 3.11 0 6 -17 54.96 7.17 0 6 -16 21.50 4.49 0 6 -15 7.88 2.90 0 6 -14 1.55 1.59 0 -6 14 -3.06 2.81 0 6 -14 2.75 1.64 0 -6 13 1.88 2.41 0 6 -13 1.69 1.43 0 6 -13 0.35 1.07 0 6 -12 63.27 8.25 0 -6 12 48.87 6.31 0 6 -12 54.73 6.24 0 6 -11 0.90 1.86 0 -6 11 5.87 2.81 0 6 -11 1.75 1.38 0 6 -10 64.65 8.02 0 -6 10 60.68 6.25 0 6 -10 55.00 4.04 0 6 -10 65.06 6.27 0 6 -9 5.01 1.63 0 -6 9 0.98 1.54 0 -6 9 2.24 0.46 0 6 -9 2.26 0.80 0 -6 8 1.28 1.63 0 6 -8 3.34 1.43 0 -6 8 1.62 0.47 0 6 -8 0.67 1.13 0 -6 7 6.79 0.86 0 6 -7 8.23 2.20 0 -6 6 1.61 0.60 0 6 -6 0.68 0.82 0 6 -6 0.22 1.01 0 -6 5 186.07 8.73 0 6 -5 188.59 8.52 0 -6 5 183.20 5.53 0 6 -5 194.16 9.61 0 -6 4 2.89 1.44 0 -6 4 1.06 0.62 0 6 -4 3.34 1.55 0 6 -4 2.18 1.08 0 -6 4 1.54 0.97 0 6 -3 30.58 3.99 0 -6 3 39.99 3.34 0 -6 3 27.58 3.41 0 6 -3 33.98 4.16 0 -6 2 33.25 2.88 0 6 -2 31.13 3.92 0 -6 2 28.43 3.26 0 6 -2 28.09 3.44 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-27 1.29 2.25 0 7 -26 7.55 4.11 0 7 -25 4.15 3.49 0 7 -24 -3.79 3.66 0 7 -23 1.74 2.49 0 7 -22 2.59 2.28 0 7 -21 16.95 4.77 0 7 -20 3.14 1.97 0 7 -19 31.59 6.19 0 7 -18 0.91 1.66 0 7 -17 110.39 10.69 0 7 -16 91.56 9.39 0 7 -15 0.98 1.99 0 -7 15 4.59 2.69 0 7 -15 2.35 1.78 0 7 -14 81.44 10.63 0 -7 14 55.92 7.90 0 7 -14 74.47 8.41 0 7 -13 3.75 2.39 0 -7 13 2.92 2.43 0 7 -13 3.94 1.77 0 7 -12 144.60 13.11 0 -7 12 123.90 10.45 0 7 -12 131.32 9.99 0 7 -11 182.61 14.36 0 -7 11 168.10 11.45 0 7 -11 145.11 7.32 0 7 -11 167.63 11.19 0 -7 10 31.02 4.71 0 7 -10 26.09 3.47 0 7 -10 25.24 4.12 0 7 -9 26.50 3.69 0 -7 9 34.34 4.65 0 -7 9 27.09 1.75 0 7 -9 29.37 4.51 0 -7 8 54.44 5.56 0 -7 8 51.66 2.61 0 7 -8 54.03 5.86 0 -7 7 146.13 8.77 0 -7 7 138.73 4.63 0 7 -7 155.71 8.17 0 7 -7 143.30 9.30 0 -7 6 76.27 3.73 0 7 -6 79.29 5.93 0 7 -6 81.69 6.79 0 7 -5 183.37 9.28 0 -7 5 179.75 6.10 0 7 -5 184.10 10.11 0 -7 4 38.59 3.04 0 7 -4 38.34 4.27 0 7 -4 38.42 4.61 0 -7 3 1.75 0.70 0 -7 3 1.63 1.13 0 7 -3 0.61 1.85 0 7 -3 4.30 1.34 0 7 -2 539.14 17.08 0 -7 2 568.69 12.78 0 7 -2 555.74 17.35 0 7 -1 8.91 2.30 0 -7 1 8.74 1.75 0 7 -1 13.14 2.70 0 -7 1 10.03 2.02 0 -7 0 23.39 2.64 0 7 0 19.77 3.52 0 -7 0 20.24 2.94 0 7 0 31.53 4.30 0 7 1 149.43 9.42 0 -7 -1 163.93 8.18 0 7 1 166.74 9.65 0 7 2 42.62 5.26 0 -7 -2 50.07 4.37 0 7 3 75.98 7.33 0 -7 -3 84.28 5.81 0 7 4 14.49 3.76 0 -7 -4 18.67 2.75 0 7 5 32.24 5.21 0 -7 -5 39.42 3.79 0 7 6 4.47 3.51 0 -7 -6 7.11 1.58 0 7 7 10.80 3.99 0 -7 -7 25.53 3.01 0 7 8 18.91 4.67 0 -7 -8 15.83 2.19 0 7 9 211.34 13.83 0 -7 -9 164.74 6.75 0 -7 -10 68.98 4.44 0 7 10 74.61 8.20 0 -7 -10 50.08 3.48 0 -7 -11 106.63 5.30 0 7 11 103.23 10.29 0 -7 -11 122.39 4.78 0 7 12 20.48 5.45 0 -7 -12 27.66 2.07 0 7 13 -2.19 4.04 0 7 14 -3.62 3.28 0 7 15 -4.68 3.22 0 7 16 4.78 3.19 0 7 17 14.89 5.25 0 7 18 13.65 3.85 0 7 19 17.76 5.90 0 7 20 126.48 15.53 0 7 21 -1.08 3.49 0 7 22 6.33 4.62 0 7 23 9.14 4.43 0 8 -27 1.59 3.51 0 8 -26 21.17 6.82 0 8 -25 6.20 3.95 0 8 -24 12.41 4.92 0 8 -23 24.51 6.65 0 8 -22 22.60 5.88 0 8 -21 67.26 9.63 0 8 -20 96.60 11.14 0 8 -19 60.99 8.60 0 8 -18 19.69 4.95 0 8 -17 -0.79 1.92 0 8 -17 -2.36 2.63 0 8 -16 15.59 5.26 0 8 -16 14.59 4.39 0 8 -15 51.12 9.13 0 -8 15 43.54 6.80 0 8 -15 45.76 6.77 0 8 -14 24.28 5.86 0 -8 14 26.56 5.40 0 8 -14 21.97 4.49 0 -8 13 13.90 3.75 0 8 -13 27.74 6.83 0 8 -13 10.19 3.33 0 -8 12 102.96 9.79 0 8 -12 115.59 12.27 0 8 -12 81.60 5.92 0 8 -12 102.95 9.47 0 -8 11 7.64 3.26 0 8 -11 3.68 1.37 0 8 -11 4.87 2.36 0 8 -10 95.78 7.76 0 -8 10 108.03 9.08 0 -8 10 102.26 3.99 0 8 -10 116.96 9.59 0 8 -9 31.99 4.47 0 -8 9 39.84 5.36 0 -8 9 41.90 2.62 0 8 -9 37.99 5.43 0 -8 8 102.01 7.88 0 8 -8 88.49 6.74 0 -8 8 97.45 4.26 0 8 -8 107.16 8.72 0 -8 7 10.46 2.70 0 -8 7 12.58 1.79 0 8 -7 12.09 2.84 0 8 -7 8.09 2.49 0 -8 6 88.47 7.09 0 -8 6 89.97 4.59 0 8 -6 93.98 7.23 0 8 -6 99.40 8.21 0 8 -5 84.70 7.13 0 -8 5 80.67 4.63 0 8 -5 84.20 7.45 0 8 -4 39.09 4.99 0 -8 4 36.90 3.45 0 8 -4 55.53 6.23 0 8 -3 3.22 1.92 0 -8 3 0.17 1.08 0 8 -3 1.60 1.37 0 -8 2 10.43 1.91 0 8 -2 9.19 2.69 0 8 -2 16.02 3.24 0 8 -1 201.92 11.82 0 8 -1 235.30 12.47 0 8 0 63.58 6.71 0 8 0 70.49 6.68 0 8 1 4.53 2.99 0 8 1 3.26 1.75 0 -8 -1 2.81 1.20 0 8 2 27.91 5.07 0 -8 -2 23.02 3.22 0 8 3 13.11 3.34 0 -8 -3 15.50 2.64 0 8 4 77.24 7.93 0 -8 -4 98.74 6.56 0 8 5 9.27 4.26 0 -8 -5 10.40 2.45 0 8 6 60.18 7.31 0 -8 -6 69.82 5.26 0 8 7 8.78 4.23 0 -8 -7 3.03 1.15 0 8 8 326.85 17.79 0 -8 -8 345.79 10.55 0 8 9 91.57 9.39 0 -8 -9 83.70 4.84 0 8 10 -1.47 3.17 0 8 11 63.82 8.25 0 8 12 58.30 8.11 0 8 13 17.13 5.22 0 8 14 16.13 4.60 0 8 15 -5.52 4.27 0 8 16 10.32 4.84 0 8 17 23.77 7.04 0 8 18 26.73 7.49 0 8 19 3.89 5.17 0 8 20 11.79 5.22 0 8 21 3.20 5.40 0 8 22 20.51 6.81 0 9 -27 17.40 6.55 0 9 -26 2.00 3.23 0 9 -25 19.81 6.76 0 9 -24 8.53 4.13 0 9 -23 9.76 4.69 0 9 -22 14.79 5.16 0 9 -21 6.16 3.86 0 9 -20 66.76 9.62 0 9 -19 59.47 8.98 0 9 -18 47.01 9.29 0 9 -18 42.39 7.39 0 9 -17 3.16 4.07 0 9 -17 -1.27 1.77 0 9 -16 19.69 6.66 0 -9 16 24.48 6.48 0 9 -16 14.17 4.35 0 -9 15 15.70 4.97 0 9 -15 7.80 3.88 0 9 -15 10.30 3.65 0 9 -14 49.69 8.78 0 -9 14 37.53 6.56 0 9 -14 36.88 6.12 0 9 -13 -0.05 1.92 0 -9 13 -0.47 2.06 0 9 -13 5.22 1.93 0 9 -13 -1.63 1.89 0 -9 12 376.77 19.22 0 9 -12 328.32 14.38 0 9 -12 354.04 18.08 0 -9 11 401.06 19.08 0 9 -11 326.43 15.20 0 9 -11 385.33 18.39 0 9 -10 63.76 6.78 0 -9 10 86.86 8.64 0 -9 10 67.31 3.80 0 9 -10 79.92 8.43 0 -9 9 105.87 8.97 0 -9 9 93.38 4.60 0 9 -9 104.70 9.54 0 -9 8 35.35 5.26 0 9 -8 29.63 4.59 0 -9 8 32.12 2.82 0 9 -8 32.33 5.16 0 -9 7 88.88 7.68 0 9 -7 95.50 8.06 0 -9 7 86.43 4.82 0 9 -7 88.97 8.56 0 -9 6 0.51 1.38 0 9 -6 -1.81 1.84 0 -9 6 -1.67 1.04 0 9 -6 2.84 2.10 0 -9 5 0.58 1.10 0 -9 5 2.33 1.16 0 9 -5 3.75 2.48 0 9 -5 0.94 2.27 0 9 -4 56.00 6.53 0 -9 4 51.54 4.16 0 9 -4 53.08 6.36 0 9 -3 126.95 9.51 0 9 -3 119.84 9.55 0 9 -2 13.42 3.59 0 9 -2 16.91 3.99 0 9 -1 36.66 5.49 0 9 -1 47.07 5.86 0 9 0 914.24 26.61 0 9 0 940.61 26.52 0 9 1 25.11 4.76 0 9 1 28.40 4.76 0 9 2 18.67 4.93 0 9 3 12.94 4.05 0 9 4 4.44 3.34 0 -9 -4 2.51 1.23 0 9 5 6.68 3.48 0 -9 -5 11.39 2.27 0 9 6 12.23 4.52 0 -9 -6 12.83 2.39 0 9 7 93.45 9.72 0 -9 -7 98.91 6.10 0 9 8 0.47 2.67 0 9 9 124.58 12.02 0 9 10 5.49 4.09 0 9 11 28.23 6.13 0 9 12 3.41 2.63 0 9 13 1.39 2.95 0 9 14 14.52 4.72 0 9 15 -1.40 3.19 0 9 16 -0.66 3.94 0 9 17 11.41 5.06 0 9 18 16.37 5.18 0 9 19 -1.96 4.75 0 9 20 9.52 6.02 0 10 -26 2.07 3.77 0 10 -25 3.24 3.06 0 10 -24 21.94 6.90 0 10 -23 3.86 3.88 0 10 -22 12.28 4.67 0 10 -21 42.23 8.44 0 10 -20 1.14 2.56 0 10 -19 20.03 7.19 0 10 -19 14.73 4.77 0 10 -18 11.91 5.28 0 10 -18 13.41 4.85 0 10 -17 76.30 12.22 0 10 -17 54.73 8.50 0 -10 16 -2.17 3.06 0 10 -16 -1.88 2.21 0 10 -16 -1.51 1.58 0 -10 15 56.56 8.61 0 10 -15 57.17 10.37 0 10 -15 45.15 7.42 0 -10 14 8.98 3.92 0 10 -14 6.45 3.50 0 10 -14 10.85 3.96 0 -10 13 11.08 3.75 0 10 -13 17.27 3.42 0 10 -13 11.94 3.52 0 -10 12 31.44 6.08 0 10 -12 28.48 4.68 0 10 -12 35.25 5.79 0 10 -11 359.03 17.21 0 -10 11 435.09 20.72 0 -10 11 371.66 9.57 0 10 -11 431.14 20.96 0 10 -10 43.82 6.71 0 -10 10 40.22 6.01 0 -10 10 31.88 2.85 0 10 -10 43.39 6.85 0 -10 9 137.95 10.95 0 -10 9 120.51 5.80 0 10 -9 138.18 11.65 0 -10 8 298.98 15.44 0 -10 8 262.46 8.86 0 10 -8 234.96 13.45 0 10 -8 290.06 16.38 0 -10 7 39.46 5.58 0 -10 7 31.95 3.24 0 10 -7 30.40 4.75 0 10 -7 35.30 5.53 0 -10 6 26.69 4.55 0 10 -6 30.48 4.82 0 10 -6 31.25 5.22 0 -10 5 127.54 8.90 0 10 -5 127.03 10.40 0 10 -5 125.96 10.41 0 -10 4 56.26 5.82 0 10 -4 63.63 7.63 0 10 -4 56.14 6.94 0 -10 3 25.74 3.96 0 10 -3 21.04 3.77 0 10 -3 22.67 4.60 0 10 -2 6.44 3.83 0 10 -2 4.27 2.82 0 10 -1 -1.17 2.63 0 10 -1 0.06 1.59 0 10 0 214.83 13.76 0 10 0 216.99 13.83 0 10 1 -0.83 2.62 0 10 2 45.36 7.03 0 10 3 -3.62 3.33 0 10 4 29.42 5.93 0 10 5 51.67 7.85 0 10 6 55.12 8.44 0 10 7 53.85 8.63 0 10 8 35.36 6.35 0 10 9 1.93 3.71 0 10 10 12.97 4.78 0 10 11 11.96 5.09 0 10 12 0.27 3.38 0 10 13 2.39 3.27 0 10 14 12.70 5.20 0 10 15 -5.07 4.01 0 10 16 46.84 9.37 0 10 17 11.73 5.04 0 10 18 9.03 4.82 0 11 -24 -1.83 2.32 0 11 -23 9.85 4.10 0 11 -22 11.82 4.71 0 11 -21 8.44 3.99 0 11 -20 61.53 9.92 0 11 -19 125.75 16.87 0 11 -19 106.11 12.96 0 11 -18 31.71 9.49 0 11 -18 9.15 3.87 0 11 -17 -0.03 2.92 0 11 -17 5.35 2.24 0 11 -16 8.34 5.16 0 -11 16 20.84 6.12 0 11 -16 13.78 4.37 0 11 -15 27.31 7.68 0 -11 15 26.21 5.79 0 11 -15 25.08 6.39 0 11 -14 16.07 5.65 0 -11 14 2.01 2.41 0 11 -14 14.92 4.63 0 -11 13 7.63 3.79 0 11 -13 4.46 2.02 0 11 -13 3.58 2.09 0 -11 12 12.37 4.73 0 11 -12 10.47 3.35 0 11 -12 7.08 2.74 0 -11 11 21.31 5.11 0 11 -11 21.42 4.54 0 11 -11 30.45 6.12 0 -11 10 37.31 6.48 0 11 -10 38.38 6.32 0 11 -10 44.14 6.95 0 -11 9 340.11 17.84 0 -11 9 288.30 9.90 0 11 -9 295.45 15.83 0 11 -9 367.08 19.83 0 -11 8 84.35 8.72 0 -11 8 72.29 5.11 0 11 -8 75.52 8.24 0 11 -8 84.61 9.43 0 -11 7 142.11 10.61 0 11 -7 107.57 9.90 0 11 -7 156.73 12.68 0 -11 6 47.87 5.88 0 11 -6 50.71 6.79 0 11 -6 55.04 7.44 0 -11 5 30.12 4.64 0 11 -5 29.11 5.58 0 11 -5 32.39 5.55 0 -11 4 112.90 8.64 0 11 -4 107.16 10.02 0 11 -4 116.62 10.84 0 -11 3 0.67 1.35 0 11 -3 4.27 2.25 0 11 -3 4.77 2.19 0 -11 2 112.67 8.28 0 11 -2 142.52 11.74 0 11 -2 128.52 11.19 0 11 -1 9.11 3.32 0 11 -1 13.22 3.59 0 11 0 -0.60 2.02 0 11 0 3.44 1.54 0 11 1 35.01 6.28 0 -11 -2 158.54 8.37 0 11 2 191.67 14.49 0 -11 -3 2.61 1.54 0 11 3 -9.07 4.47 0 -11 -4 27.48 3.09 0 11 4 24.55 5.94 0 -11 -5 5.06 1.29 0 11 5 5.40 2.53 0 11 6 9.91 4.85 0 11 7 9.26 4.18 0 11 8 -5.29 4.32 0 11 9 0.85 2.79 0 11 10 10.71 4.80 0 11 11 -6.58 4.80 0 11 12 -2.02 2.77 0 11 13 -0.24 3.68 0 11 14 9.30 5.04 0 11 15 9.44 4.14 0 11 16 2.28 2.64 0 11 17 12.19 6.19 0 12 -23 10.28 5.43 0 12 -22 0.22 2.56 0 12 -21 5.56 2.81 0 12 -20 3.91 4.93 0 12 -20 10.75 4.97 0 12 -19 107.36 16.00 0 12 -19 103.15 13.36 0 12 -18 2.00 2.23 0 12 -18 2.16 2.10 0 12 -17 61.92 11.74 0 12 -17 48.97 8.65 0 12 -16 46.35 9.82 0 12 -16 47.92 8.33 0 -12 15 -4.61 3.68 0 12 -15 3.74 3.80 0 12 -15 2.97 3.08 0 -12 14 12.61 4.45 0 12 -14 10.34 3.96 0 -12 13 2.75 3.66 0 12 -13 0.23 1.33 0 -12 12 17.85 4.86 0 12 -12 8.18 3.13 0 12 -12 10.35 3.76 0 12 -11 2.57 2.05 0 12 -11 0.34 1.54 0 -12 10 7.64 3.72 0 12 -10 3.70 2.35 0 12 -10 3.28 2.99 0 -12 9 82.11 9.41 0 12 -9 82.19 10.10 0 -12 8 312.15 17.67 0 12 -8 236.34 15.55 0 12 -8 310.38 19.05 0 -12 7 49.16 6.77 0 12 -7 42.16 6.66 0 12 -7 48.67 7.69 0 -12 6 48.81 6.74 0 12 -6 31.98 5.63 0 12 -6 53.65 7.95 0 -12 5 44.12 5.94 0 12 -5 61.91 8.11 0 12 -5 66.02 8.72 0 -12 4 0.36 1.41 0 12 -4 3.29 2.46 0 12 -4 0.37 1.90 0 -12 3 5.78 2.03 0 12 -3 4.06 3.13 0 12 -3 6.01 2.51 0 -12 2 1.73 0.88 0 12 -2 0.55 1.85 0 12 -2 1.14 2.35 0 -12 1 7.01 2.21 0 12 -1 8.61 3.78 0 12 -1 11.95 3.81 0 12 0 184.68 14.70 0 12 1 81.52 9.97 0 12 2 0.07 4.24 0 -12 -3 43.87 4.39 0 12 3 40.88 7.58 0 12 4 0.01 2.83 0 12 5 -2.72 2.52 0 12 6 -6.48 4.77 0 12 7 -0.86 2.82 0 12 8 11.32 5.00 0 12 9 4.12 4.54 0 12 10 14.90 5.63 0 12 11 -0.93 3.36 0 12 12 5.40 3.98 0 12 13 3.79 2.64 0 12 14 2.65 3.26 0 12 15 -0.12 4.69 0 13 -22 -0.09 1.76 0 13 -21 -2.51 2.29 0 13 -20 9.95 4.12 0 13 -19 4.74 3.54 0 13 -19 1.60 1.60 0 13 -18 30.31 8.45 0 13 -18 19.88 6.29 0 13 -17 114.33 16.30 0 13 -17 105.01 13.38 0 13 -16 0.74 2.65 0 13 -16 -0.28 1.68 0 -13 15 18.48 5.63 0 13 -15 24.52 7.54 0 13 -15 23.53 6.20 0 -13 14 67.42 10.12 0 13 -14 72.39 10.81 0 -13 13 3.91 3.96 0 13 -13 12.56 4.39 0 -13 12 17.81 5.52 0 13 -12 16.91 4.59 0 13 -12 13.67 4.12 0 -13 11 57.85 8.87 0 13 -11 62.86 8.82 0 13 -11 62.56 9.36 0 13 -10 14.85 4.43 0 -13 10 26.64 5.83 0 13 -10 24.19 5.70 0 -13 9 52.16 8.00 0 13 -9 54.69 7.65 0 13 -9 44.17 7.76 0 -13 8 19.40 4.89 0 13 -8 8.91 3.16 0 13 -8 11.73 4.17 0 -13 7 2.13 1.56 0 13 -7 3.94 2.98 0 13 -7 3.50 1.53 0 -13 6 32.00 5.47 0 13 -6 36.75 6.63 0 13 -6 31.10 6.84 0 -13 5 20.21 4.34 0 13 -5 24.65 5.20 0 13 -5 14.54 5.13 0 -13 4 6.29 2.59 0 13 -4 8.52 3.64 0 13 -4 7.27 3.18 0 -13 3 5.63 2.42 0 13 -3 5.19 2.66 0 13 -3 5.43 3.98 0 -13 2 11.67 3.26 0 13 -2 24.28 5.93 0 13 -2 15.05 4.12 0 -13 1 11.90 3.28 0 13 -1 11.75 4.06 0 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4 7.35 1.83 1 6 -4 7.27 2.22 1 6 -4 8.39 2.24 1 6 -3 371.78 15.29 -1 -6 3 369.63 13.93 1 6 -3 367.80 15.34 1 6 -2 512.26 18.20 -1 -6 2 496.17 16.40 1 6 -2 521.92 18.38 -1 -6 1 37.22 4.50 1 6 -1 32.55 4.57 -1 -6 1 35.24 4.44 1 6 0 39.44 5.11 -1 -6 0 41.81 5.05 -1 -6 0 40.30 4.90 1 6 1 73.98 7.03 -1 -6 -1 67.14 6.16 -1 -6 -1 72.80 6.51 1 6 2 439.23 17.67 -1 -6 -2 485.70 17.15 1 6 3 133.16 10.04 -1 -6 -3 142.10 9.44 1 6 4 71.95 7.48 -1 -6 -4 69.37 6.54 1 6 5 1.24 2.80 -1 -6 -5 1.43 1.23 1 6 6 13.26 3.66 -1 -6 -6 9.79 2.30 1 6 7 33.32 5.27 -1 -6 -7 31.06 4.42 1 6 8 15.56 4.28 -1 -6 -8 13.08 3.12 1 6 9 105.69 9.89 1 6 10 105.96 10.13 1 6 11 0.08 2.89 1 6 12 15.32 4.96 1 6 13 38.77 7.13 1 6 14 0.63 2.48 -1 -6 -14 3.17 2.16 1 6 15 0.01 2.93 -1 -6 -15 1.52 1.43 1 6 16 3.67 3.18 1 6 17 4.81 3.28 1 6 18 5.17 3.44 1 6 19 -0.32 1.97 1 6 20 -0.49 2.46 1 6 21 3.10 2.95 1 6 22 -3.28 3.94 1 6 23 2.28 2.60 1 7 -26 11.83 5.24 1 7 -25 8.29 4.56 1 7 -24 -0.45 2.30 1 7 -23 -4.38 2.87 1 7 -22 -0.19 2.45 1 7 -21 13.07 4.34 1 7 -20 24.39 5.90 -1 -7 19 43.05 8.01 1 7 -19 42.54 7.27 -1 -7 18 331.09 20.74 1 7 -18 320.55 19.87 1 7 -17 -0.93 2.48 -1 -7 17 -2.00 3.18 1 7 -17 0.29 1.06 1 7 -16 5.48 3.39 -1 -7 16 14.15 4.03 1 7 -16 10.21 3.37 -1 -7 15 7.75 2.82 1 7 -15 8.33 4.14 1 7 -15 6.13 1.60 1 7 -15 2.82 1.55 1 7 -14 309.99 12.97 1 7 -14 364.42 23.95 -1 -7 14 334.46 17.28 -1 -7 14 300.54 6.92 -1 -7 14 279.97 5.33 1 7 -14 331.44 17.99 1 7 -13 654.09 20.59 1 7 -13 829.44 35.71 -1 -7 13 766.21 24.98 -1 -7 13 740.04 13.42 1 7 -13 732.44 26.09 1 7 -12 5.83 2.21 -1 -7 12 6.69 2.13 1 7 -12 4.46 2.14 -1 -7 12 4.59 1.20 1 7 -12 6.57 2.71 1 7 -11 85.25 8.26 1 7 -11 92.11 11.38 -1 -7 11 88.38 8.27 -1 -7 11 98.40 5.99 1 7 -11 90.61 9.03 1 7 -10 62.07 7.16 -1 -7 10 63.59 6.67 -1 -7 10 63.29 5.07 1 7 -10 63.05 7.31 1 7 -9 306.41 15.96 -1 -7 9 276.36 10.97 1 7 -9 272.72 14.73 1 7 -8 5.42 2.73 -1 -7 8 1.52 1.39 1 7 -8 4.89 2.31 1 7 -7 45.03 6.06 -1 -7 7 47.42 5.02 1 7 -7 46.00 5.82 1 7 -6 37.12 5.57 -1 -7 6 36.42 4.47 1 7 -6 32.69 5.09 1 7 -5 250.77 14.00 -1 -7 5 235.40 11.47 1 7 -5 249.91 13.67 -1 -7 4 21.55 3.43 1 7 -4 19.59 4.00 1 7 -4 19.38 3.83 -1 -7 3 148.40 9.29 1 7 -3 131.28 9.83 1 7 -3 148.73 10.48 1 7 -2 1600.47 34.78 -1 -7 2 1721.53 30.95 1 7 -2 1687.73 35.42 1 7 -1 91.60 8.11 1 7 0 134.17 10.20 1 7 1 70.33 7.34 1 7 2 98.86 9.17 1 7 3 37.30 5.42 1 7 4 0.83 2.30 1 7 5 6.03 2.72 -1 -7 -5 4.44 1.71 1 7 6 24.22 4.27 -1 -7 -6 32.02 4.73 1 7 7 40.21 6.30 -1 -7 -7 45.71 5.64 1 7 8 110.53 10.86 -1 -7 -8 119.23 9.21 1 7 9 10.00 2.29 -1 -7 -9 12.71 3.11 1 7 10 175.50 13.85 -1 -7 -10 159.81 10.67 1 7 11 96.42 10.59 1 7 12 11.76 3.91 1 7 13 3.38 3.20 1 7 14 3.98 2.17 1 7 15 2.08 3.59 1 7 16 -0.72 2.73 1 7 17 3.01 3.05 1 7 18 1.36 2.22 1 7 19 68.33 10.95 1 7 20 0.67 2.46 1 7 21 3.11 3.53 1 7 22 14.94 5.89 1 7 23 0.02 2.31 1 8 -27 -0.79 2.08 1 8 -26 6.64 4.97 1 8 -25 126.57 18.50 1 8 -24 -0.40 2.12 1 8 -23 4.45 4.22 1 8 -22 34.47 7.47 1 8 -21 13.86 4.84 -1 -8 20 -1.64 2.89 1 8 -20 0.19 1.84 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4.16 1 12 -7 10.62 4.18 -1 -12 7 15.28 3.91 1 12 -7 12.04 4.04 -1 -12 6 82.58 8.77 1 12 -6 95.42 11.20 1 12 -6 87.48 10.63 1 12 -5 40.57 7.64 1 12 -5 41.56 7.68 1 12 -4 32.01 6.75 1 12 -4 21.47 5.04 1 12 -3 3.20 3.21 1 12 -2 5.65 2.19 1 12 -1 20.77 5.38 1 12 0 19.95 5.42 1 12 1 17.69 5.40 1 12 2 1.89 3.75 1 12 3 5.57 3.53 1 12 4 47.57 8.73 1 12 5 12.94 4.55 1 12 6 13.61 4.77 1 12 7 41.15 7.74 1 12 8 1.69 2.00 1 12 9 -5.56 3.22 1 12 10 4.05 3.89 1 12 11 0.71 2.33 1 12 12 10.05 5.72 1 12 13 3.21 2.48 1 12 14 12.52 4.60 1 13 -22 -1.97 2.78 1 13 -21 10.63 5.88 1 13 -21 1.75 3.12 -1 -13 20 10.90 6.59 1 13 -20 0.82 3.05 1 13 -20 13.15 5.68 -1 -13 19 6.20 4.38 1 13 -19 7.45 5.29 1 13 -19 -2.24 3.08 1 13 -18 14.27 6.89 -1 -13 18 9.60 5.52 1 13 -18 8.92 3.47 -1 -13 17 35.12 7.99 1 13 -17 48.48 11.34 1 13 -17 47.02 9.57 1 13 -16 5.00 4.02 -1 -13 16 2.24 3.48 1 13 -16 -4.49 3.67 -1 -13 15 1.66 3.09 1 13 -15 -0.94 3.47 1 13 -15 -0.77 2.22 -1 -13 14 31.28 6.88 1 13 -14 31.82 7.24 -1 -13 13 10.15 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7 102.83 14.19 1 14 8 9.43 4.72 1 14 9 -4.24 5.01 1 14 10 -0.77 3.13 1 15 -20 4.00 4.15 1 15 -19 0.03 2.57 1 15 -18 11.59 6.01 -1 -15 18 13.69 5.83 1 15 -18 9.28 4.70 -1 -15 17 7.14 4.42 1 15 -17 5.99 4.37 1 15 -17 1.41 2.79 1 15 -16 4.79 3.23 -1 -15 16 1.96 3.06 1 15 -16 2.71 2.60 -1 -15 15 17.96 6.22 1 15 -15 10.62 4.56 -1 -15 14 45.82 9.27 1 15 -14 32.88 7.96 -1 -15 13 -3.12 4.46 1 15 -13 -0.33 1.63 -1 -15 12 13.23 5.24 1 15 -12 15.65 5.75 -1 -15 11 -3.37 3.32 1 15 -11 2.18 2.25 -1 -15 10 8.02 4.74 1 15 -10 4.20 3.17 1 15 -10 2.19 1.84 1 15 -9 21.28 6.23 -1 -15 9 11.28 4.06 1 15 -9 19.26 6.28 -1 -15 8 2.38 2.27 1 15 -8 -0.85 2.36 -1 -15 7 0.32 1.48 1 15 -7 -6.74 4.31 -1 -15 6 12.43 4.15 1 15 -6 10.27 4.59 -1 -15 5 5.08 2.33 1 15 -5 6.57 1.78 -1 -15 4 -2.64 2.12 1 15 -4 0.47 2.44 -1 -15 3 4.27 2.40 1 15 -3 3.67 4.13 -1 -15 2 41.08 6.84 1 15 -2 32.68 8.23 1 15 -1 13.65 5.52 1 15 0 0.20 2.03 1 15 1 -1.80 3.87 1 15 2 2.88 2.84 1 15 3 0.41 3.14 1 15 4 -5.18 4.76 1 15 5 41.46 9.40 1 15 6 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2.04 -7 8 -2 3.10 4.48 -7 8 -3 2.19 3.19 -7 8 -3 -2.01 3.45 -7 8 -4 -0.12 2.81 -7 8 -5 0.00 3.33 -7 8 -6 10.18 5.99 -7 8 -7 16.03 6.79 -7 8 -8 0.65 3.36 -7 8 -9 6.84 3.37 -7 8 -10 3.34 3.49 -7 8 -11 9.19 4.26 -7 7 7 2.99 2.94 -7 7 6 6.45 3.79 -7 7 5 19.68 6.08 -7 7 4 11.51 4.95 -7 7 3 3.18 4.13 -7 7 2 16.45 5.75 -7 7 2 2.87 3.65 -7 7 1 1.35 2.29 7 -7 0 -0.19 4.49 -7 7 0 -2.46 3.71 7 -7 1 -0.48 2.88 -7 7 -1 -1.78 2.37 7 -7 2 -0.04 3.12 -7 7 -2 -0.25 2.72 7 -7 3 5.10 5.96 -7 7 -3 1.50 4.16 7 -7 4 -1.26 3.52 -7 7 -4 -2.91 3.14 7 -7 5 0.24 3.63 -7 7 -5 7.46 4.50 7 -7 6 0.28 4.08 -7 7 -6 4.85 3.91 7 -7 7 -4.77 3.70 -7 7 -7 2.82 3.09 7 -7 8 0.83 4.96 -7 7 -8 17.85 6.65 7 -7 9 1.60 3.43 -7 7 -9 5.60 4.42 -7 7 -10 -2.16 5.34 -7 7 -11 0.09 2.69 -7 6 9 -5.17 2.72 -7 6 8 -0.54 2.55 -7 6 7 9.05 4.31 -7 6 6 8.01 4.13 -7 6 5 -9.51 4.61 7 -6 -4 16.13 8.09 -7 6 4 10.83 4.70 7 -6 -3 -1.95 5.02 -7 6 3 1.22 3.41 7 -6 -2 0.66 3.38 -7 6 2 1.04 3.25 7 -6 -1 1.89 4.86 -7 6 1 4.92 5.21 7 -6 0 16.63 11.37 -7 6 0 67.22 11.42 7 -6 1 0.49 2.01 -7 6 -1 4.81 3.64 7 -6 2 16.24 9.41 -7 6 -2 17.40 8.15 7 -6 3 0.92 3.64 -7 6 -3 2.03 2.67 7 -6 4 0.80 3.35 -7 6 -4 -2.28 4.30 7 -6 5 0.07 2.95 -7 6 -5 3.84 2.57 7 -6 6 -1.06 4.31 -7 6 -6 1.53 2.84 7 -6 7 2.31 5.81 -7 6 -7 0.73 3.08 7 -6 8 0.01 2.92 -7 6 -8 -6.61 4.64 7 -6 9 3.53 4.81 -7 6 -9 -9.31 5.13 7 -6 10 4.39 4.96 -7 6 -10 11.47 5.29 -7 6 -11 0.43 3.89 -7 6 -12 20.60 7.11 -7 5 10 0.41 3.76 -7 5 9 68.48 11.22 -7 5 8 44.77 9.12 7 -5 -7 7.26 4.57 -7 5 7 9.01 5.30 7 -5 -6 -2.72 4.04 7 -5 -5 2.99 3.39 7 -5 -4 2.20 3.80 7 -5 -3 0.81 2.44 7 -5 -2 0.92 4.91 7 -5 -1 3.02 5.22 7 -5 0 1.47 3.61 7 -5 1 -0.16 2.34 7 -5 2 0.31 3.06 7 -5 3 11.30 9.40 -7 5 -4 3.47 2.78 7 -5 4 1.32 4.43 -7 5 -5 29.75 7.31 7 -5 5 15.39 9.18 7 -5 6 1.10 3.99 -7 5 -6 8.48 6.26 7 -5 7 7.60 7.15 -7 5 -7 22.05 7.12 7 -5 8 0.99 4.29 -7 5 -8 7.12 5.44 7 -5 9 1.68 4.91 -7 5 -9 8.75 6.08 7 -5 10 -0.27 2.15 -7 5 -10 -0.83 2.72 7 -5 11 2.45 3.84 -7 5 -11 2.97 3.24 -7 5 -12 18.29 7.20 -7 4 12 0.37 2.71 -7 4 11 -0.84 3.35 -7 4 10 17.03 5.55 7 -4 -9 49.49 11.61 -7 4 9 58.63 10.59 7 -4 -8 74.35 13.97 7 -4 -7 -1.42 2.89 7 -4 -6 64.77 12.93 7 -4 -5 2.85 2.21 7 -4 -4 48.91 10.87 7 -4 -3 3.10 3.50 7 -4 -2 15.76 8.51 7 -4 -1 9.11 8.11 7 -4 0 13.26 8.45 7 -4 1 1.61 4.70 7 -4 2 12.53 9.42 7 -4 3 8.93 7.04 7 -4 4 0.31 1.89 7 -4 5 3.15 4.79 7 -4 6 2.73 4.77 7 -4 7 5.81 7.44 -7 4 -8 -3.31 2.72 7 -4 8 1.37 4.22 7 -4 9 0.24 3.53 -7 4 -9 14.36 6.78 7 -4 10 -4.32 3.57 -7 4 -10 -0.67 3.44 7 -4 11 3.68 5.10 -7 4 -11 -4.30 2.80 -7 4 -12 4.45 4.85 -7 4 -13 6.84 3.82 -7 3 13 2.92 3.67 -7 3 12 14.62 6.18 7 -3 -11 3.29 4.05 -7 3 11 6.05 3.92 7 -3 -10 -0.06 2.34 7 -3 -9 40.16 10.36 7 -3 -8 55.66 12.12 7 -3 -7 1.84 3.39 7 -3 -6 42.05 10.48 7 -3 -5 17.00 7.25 7 -3 -4 6.52 5.10 7 -3 -3 20.50 7.44 7 -3 -2 13.65 5.33 7 -3 -1 -1.63 2.43 7 -3 0 0.93 5.32 7 -3 1 0.64 2.42 7 -3 2 12.21 9.04 7 -3 3 -8.11 4.74 7 -3 4 -0.10 3.28 7 -3 5 3.03 5.06 7 -3 6 0.49 3.05 7 -3 7 2.01 4.13 7 -3 8 4.62 5.92 7 -3 9 41.38 10.25 7 -3 10 2.12 4.62 -7 3 -10 14.48 7.32 7 -3 11 0.89 4.03 -7 3 -11 -2.71 3.86 7 -3 12 -9.02 4.98 -7 3 -12 -3.75 4.31 -7 3 -13 -6.01 5.32 -7 2 14 -5.30 5.48 7 -2 -13 12.51 7.03 -7 2 13 10.47 5.24 7 -2 -12 -0.10 2.89 7 -2 -11 3.02 4.15 7 -2 -10 3.06 3.26 7 -2 -9 2.06 2.84 7 -2 -8 3.08 3.12 7 -2 -7 6.79 4.95 7 -2 -6 29.90 8.73 7 -2 -5 7.27 4.32 7 -2 -4 2.97 3.33 7 -2 -3 0.92 2.84 7 -2 -2 -2.35 2.55 7 -2 -1 27.26 8.37 7 -2 0 91.06 18.48 7 -2 1 11.71 6.47 7 -2 2 2.83 4.95 7 -2 3 6.73 8.41 7 -2 4 0.67 4.10 7 -2 5 1.25 3.31 7 -2 6 1.79 5.52 7 -2 7 1.30 4.38 7 -2 8 10.81 9.42 7 -2 9 9.28 9.06 7 -2 10 0.84 3.11 7 -2 11 -0.58 2.84 -7 2 -12 9.89 5.95 7 -2 12 2.90 4.06 -7 2 -13 1.77 3.44 7 -1 -14 2.20 2.83 -7 1 14 -3.16 4.34 7 -1 -13 6.53 4.62 7 -1 -12 22.47 7.92 7 -1 -11 13.89 6.56 7 -1 -10 3.46 3.55 7 -1 -9 6.32 5.23 7 -1 -8 33.70 9.47 7 -1 -7 3.73 3.59 7 -1 -6 20.53 7.54 7 -1 -5 3.71 3.46 7 -1 -4 1.72 4.63 7 -1 -3 4.34 2.13 7 -1 -2 5.02 2.56 7 -1 -1 12.91 6.16 7 -1 0 -0.88 2.25 7 -1 1 4.86 6.52 7 -1 2 10.91 6.96 7 -1 3 3.14 5.64 7 -1 4 0.99 3.21 7 -1 5 14.38 11.40 7 -1 6 1.50 3.91 7 -1 7 1.70 3.74 7 -1 8 13.58 10.32 7 -1 9 0.63 3.86 7 -1 10 -0.19 3.36 7 -1 11 0.74 6.11 7 -1 12 6.47 6.96 7 -1 13 1.43 4.99 7 0 -15 5.38 4.26 -7 0 15 -1.42 2.49 7 0 -14 19.46 7.84 7 0 -13 0.72 1.96 7 0 -12 2.82 3.18 7 0 -11 16.55 7.60 7 0 -10 11.16 6.10 7 0 -9 16.59 7.43 7 0 -8 19.45 7.28 7 0 -7 -1.29 2.89 7 0 -6 3.43 3.74 7 0 -5 -1.24 2.51 7 0 -4 13.21 6.56 7 0 -3 3.05 3.03 7 0 -2 -0.86 2.50 7 0 -1 9.27 5.22 7 0 0 -3.09 3.07 7 0 1 -0.65 2.39 7 0 2 4.78 6.12 7 0 3 7.24 6.62 7 0 4 -0.05 4.35 7 0 5 12.48 8.97 7 0 6 -0.34 2.61 7 0 7 3.04 5.95 7 0 8 -0.47 4.08 7 0 9 26.56 12.60 7 0 10 -0.15 4.77 7 0 11 1.21 6.62 7 0 12 3.92 7.99 7 0 13 1.74 6.45 -7 -1 16 13.41 5.26 7 1 -15 -2.96 3.74 7 1 -14 11.46 6.55 7 1 -13 22.15 10.19 7 1 -12 3.71 4.75 7 1 -11 19.96 7.48 7 1 -10 17.36 6.58 7 1 -9 4.72 4.19 7 1 -8 9.59 5.88 7 1 -7 -1.46 2.16 7 1 -6 15.44 7.91 7 1 -5 8.26 5.03 7 1 -4 2.54 2.03 7 1 -3 30.26 9.49 7 1 -2 2.64 2.69 7 1 -1 12.94 5.98 7 1 0 7.34 3.92 7 1 0 12.46 7.24 7 1 1 -0.96 3.60 7 1 2 -0.57 1.89 7 1 3 2.83 3.98 7 1 4 0.28 2.18 7 1 5 1.38 3.64 7 1 6 1.57 4.30 7 1 7 1.96 6.54 7 1 8 -0.74 3.53 7 1 9 19.10 13.32 7 1 10 1.90 5.69 7 1 11 36.39 10.54 7 1 12 0.58 4.87 7 1 13 0.81 2.29 7 1 14 3.91 8.37 7 2 -16 6.67 5.44 7 2 -15 7.42 4.89 7 2 -14 14.64 7.04 7 2 -13 17.15 8.12 7 2 -12 5.11 2.42 7 2 -11 14.35 6.85 7 2 -10 3.35 2.96 7 2 -9 12.41 6.62 7 2 -8 -3.84 4.81 7 2 -7 2.41 2.54 7 2 -6 -4.13 4.48 7 2 -5 8.93 4.17 7 2 -4 2.60 3.02 7 2 -4 1.80 1.84 7 2 -3 5.44 3.73 7 2 -3 5.95 4.64 7 2 -2 3.99 3.07 7 2 -2 -1.15 3.48 7 2 -1 1.10 2.58 7 2 -1 -1.90 3.22 7 2 0 13.17 4.91 7 2 0 11.79 6.14 7 2 1 19.76 6.29 7 2 1 19.85 8.99 7 2 2 2.64 6.87 7 2 3 -11.11 5.89 7 2 4 -1.76 4.81 7 2 5 -1.83 3.17 7 2 6 -0.28 1.87 7 2 7 0.97 4.10 7 2 8 -0.67 4.52 7 2 9 2.99 6.75 7 2 10 0.29 2.91 7 2 11 5.96 9.62 7 2 12 91.82 20.73 7 2 13 1.41 3.43 7 2 14 5.82 10.38 7 3 -16 5.52 6.11 7 3 -15 7.41 5.70 7 3 -14 3.02 3.92 7 3 -13 10.46 6.68 7 3 -12 17.04 7.48 7 3 -11 42.28 10.84 7 3 -10 4.68 4.14 7 3 -9 9.19 4.89 7 3 -8 8.38 5.73 7 3 -7 2.66 2.99 7 3 -7 -2.03 3.17 7 3 -6 5.91 4.48 7 3 -6 2.95 3.09 7 3 -5 2.45 1.98 7 3 -5 1.82 4.42 7 3 -4 -0.89 1.68 7 3 -4 -0.14 2.14 7 3 -3 0.97 2.84 7 3 -3 3.17 3.90 7 3 -2 0.66 1.52 7 3 -2 67.99 13.32 7 3 -1 17.46 5.60 7 3 -1 17.52 8.11 7 3 0 2.71 1.97 7 3 0 5.21 4.47 7 3 1 14.59 5.65 7 3 1 15.03 7.32 7 3 2 1.48 1.53 7 3 2 2.88 4.16 7 3 3 8.44 7.30 7 3 4 1.16 4.48 7 3 5 0.60 2.75 7 3 6 1.50 4.12 7 3 7 0.52 5.59 7 3 8 2.00 6.52 7 3 9 0.98 9.08 7 3 10 0.21 5.26 7 3 11 87.09 16.79 7 3 12 8.95 9.80 7 3 13 -0.32 2.82 7 3 14 0.26 4.14 7 4 -16 2.33 4.25 7 4 -15 17.52 8.22 7 4 -14 9.39 5.83 7 4 -13 16.98 7.77 7 4 -12 3.36 2.97 7 4 -11 -6.93 5.71 7 4 -10 -1.07 3.82 7 4 -9 16.38 6.79 7 4 -9 15.14 7.28 7 4 -8 22.29 7.78 7 4 -8 9.25 5.04 7 4 -7 -3.50 3.03 7 4 -7 1.03 4.17 7 4 -6 -0.06 1.87 7 4 -6 0.81 1.99 7 4 -5 -4.70 3.75 7 4 -5 -1.39 2.53 7 4 -4 1.25 2.62 7 4 -4 -2.62 3.76 7 4 -3 9.13 5.15 7 4 -3 16.98 7.33 7 4 -2 2.94 3.07 7 4 -2 0.44 2.41 7 4 -1 -2.34 1.76 7 4 -1 -1.54 3.67 7 4 0 3.52 2.76 7 4 0 3.69 2.98 7 4 1 11.78 5.00 7 4 1 10.01 5.32 7 4 2 -2.11 2.19 7 4 2 -7.83 6.18 7 4 3 -4.52 5.00 7 4 4 3.13 6.05 7 4 5 -0.17 2.56 7 4 6 4.21 7.59 7 4 7 -0.60 2.90 7 4 8 2.91 6.01 7 4 9 50.76 13.12 7 4 10 0.56 6.80 7 4 11 0.27 3.01 7 4 12 0.26 6.91 7 5 -15 1.58 2.45 7 5 -14 10.24 7.78 7 5 -13 0.51 2.64 7 5 -12 5.19 4.83 7 5 -11 32.70 9.77 7 5 -11 42.74 12.26 7 5 -10 3.99 4.01 7 5 -10 3.25 2.39 7 5 -9 42.06 10.61 7 5 -9 39.37 12.10 7 5 -8 9.36 5.81 7 5 -8 10.24 5.07 7 5 -7 11.25 6.06 7 5 -7 15.71 7.90 7 5 -6 8.01 5.22 7 5 -6 7.15 4.39 7 5 -5 8.40 5.54 7 5 -5 8.54 4.99 7 5 -4 -0.62 2.37 7 5 -4 -0.49 2.42 7 5 -3 3.71 2.97 7 5 -3 10.58 6.64 7 5 -2 7.21 4.99 7 5 -2 -1.14 3.46 7 5 -1 10.34 5.52 7 5 -1 -0.14 2.58 7 5 0 -1.86 2.60 7 5 0 8.54 6.46 7 5 1 2.34 2.89 7 5 1 2.92 4.21 7 5 2 -0.53 2.30 7 5 2 0.15 4.46 7 5 3 31.01 7.85 7 5 3 40.18 11.69 7 5 4 -1.79 3.66 7 5 5 10.25 9.31 7 5 6 -0.87 2.34 7 5 7 0.63 3.20 7 5 8 0.87 2.80 7 5 9 1.74 7.22 7 5 10 0.36 4.43 7 6 -14 22.01 9.31 7 6 -13 11.88 7.40 7 6 -12 -4.86 4.95 7 6 -12 -0.65 4.57 7 6 -11 9.71 5.81 7 6 -11 2.30 3.39 7 6 -10 6.93 5.98 7 6 -10 9.30 6.39 7 6 -9 1.44 3.10 7 6 -9 6.35 4.96 7 6 -8 51.09 11.86 7 6 -8 61.59 14.06 7 6 -7 15.60 6.98 7 6 -7 9.24 6.62 7 6 -6 80.71 13.97 7 6 -6 78.78 15.78 7 6 -5 12.01 5.76 7 6 -5 11.55 7.21 7 6 -4 2.05 1.87 7 6 -4 4.50 2.55 7 6 -3 13.98 5.81 7 6 -3 9.03 6.52 7 6 -2 -0.83 3.46 7 6 -2 0.54 2.38 7 6 -1 1.92 2.05 7 6 -1 16.47 7.99 7 6 0 2.52 2.26 7 6 0 -1.69 1.99 7 6 1 3.69 3.82 7 6 1 -5.51 5.06 7 6 2 -0.90 2.43 7 6 2 -6.62 4.90 7 6 3 8.60 5.92 7 6 4 3.57 6.20 7 6 5 1.75 3.91 7 6 6 10.78 6.49 7 6 7 0.06 5.50 7 7 -13 7.43 6.33 7 7 -12 11.15 6.57 7 7 -11 -1.15 2.66 7 7 -11 8.20 7.71 7 7 -10 1.13 3.56 7 7 -10 8.84 6.04 7 7 -9 -0.74 2.74 7 7 -9 18.41 10.96 7 7 -8 20.81 8.05 7 7 -8 20.91 8.74 7 7 -7 -0.56 2.22 7 7 -7 3.71 4.25 7 7 -6 20.98 7.88 7 7 -6 33.85 9.70 7 7 -5 12.45 6.58 7 7 -5 10.23 6.76 7 7 -4 3.59 5.17 7 7 -4 3.17 4.44 7 7 -3 8.92 4.47 7 7 -3 19.34 8.09 7 7 -2 3.43 4.50 7 7 -2 8.47 6.91 7 7 -1 0.78 2.56 7 7 -1 0.10 3.28 7 7 0 7.41 5.31 7 7 0 -6.24 6.27 7 7 1 -0.19 2.69 7 7 2 7.02 5.78 7 7 3 3.93 6.18 7 7 4 -4.97 5.15 7 8 -11 12.36 7.59 7 8 -10 7.62 6.28 7 8 -10 12.24 8.05 7 8 -9 3.09 2.34 7 8 -9 2.00 2.50 7 8 -8 6.09 4.22 7 8 -8 1.56 4.40 7 8 -7 -0.04 3.26 7 8 -7 -7.84 5.51 7 8 -6 -0.63 2.70 7 8 -6 4.80 3.66 7 8 -5 2.18 2.87 7 8 -5 5.91 5.05 7 8 -4 2.58 2.73 7 8 -4 4.68 3.91 7 8 -3 11.25 6.48 7 8 -3 2.65 3.56 7 8 -2 2.47 2.90 7 8 -2 3.33 4.62 7 8 -1 -1.80 3.00 7 8 -1 9.54 6.74 7 8 0 23.30 8.84 7 9 -7 3.53 4.93 7 9 -6 0.24 2.29 7 9 -5 -0.07 2.97 7 9 -4 6.02 4.86 7 9 -3 -0.72 4.44 7 9 -2 17.44 7.21 -8 8 -2 0.01 2.17 -8 8 -3 1.17 3.70 -8 8 -4 0.09 3.11 -8 7 0 12.56 6.27 -8 7 -1 0.05 2.95 -8 7 -2 -0.05 3.20 8 -7 3 0.78 6.49 -8 7 -3 2.24 2.05 8 -7 4 0.65 5.77 -8 7 -4 1.12 2.74 8 -7 5 -0.12 1.90 8 -7 6 -0.58 2.63 8 -7 7 3.17 6.36 -8 6 1 3.16 2.77 -8 6 0 5.45 4.47 8 -6 1 20.49 9.94 -8 6 -1 20.62 6.82 8 -6 2 5.21 8.09 -8 6 -2 15.95 5.91 8 -6 3 -0.50 3.97 -8 6 -3 7.47 5.01 8 -6 4 0.06 3.46 -8 6 -4 3.06 5.86 8 -6 5 -0.06 2.27 -8 6 -5 13.93 6.64 8 -6 6 -0.36 2.48 8 -6 7 2.24 4.79 8 -6 8 3.43 5.63 8 -5 -1 6.95 5.15 8 -5 0 -6.90 4.67 -8 5 -1 -7.97 4.53 8 -5 1 0.98 4.85 -8 5 -2 15.30 6.35 8 -5 2 4.92 7.72 -8 5 -3 34.26 8.09 8 -5 3 5.32 8.74 8 -5 4 1.74 5.95 -8 5 -4 19.98 7.03 8 -5 5 -0.24 4.74 -8 5 -5 -6.43 5.31 8 -5 6 4.57 5.93 -8 5 -6 20.67 6.97 8 -5 7 0.77 4.34 8 -5 8 -0.17 3.72 8 -5 9 -0.01 4.36 8 -4 -3 2.89 3.31 8 -4 -2 2.97 3.92 8 -4 -1 5.94 5.43 8 -4 0 6.80 5.80 8 -4 1 2.19 5.57 8 -4 2 0.70 2.92 8 -4 3 -1.09 4.56 8 -4 4 1.40 7.39 8 -4 5 0.72 3.16 -8 4 -6 4.28 4.32 8 -4 6 -0.31 4.20 8 -4 7 0.43 3.61 8 -4 8 -0.69 2.93 8 -4 9 0.80 1.88 8 -3 -4 -0.40 2.90 8 -3 -3 2.00 5.47 8 -3 -2 1.07 4.76 8 -3 -1 6.92 5.77 8 -3 0 0.10 3.82 8 -3 1 -0.04 4.25 8 -3 2 0.46 5.19 8 -3 3 2.68 7.22 8 -3 4 0.20 2.83 8 -3 5 0.03 5.85 8 -3 6 3.70 8.02 8 -3 7 1.16 6.50 8 -3 8 1.31 4.66 8 -3 9 0.22 4.78 8 -3 10 -6.08 4.59 8 -2 -5 -4.02 4.29 8 -2 -4 0.85 2.48 8 -2 -3 -3.03 2.13 8 -2 -2 4.20 2.81 8 -2 -1 4.83 3.51 8 -2 0 4.39 7.34 8 -2 1 3.81 6.05 8 -2 2 -0.27 3.00 8 -2 3 1.39 6.80 8 -2 4 2.41 5.84 8 -2 5 0.87 5.34 8 -2 6 2.69 7.80 8 -2 7 69.83 14.61 8 -2 8 0.03 3.17 8 -2 9 -2.83 3.47 8 -2 10 2.86 8.22 8 -1 -5 0.42 3.83 8 -1 -4 0.92 2.09 8 -1 -3 11.24 6.67 8 -1 -2 26.18 9.15 8 -1 -1 -1.39 2.82 8 -1 0 -0.19 2.52 8 -1 1 0.66 4.67 8 -1 2 -0.36 3.37 8 -1 3 3.37 4.22 8 -1 4 1.08 3.14 8 -1 5 1.24 3.11 8 -1 6 2.03 6.03 8 -1 7 0.75 5.71 8 -1 8 0.43 2.65 8 -1 9 1.82 6.93 8 -1 10 1.49 5.30 8 0 -5 -0.13 2.77 8 0 -4 6.91 4.55 8 0 -3 -2.94 3.51 8 0 -2 5.22 4.93 8 0 -1 25.96 9.71 8 0 0 4.75 4.83 8 0 1 4.10 6.22 8 0 2 -10.73 5.99 8 0 3 9.16 5.67 8 0 4 6.25 7.44 8 0 5 -0.60 3.29 8 0 6 0.01 3.80 8 0 7 0.08 4.99 8 0 8 3.67 8.07 8 0 9 1.53 7.13 8 0 10 1.10 5.50 8 1 -5 9.10 5.43 8 1 -4 0.64 3.26 8 1 -3 1.15 3.13 8 1 -2 16.49 4.97 8 1 -1 -0.06 3.48 8 1 0 13.98 7.11 8 1 1 0.16 2.79 8 1 2 3.90 4.29 8 1 3 15.62 8.42 8 1 4 5.96 6.07 8 1 5 5.01 6.62 8 1 6 1.42 6.77 8 1 7 2.91 8.00 8 1 8 0.49 3.12 8 2 -4 8.49 5.32 8 2 -3 -3.13 4.99 8 2 -2 0.81 3.58 8 2 -1 3.77 4.79 8 2 0 2.02 5.56 8 2 1 4.94 7.05 8 2 2 1.07 2.80 8 2 3 -5.87 4.80 8 2 4 2.23 3.22 8 2 5 10.37 7.84 8 4 -5 2.10 3.07 8 5 -8 3.14 4.51 8 5 -7 1.77 3.33 8 5 -6 8.04 5.25 8 5 -5 3.66 4.20 8 5 -4 -1.08 2.52 8 6 -6 -5.92 4.41 8 6 -5 1.40 2.78 8 6 -4 9.93 5.00 0 0 0 0.00 0.00 TITL A24032102A0843 in P-1 REM P-1 (#2 in standard setting) CELL 0.71073 5.711606 12.366904 18.666953 102.6329 91.0401 92.5032 ZERR 2.00 0.000451 0.000941 0.001361 0.0063 0.0062 0.0063 LATT 1 SFAC C H N O UNIT 74.00 44.00 4.00 4.00 REM CrysAlisPro recorded range (K): Min=149.9; max=150.0; aver:150.0 TEMP -123 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 63696 _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling - Detector area scaling ; _oxdiff_exptl_absorpt_empirical_full_max 2.320 _oxdiff_exptl_absorpt_empirical_full_min 0.366 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 0.7072(3) 0.51955(12) 0.09334(7) 0.0312(4) Uani 1 1 d . . . . . O2 O 1.3190(3) 0.62902(13) 0.21116(8) 0.0384(4) Uani 1 1 d . . . . . N1 N 0.4816(3) 0.28512(14) 0.25373(9) 0.0295(4) Uani 1 1 d . . . . . N2 N -0.1347(3) 0.13708(14) 0.38389(9) 0.0285(4) Uani 1 1 d . . . . . C1 C -0.0508(4) -0.16010(18) 0.30601(12) 0.0342(5) Uani 1 1 d . . . . . H1 H 0.0649 -0.2131 0.3057 0.041 Uiso 1 1 calc R U . . . C2 C -0.2597(4) -0.19123(19) 0.26703(12) 0.0354(5) Uani 1 1 d . . . . . H2 H -0.2866 -0.2653 0.2397 0.042 Uiso 1 1 calc R U . . . C3 C -0.4295(4) -0.1149(2) 0.26770(12) 0.0360(5) Uani 1 1 d . . . . . H3 H -0.5739 -0.1366 0.2414 0.043 Uiso 1 1 calc R U . . . C4 C -0.3889(4) -0.00615(19) 0.30691(11) 0.0315(5) Uani 1 1 d . . . . . H4 H -0.5057 0.0464 0.3078 0.038 Uiso 1 1 calc R U . . . C5 C -0.1781(4) 0.02488(16) 0.34457(10) 0.0254(4) Uani 1 1 d . . . . . C6 C -0.0088(4) -0.05196(17) 0.34568(11) 0.0294(5) Uani 1 1 d . . . . . H6 H 0.1338 -0.0308 0.3732 0.035 Uiso 1 1 calc R U . . . C7 C -0.2296(4) 0.17863(17) 0.45271(10) 0.0287(5) Uani 1 1 d . . . . . C8 C -0.4193(4) 0.13647(19) 0.48479(11) 0.0334(5) Uani 1 1 d . . . . . H8 H -0.5034 0.0700 0.4609 0.040 Uiso 1 1 calc R U . . . C9 C -0.4819(4) 0.1955(2) 0.55359(11) 0.0365(5) Uani 1 1 d . . . . . H9 H -0.6128 0.1694 0.5768 0.044 Uiso 1 1 calc R U . . . C10 C -0.3560(5) 0.2921(2) 0.58906(12) 0.0384(6) Uani 1 1 d . . . . . H10 H -0.4018 0.3306 0.6361 0.046 Uiso 1 1 calc R U . . . C11 C -0.1658(5) 0.33260(19) 0.55672(11) 0.0353(5) Uani 1 1 d . . . . . H11 H -0.0809 0.3985 0.5812 0.042 Uiso 1 1 calc R U . . . C12 C -0.0994(4) 0.27549(17) 0.48738(10) 0.0280(5) Uani 1 1 d . . . . . C13 C 0.0537(4) 0.20795(16) 0.37480(10) 0.0260(4) Uani 1 1 d . . . . . C14 C 0.0837(4) 0.29426(16) 0.43763(10) 0.0273(5) Uani 1 1 d . . . . . C15 C 0.2564(4) 0.37851(18) 0.44181(11) 0.0317(5) Uani 1 1 d . . . . . H15 H 0.2730 0.4362 0.4848 0.038 Uiso 1 1 calc R U . . . C16 C 0.4041(4) 0.37899(17) 0.38395(11) 0.0307(5) Uani 1 1 d . . . . . H16 H 0.5255 0.4349 0.3868 0.037 Uiso 1 1 calc R U . . . C17 C 0.3682(4) 0.29414(17) 0.32115(10) 0.0274(5) Uani 1 1 d . . . . . C18 C 0.1922(4) 0.20834(16) 0.31284(11) 0.0267(4) Uani 1 1 d . . . . . C19 C 0.1918(4) 0.14730(17) 0.23674(10) 0.0280(5) Uani 1 1 d . . . . . C20 C 0.0546(4) 0.05908(18) 0.19385(11) 0.0348(5) Uani 1 1 d . . . . . H20 H -0.0731 0.0260 0.2146 0.042 Uiso 1 1 calc R U . . . C21 C 0.1074(5) 0.0209(2) 0.12121(12) 0.0415(6) Uani 1 1 d . . . . . H21 H 0.0126 -0.0378 0.0918 0.050 Uiso 1 1 calc R U . . . C22 C 0.2965(5) 0.06644(19) 0.09013(12) 0.0421(6) Uani 1 1 d . . . . . H22 H 0.3321 0.0367 0.0404 0.051 Uiso 1 1 calc R U . . . C23 C 0.4335(5) 0.15458(19) 0.13070(12) 0.0373(6) Uani 1 1 d . . . . . H23 H 0.5639 0.1854 0.1099 0.045 Uiso 1 1 calc R U . . . C24 C 0.3736(4) 0.19635(17) 0.20295(11) 0.0293(5) Uani 1 1 d . . . . . C25 C 0.6435(4) 0.36513(17) 0.23608(11) 0.0284(5) Uani 1 1 d . . . . . C26 C 0.8458(4) 0.40109(18) 0.28003(11) 0.0308(5) Uani 1 1 d . . . . . H26 H 0.8737 0.3738 0.3231 0.037 Uiso 1 1 calc R U . . . C27 C 1.0030(4) 0.47582(17) 0.26050(10) 0.0304(5) Uani 1 1 d . . . . . H27 H 1.1401 0.4998 0.2904 0.037 Uiso 1 1 calc R U . . . C28 C 0.9659(4) 0.51767(17) 0.19741(10) 0.0269(4) Uani 1 1 d . . . . . C29 C 0.7626(4) 0.48219(17) 0.15552(10) 0.0268(4) Uani 1 1 d . . . . . C30 C 0.6010(4) 0.40644(17) 0.17423(11) 0.0290(5) Uani 1 1 d . . . . . H30 H 0.4628 0.3833 0.1448 0.035 Uiso 1 1 calc R U . . . C31 C 0.8624(4) 0.59306(17) 0.07080(11) 0.0284(5) Uani 1 1 d . . . . . C32 C 1.0720(4) 0.63205(17) 0.10855(10) 0.0283(5) Uani 1 1 d . . . . . C33 C 1.2192(5) 0.70590(18) 0.08075(12) 0.0354(5) Uani 1 1 d . . . . . H33 H 1.3633 0.7335 0.1057 0.042 Uiso 1 1 calc R U . . . C34 C 1.1555(5) 0.7385(2) 0.01750(12) 0.0413(6) Uani 1 1 d . . . . . H34 H 1.2562 0.7882 -0.0012 0.050 Uiso 1 1 calc R U . . . C35 C 0.9443(5) 0.69869(19) -0.01912(12) 0.0382(6) Uani 1 1 d . . . . . H35 H 0.9015 0.7219 -0.0626 0.046 Uiso 1 1 calc R U . . . C36 C 0.7958(4) 0.62574(18) 0.00706(11) 0.0342(5) Uani 1 1 d . . . . . H36 H 0.6516 0.5986 -0.0180 0.041 Uiso 1 1 calc R U . . . C37 C 1.1364(4) 0.59595(17) 0.17588(11) 0.0284(5) 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 0.0329(9) 0.0363(8) 0.0276(7) 0.0150(6) -0.0009(6) -0.0033(7) O2 0.0356(10) 0.0425(10) 0.0346(8) 0.0056(7) -0.0017(7) -0.0086(8) N1 0.0354(11) 0.0292(9) 0.0256(8) 0.0098(7) 0.0048(7) -0.0014(8) N2 0.0316(11) 0.0264(9) 0.0275(8) 0.0055(7) 0.0065(7) 0.0001(8) C1 0.0320(13) 0.0287(11) 0.0414(12) 0.0055(10) 0.0069(10) 0.0057(10) C2 0.0338(14) 0.0301(11) 0.0373(11) -0.0030(9) 0.0088(10) -0.0026(10) C3 0.0266(13) 0.0436(13) 0.0336(11) -0.0003(10) 0.0012(9) -0.0024(10) C4 0.0269(12) 0.0366(12) 0.0317(10) 0.0080(9) 0.0018(9) 0.0065(10) C5 0.0254(11) 0.0250(10) 0.0258(9) 0.0059(8) 0.0038(8) -0.0008(8) C6 0.0231(11) 0.0303(11) 0.0343(10) 0.0059(9) 0.0028(8) 0.0004(9) C7 0.0333(13) 0.0303(11) 0.0236(9) 0.0071(8) 0.0039(8) 0.0063(9) C8 0.0341(13) 0.0338(12) 0.0336(11) 0.0099(10) 0.0049(9) 0.0020(10) C9 0.0370(14) 0.0430(13) 0.0317(11) 0.0116(10) 0.0111(10) 0.0055(11) C10 0.0503(17) 0.0385(13) 0.0269(10) 0.0064(10) 0.0081(10) 0.0073(12) C11 0.0472(16) 0.0341(12) 0.0248(10) 0.0064(9) 0.0039(9) 0.0035(11) C12 0.0359(13) 0.0250(10) 0.0243(9) 0.0068(8) 0.0033(8) 0.0058(9) C13 0.0304(12) 0.0229(10) 0.0263(9) 0.0087(8) 0.0015(8) 0.0017(9) C14 0.0352(13) 0.0245(10) 0.0231(9) 0.0074(8) -0.0003(8) 0.0023(9) C15 0.0424(14) 0.0275(11) 0.0248(9) 0.0058(8) -0.0016(9) -0.0003(10) C16 0.0366(13) 0.0284(11) 0.0279(10) 0.0088(9) 0.0001(9) -0.0028(9) C17 0.0348(13) 0.0255(10) 0.0237(9) 0.0087(8) 0.0009(8) 0.0029(9) C18 0.0314(12) 0.0235(10) 0.0275(9) 0.0100(8) 0.0021(8) 0.0036(9) C19 0.0347(13) 0.0245(10) 0.0256(9) 0.0068(8) 0.0031(8) 0.0033(9) C20 0.0412(15) 0.0313(12) 0.0307(10) 0.0042(9) 0.0060(10) 0.0009(10) C21 0.0543(18) 0.0343(13) 0.0320(11) 0.0000(10) 0.0055(11) -0.0060(12) C22 0.0602(19) 0.0345(13) 0.0287(11) 0.0006(10) 0.0111(11) -0.0005(12) C23 0.0456(16) 0.0332(12) 0.0336(11) 0.0077(10) 0.0124(10) -0.0004(11) C24 0.0370(13) 0.0245(10) 0.0270(9) 0.0067(8) 0.0027(9) 0.0021(9) C25 0.0319(13) 0.0269(10) 0.0282(10) 0.0089(8) 0.0056(9) 0.0038(9) C26 0.0322(13) 0.0353(12) 0.0279(10) 0.0128(9) 0.0020(9) 0.0054(10) C27 0.0318(13) 0.0342(11) 0.0251(9) 0.0058(9) -0.0016(8) 0.0040(10) C28 0.0287(12) 0.0269(10) 0.0253(9) 0.0059(8) 0.0029(8) 0.0017(9) C29 0.0314(12) 0.0258(10) 0.0241(9) 0.0071(8) 0.0019(8) 0.0035(9) C30 0.0309(12) 0.0301(11) 0.0268(9) 0.0087(9) 0.0001(8) -0.0012(9) C31 0.0336(13) 0.0258(10) 0.0267(9) 0.0072(8) 0.0056(9) 0.0022(9) C32 0.0326(13) 0.0256(10) 0.0254(9) 0.0023(8) 0.0056(8) 0.0008(9) C33 0.0399(14) 0.0312(12) 0.0330(11) 0.0036(9) 0.0091(10) -0.0050(10) C34 0.0522(17) 0.0371(13) 0.0365(12) 0.0122(10) 0.0146(11) -0.0031(12) C35 0.0497(17) 0.0378(13) 0.0295(11) 0.0117(10) 0.0063(10) 0.0046(12) C36 0.0390(14) 0.0367(12) 0.0291(10) 0.0116(9) 0.0026(9) 0.0042(10) C37 0.0304(12) 0.0264(10) 0.0263(9) 0.0012(8) 0.0033(8) 0.0015(9) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C29 O1 C31 118.73(18) . . ? C17 N1 C25 125.70(18) . . ? C24 N1 C17 108.22(18) . . ? C24 N1 C25 124.94(16) . . ? C7 N2 C5 122.52(17) . . ? C13 N2 C5 126.32(16) . . ? C13 N2 C7 108.10(18) . . ? C2 C1 H1 119.8 . . ? C2 C1 C6 120.5(2) . . ? C6 C1 H1 119.8 . . ? C1 C2 H2 120.0 . . ? C3 C2 C1 120.1(2) . . ? C3 C2 H2 120.0 . . ? C2 C3 H3 120.0 . . ? C2 C3 C4 120.0(2) . . ? C4 C3 H3 120.0 . . ? C3 C4 H4 120.2 . . ? C5 C4 C3 119.6(2) . . ? C5 C4 H4 120.2 . . ? C4 C5 N2 119.65(18) . . ? C4 C5 C6 120.8(2) . . ? C6 C5 N2 119.6(2) . . ? C1 C6 H6 120.5 . . ? C5 C6 C1 119.0(2) . . ? C5 C6 H6 120.5 . . ? N2 C7 C12 108.81(19) . . ? C8 C7 N2 128.6(2) . . ? C8 C7 C12 122.62(19) . . ? C7 C8 H8 121.4 . . ? C7 C8 C9 117.2(2) . . ? C9 C8 H8 121.4 . . ? C8 C9 H9 119.4 . . ? C8 C9 C10 121.2(2) . . ? C10 C9 H9 119.4 . . ? C9 C10 H10 119.6 . . ? C11 C10 C9 120.9(2) . . ? C11 C10 H10 119.6 . . ? C10 C11 H11 120.4 . . ? C10 C11 C12 119.2(2) . . ? C12 C11 H11 120.4 . . ? C7 C12 C14 107.16(17) . . ? C11 C12 C7 118.8(2) . . ? C11 C12 C14 134.1(2) . . ? N2 C13 C14 109.59(17) . . ? N2 C13 C18 130.03(19) . . ? C14 C13 C18 120.1(2) . . ? C13 C14 C12 106.33(19) . . ? C15 C14 C12 132.41(19) . . ? C15 C14 C13 121.18(19) . . ? C14 C15 H15 119.7 . . ? C16 C15 C14 120.6(2) . . ? C16 C15 H15 119.7 . . ? C15 C16 H16 121.2 . . ? C15 C16 C17 117.5(2) . . ? C17 C16 H16 121.2 . . ? C16 C17 N1 126.8(2) . . ? C16 C17 C18 124.50(19) . . ? C18 C17 N1 108.43(18) . . ? C13 C18 C19 136.6(2) . . ? C17 C18 C13 115.90(19) . . ? C17 C18 C19 107.27(18) . . ? C20 C19 C18 135.1(2) . . ? C20 C19 C24 118.40(18) . . ? C24 C19 C18 106.48(19) . . ? C19 C20 H20 120.4 . . ? C21 C20 C19 119.2(2) . . ? C21 C20 H20 120.4 . . ? C20 C21 H21 119.3 . . ? C20 C21 C22 121.4(2) . . ? C22 C21 H21 119.3 . . ? C21 C22 H22 119.6 . . ? C23 C22 C21 120.9(2) . . ? C23 C22 H22 119.6 . . ? C22 C23 H23 121.2 . . ? C22 C23 C24 117.7(2) . . ? C24 C23 H23 121.2 . . ? N1 C24 C19 109.55(17) . . ? C23 C24 N1 128.1(2) . . ? C23 C24 C19 122.3(2) . . ? C26 C25 N1 120.73(18) . . ? C30 C25 N1 119.1(2) . . ? C30 C25 C26 120.1(2) . . ? C25 C26 H26 120.2 . . ? C27 C26 C25 119.58(19) . . ? C27 C26 H26 120.2 . . ? C26 C27 H27 119.3 . . ? C26 C27 C28 121.4(2) . . ? C28 C27 H27 119.3 . . ? C27 C28 C37 121.3(2) . . ? C29 C28 C27 117.9(2) . . ? C29 C28 C37 120.79(18) . . ? O1 C29 C28 122.58(19) . . ? O1 C29 C30 115.8(2) . . ? C28 C29 C30 121.67(18) . . ? C25 C30 C29 119.3(2) . . ? C25 C30 H30 120.3 . . ? C29 C30 H30 120.3 . . ? O1 C31 C32 122.83(18) . . ? O1 C31 C36 115.4(2) . . ? C32 C31 C36 121.8(2) . . ? C31 C32 C33 118.50(19) . . ? C31 C32 C37 120.3(2) . . ? C33 C32 C37 121.2(2) . . ? C32 C33 H33 119.9 . . ? C34 C33 C32 120.2(2) . . ? C34 C33 H33 119.9 . . ? C33 C34 H34 119.9 . . ? C33 C34 C35 120.2(2) . . ? C35 C34 H34 119.9 . . ? C34 C35 H35 119.6 . . ? C36 C35 C34 120.8(2) . . ? C36 C35 H35 119.6 . . ? C31 C36 H36 120.8 . . ? C35 C36 C31 118.5(2) . . ? C35 C36 H36 120.8 . . ? O2 C37 C28 122.88(19) . . ? O2 C37 C32 122.4(2) . . ? C28 C37 C32 114.7(2) . . ? 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 C29 1.377(2) . ? O1 C31 1.378(3) . ? O2 C37 1.228(3) . ? N1 C17 1.411(2) . ? N1 C24 1.396(3) . ? N1 C25 1.420(3) . ? N2 C5 1.429(3) . ? N2 C7 1.403(2) . ? N2 C13 1.395(3) . ? C1 H1 0.9500 . ? C1 C2 1.381(3) . ? C1 C6 1.388(3) . ? C2 H2 0.9500 . ? C2 C3 1.381(3) . ? C3 H3 0.9500 . ? C3 C4 1.391(3) . ? C4 H4 0.9500 . ? C4 C5 1.379(3) . ? C5 C6 1.388(3) . ? C6 H6 0.9500 . ? C7 C8 1.384(3) . ? C7 C12 1.404(3) . ? C8 H8 0.9500 . ? C8 C9 1.393(3) . ? C9 H9 0.9500 . ? C9 C10 1.395(3) . ? C10 H10 0.9500 . ? C10 C11 1.380(3) . ? C11 H11 0.9500 . ? C11 C12 1.400(3) . ? C12 C14 1.455(3) . ? C13 C14 1.405(3) . ? C13 C18 1.414(3) . ? C14 C15 1.392(3) . ? C15 H15 0.9500 . ? C15 C16 1.383(3) . ? C16 H16 0.9500 . ? C16 C17 1.397(3) . ? C17 C18 1.411(3) . ? C18 C19 1.456(3) . ? C19 C20 1.402(3) . ? C19 C24 1.407(3) . ? C20 H20 0.9500 . ? C20 C21 1.378(3) . ? C21 H21 0.9500 . ? C21 C22 1.390(3) . ? C22 H22 0.9500 . ? C22 C23 1.385(3) . ? C23 H23 0.9500 . ? C23 C24 1.389(3) . ? C25 C26 1.403(3) . ? C25 C30 1.382(3) . ? C26 H26 0.9500 . ? C26 C27 1.371(3) . ? C27 H27 0.9500 . ? C27 C28 1.402(3) . ? C28 C29 1.388(3) . ? C28 C37 1.466(3) . ? C29 C30 1.389(3) . ? C30 H30 0.9500 . ? C31 C32 1.390(3) . ? C31 C36 1.390(3) . ? C32 C33 1.402(3) . ? C32 C37 1.469(3) . ? C33 H33 0.9500 . ? C33 C34 1.376(3) . ? C34 H34 0.9500 . ? C34 C35 1.391(4) . ? C35 H35 0.9500 . ? C35 C36 1.383(3) . ? C36 H36 0.9500 . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag O1 C29 C30 C25 -179.83(17) . . . . ? O1 C31 C32 C33 179.40(17) . . . . ? O1 C31 C32 C37 -0.4(3) . . . . ? O1 C31 C36 C35 -179.44(18) . . . . ? N1 C17 C18 C13 -177.41(16) . . . . ? N1 C17 C18 C19 -2.3(2) . . . . ? N1 C25 C26 C27 177.95(18) . . . . ? N1 C25 C30 C29 -178.03(17) . . . . ? N2 C5 C6 C1 -178.63(17) . . . . ? N2 C7 C8 C9 -178.49(19) . . . . ? N2 C7 C12 C11 178.89(17) . . . . ? N2 C7 C12 C14 0.0(2) . . . . ? N2 C13 C14 C12 -0.8(2) . . . . ? N2 C13 C14 C15 -178.09(18) . . . . ? N2 C13 C18 C17 178.44(19) . . . . ? N2 C13 C18 C19 5.2(4) . . . . ? C1 C2 C3 C4 0.8(3) . . . . ? C2 C1 C6 C5 -1.1(3) . . . . ? C2 C3 C4 C5 0.4(3) . . . . ? C3 C4 C5 N2 178.96(17) . . . . ? C3 C4 C5 C6 -2.0(3) . . . . ? C4 C5 C6 C1 2.4(3) . . . . ? C5 N2 C7 C8 -19.4(3) . . . . ? C5 N2 C7 C12 160.86(18) . . . . ? C5 N2 C13 C14 -159.62(18) . . . . ? C5 N2 C13 C18 26.1(3) . . . . ? C6 C1 C2 C3 -0.5(3) . . . . ? C7 N2 C5 C4 78.1(2) . . . . ? C7 N2 C5 C6 -100.9(2) . . . . ? C7 N2 C13 C14 0.8(2) . . . . ? C7 N2 C13 C18 -173.45(19) . . . . ? C7 C8 C9 C10 -1.0(3) . . . . ? C7 C12 C14 C13 0.5(2) . . . . ? C7 C12 C14 C15 177.4(2) . . . . ? C8 C7 C12 C11 -0.9(3) . . . . ? C8 C7 C12 C14 -179.79(19) . . . . ? C8 C9 C10 C11 0.4(3) . . . . ? C9 C10 C11 C12 0.0(3) . . . . ? C10 C11 C12 C7 0.2(3) . . . . ? C10 C11 C12 C14 178.8(2) . . . . ? C11 C12 C14 C13 -178.2(2) . . . . ? C11 C12 C14 C15 -1.3(4) . . . . ? C12 C7 C8 C9 1.2(3) . . . . ? C12 C14 C15 C16 -176.7(2) . . . . ? C13 N2 C5 C4 -124.1(2) . . . . ? C13 N2 C5 C6 56.9(3) . . . . ? C13 N2 C7 C8 179.3(2) . . . . ? C13 N2 C7 C12 -0.5(2) . . . . ? C13 C14 C15 C16 -0.3(3) . . . . ? C13 C18 C19 C20 -2.5(4) . . . . ? C13 C18 C19 C24 175.7(2) . . . . ? C14 C13 C18 C17 4.7(3) . . . . ? C14 C13 C18 C19 -168.5(2) . . . . ? C14 C15 C16 C17 1.8(3) . . . . ? C15 C16 C17 N1 173.09(19) . . . . ? C15 C16 C17 C18 0.0(3) . . . . ? C16 C17 C18 C13 -3.2(3) . . . . ? C16 C17 C18 C19 171.90(18) . . . . ? C17 N1 C24 C19 -0.2(2) . . . . ? C17 N1 C24 C23 -177.2(2) . . . . ? C17 N1 C25 C26 56.0(3) . . . . ? C17 N1 C25 C30 -124.8(2) . . . . ? C17 C18 C19 C20 -176.1(2) . . . . ? C17 C18 C19 C24 2.1(2) . . . . ? C18 C13 C14 C12 174.11(17) . . . . ? C18 C13 C14 C15 -3.2(3) . . . . ? C18 C19 C20 C21 -179.6(2) . . . . ? C18 C19 C24 N1 -1.2(2) . . . . ? C18 C19 C24 C23 175.99(19) . . . . ? C19 C20 C21 C22 1.4(4) . . . . ? C20 C19 C24 N1 177.38(17) . . . . ? C20 C19 C24 C23 -5.5(3) . . . . ? C20 C21 C22 C23 -2.2(4) . . . . ? C21 C22 C23 C24 -0.7(4) . . . . ? C22 C23 C24 N1 -178.8(2) . . . . ? C22 C23 C24 C19 4.6(3) . . . . ? C24 N1 C17 C16 -172.4(2) . . . . ? C24 N1 C17 C18 1.6(2) . . . . ? C24 N1 C25 C26 -137.7(2) . . . . ? C24 N1 C25 C30 41.5(3) . . . . ? C24 C19 C20 C21 2.4(3) . . . . ? C25 N1 C17 C16 -4.2(3) . . . . ? C25 N1 C17 C18 169.78(19) . . . . ? C25 N1 C24 C19 -168.53(18) . . . . ? C25 N1 C24 C23 14.5(3) . . . . ? C25 C26 C27 C28 0.2(3) . . . . ? C26 C25 C30 C29 1.1(3) . . . . ? C26 C27 C28 C29 0.8(3) . . . . ? C26 C27 C28 C37 -178.84(18) . . . . ? C27 C28 C29 O1 178.84(17) . . . . ? C27 C28 C29 C30 -0.9(3) . . . . ? C27 C28 C37 O2 0.0(3) . . . . ? C27 C28 C37 C32 -179.96(18) . . . . ? C28 C29 C30 C25 -0.1(3) . . . . ? C29 O1 C31 C32 -0.6(3) . . . . ? C29 O1 C31 C36 179.12(17) . . . . ? C29 C28 C37 O2 -179.6(2) . . . . ? C29 C28 C37 C32 0.4(3) . . . . ? C30 C25 C26 C27 -1.2(3) . . . . ? C31 O1 C29 C28 1.6(3) . . . . ? C31 O1 C29 C30 -178.64(17) . . . . ? C31 C32 C33 C34 0.0(3) . . . . ? C31 C32 C37 O2 -179.4(2) . . . . ? C31 C32 C37 C28 0.5(3) . . . . ? C32 C31 C36 C35 0.3(3) . . . . ? C32 C33 C34 C35 0.3(3) . . . . ? C33 C32 C37 O2 0.7(3) . . . . ? C33 C32 C37 C28 -179.29(18) . . . . ? C33 C34 C35 C36 -0.3(4) . . . . ? C34 C35 C36 C31 0.0(3) . . . . ? C36 C31 C32 C33 -0.3(3) . . . . ? C36 C31 C32 C37 179.83(18) . . . . ? C37 C28 C29 O1 -1.5(3) . . . . ? C37 C28 C29 C30 178.77(18) . . . . ? C37 C32 C33 C34 179.87(19) . . . . ?