#------------------------------------------------------------------------------ #$Date: 2024-06-03 04:30:56 +0300 (Mon, 03 Jun 2024) $ #$Revision: 292172 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/57/17/1571771.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_1571771 loop_ _publ_author_name 'Wu, Yujie' 'zhang, jiasen' 'Li, Deli' 'Du, Songyu' 'Mu, Xilin' 'Liu, Chunyu' 'Fang, Kaibo' 'Feng, Tingting' 'Wang, Tao' 'Li, wei' 'Ge, Ziyi' _publ_section_title ; Optimizing Energy Level Alignment for Achieving Record-breaking Efficiency in Hot Exciton Deep Red OLEDs ; _journal_name_full 'Materials Horizons' _journal_paper_doi 10.1039/D4MH00441H _journal_year 2024 _chemical_formula_sum 'C44 H32 N6' _chemical_formula_weight 644.75 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2yn' _space_group_name_H-M_alt 'P 1 21/n 1' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2019/2 _audit_update_record ; 2023-11-22 deposited with the CCDC. 2024-05-28 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 94.1710(10) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.9279(4) _cell_length_b 10.6851(4) _cell_length_c 35.7149(14) _cell_measurement_temperature 100(2) _cell_volume 3398.0(2) _computing_structure_refinement 'SHELXL-2019/2 (Sheldrick, 2019)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _diffrn_ambient_temperature 100(2) _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.994 _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0904 _diffrn_reflns_av_unetI/netI 0.0802 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.994 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_l_max 44 _diffrn_reflns_limit_l_min -44 _diffrn_reflns_number 28721 _diffrn_reflns_point_group_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.994 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 26.415 _diffrn_reflns_theta_min 1.990 _exptl_absorpt_coefficient_mu 0.076 _exptl_crystal_density_diffrn 1.260 _exptl_crystal_F_000 1352 _exptl_crystal_size_max 0.120 _exptl_crystal_size_mid 0.080 _exptl_crystal_size_min 0.050 _refine_diff_density_max 0.427 _refine_diff_density_min -0.256 _refine_diff_density_rms 0.052 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.047 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 454 _refine_ls_number_reflns 6933 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.047 _refine_ls_R_factor_all 0.1136 _refine_ls_R_factor_gt 0.0602 _refine_ls_shift/su_max 0.003 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0524P)^2^+1.8085P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1290 _refine_ls_wR_factor_ref 0.1566 _reflns_Friedel_coverage 0.000 _reflns_number_gt 4321 _reflns_number_total 6933 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d4mh00441h1.cif _cod_data_source_block 910a_0m _cod_original_sg_symbol_H-M 'P 21/n' _cod_database_code 1571771 _shelx_shelxl_version_number 2019/2 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_min 0.991 _shelx_estimated_absorpt_t_max 0.996 _shelx_res_file ; TITL 910a_0m_a.res in P2(1)/n 910a_0m.res created by SHELXL-2019/2 at 15:59:40 on 10-Sep-2023 REM Old TITL 910A_0m in P2(1)/n REM SHELXT solution in P2(1)/n: R1 0.184, Rweak 0.010, Alpha 0.033 REM 0.568 for 393 systematic absences, Orientation as input REM Formula found by SHELXT: C44 N6 CELL 0.71073 8.9279 10.6851 35.7149 90 94.171 90 ZERR 4 0.0004 0.0004 0.0014 0 0.001 0 LATT 1 SYMM 0.5-X,0.5+Y,0.5-Z SFAC C H N UNIT 176 128 24 L.S. 4 0 30 PLAN 5 SIZE 0.12 0.08 0.05 TEMP -173.15 CONF BOND list 4 fmap 2 MORE -1 BOND $H ACTA REM REM REM WGHT 0.052400 1.808500 FVAR 0.45494 N4 3 0.274082 0.588834 0.506479 11.00000 0.02549 0.03376 = 0.02150 0.00462 0.00652 0.00214 N3 3 0.523171 0.761507 0.508880 11.00000 0.02566 0.03250 = 0.02212 0.00280 0.00584 0.00144 N2 3 0.568629 0.669215 0.449699 11.00000 0.02196 0.03545 = 0.02217 -0.00002 0.00650 -0.00035 N1 3 0.577548 0.300673 0.226205 11.00000 0.04139 0.05177 = 0.02091 -0.00399 0.01199 -0.00690 N6 3 0.480524 0.903298 0.592434 11.00000 0.04150 0.04377 = 0.02903 -0.00381 0.00832 -0.00160 N5 3 0.119501 0.669647 0.587612 11.00000 0.04360 0.05383 = 0.03303 0.00007 0.01604 0.00001 C5 1 0.491873 0.681014 0.481234 11.00000 0.02390 0.03085 = 0.02011 0.00296 0.00371 0.00339 C6 1 0.369964 0.594058 0.479570 11.00000 0.02342 0.03023 = 0.02010 0.00510 0.00324 0.00431 C7 1 0.375148 0.525206 0.445219 11.00000 0.02274 0.03026 = 0.02030 0.00276 0.00331 0.00366 C2 1 0.304488 0.670373 0.534787 11.00000 0.02560 0.03506 = 0.02001 0.00137 0.00495 0.00481 C13 1 0.704151 0.734796 0.442541 11.00000 0.02293 0.03337 = 0.02259 -0.00125 0.00869 -0.00192 C10 1 0.450674 0.437164 0.375338 11.00000 0.02387 0.03423 = 0.02304 0.00163 0.00146 0.00527 C12 1 0.290423 0.428953 0.427877 11.00000 0.02340 0.03696 = 0.02269 0.00484 0.00408 0.00311 AFIX 43 H12 2 0.206756 0.394769 0.439310 11.00000 -1.20000 AFIX 0 C3 1 0.424981 0.753534 0.536078 11.00000 0.02906 0.03271 = 0.01985 0.00310 0.00344 0.00318 C9 1 0.534480 0.533280 0.392475 11.00000 0.02405 0.03753 = 0.02238 0.00387 0.00638 0.00295 AFIX 43 H9 2 0.615744 0.569534 0.380558 11.00000 -1.20000 AFIX 0 C8 1 0.497470 0.575445 0.427304 11.00000 0.02497 0.03195 = 0.02052 0.00221 0.00297 0.00215 C11 1 0.330473 0.384693 0.393959 11.00000 0.02580 0.03580 = 0.02356 -0.00129 0.00199 0.00055 AFIX 43 H11 2 0.275907 0.316659 0.382566 11.00000 -1.20000 AFIX 0 C16 1 0.967183 0.867224 0.430991 11.00000 0.02507 0.03420 = 0.02500 -0.00112 0.00757 -0.00099 C15 1 0.833320 0.894224 0.410395 11.00000 0.02736 0.03848 = 0.03617 0.00965 0.00837 0.00122 AFIX 43 H15 2 0.831259 0.958910 0.392116 11.00000 -1.20000 AFIX 0 C4 1 0.454579 0.837595 0.567565 11.00000 0.02989 0.03546 = 0.02516 0.00420 0.00816 -0.00031 C23 1 0.484497 0.392119 0.337388 11.00000 0.02731 0.03920 = 0.02115 0.00192 0.00478 0.00506 C1 1 0.201940 0.669876 0.564492 11.00000 0.03174 0.03713 = 0.02500 0.00145 0.00519 0.00047 C14 1 0.702099 0.828773 0.415893 11.00000 0.02496 0.04075 = 0.03385 0.00920 0.00465 0.00318 AFIX 43 H14 2 0.611642 0.848494 0.401437 11.00000 -1.20000 AFIX 0 C26 1 0.544810 0.326086 0.263620 11.00000 0.03420 0.04761 = 0.01891 0.00026 0.00723 0.00241 C29 1 0.534293 0.190186 0.206900 11.00000 0.02761 0.05436 = 0.02314 -0.00369 0.00527 0.00021 C24 1 0.624274 0.417496 0.323574 11.00000 0.02904 0.04034 = 0.02466 -0.00082 0.00376 0.00003 AFIX 43 H24 2 0.700103 0.457746 0.339275 11.00000 -1.20000 AFIX 0 C18 1 0.835998 0.704772 0.462938 11.00000 0.02998 0.04821 = 0.03318 0.01589 0.00340 -0.00285 AFIX 43 H18 2 0.838062 0.639234 0.480942 11.00000 -1.20000 AFIX 0 C34 1 0.498466 0.080841 0.225578 11.00000 0.02933 0.05474 = 0.02422 -0.00470 0.00548 -0.00292 AFIX 43 H34 2 0.495648 0.081713 0.252116 11.00000 -1.20000 AFIX 0 C27 1 0.406192 0.298361 0.277275 11.00000 0.03052 0.05535 = 0.02395 -0.00715 0.00313 -0.00179 AFIX 43 H27 2 0.330797 0.257388 0.261624 11.00000 -1.20000 AFIX 0 C19 1 1.112608 0.939945 0.426550 11.00000 0.02383 0.03956 = 0.03315 0.00201 0.00757 -0.00494 C25 1 0.653010 0.384666 0.287411 11.00000 0.03259 0.04343 = 0.02670 0.00091 0.01030 0.00079 AFIX 43 H25 2 0.748645 0.402494 0.278634 11.00000 -1.20000 AFIX 0 C31 1 0.504116 0.076693 0.148473 11.00000 0.03094 0.06391 = 0.02312 -0.00613 0.00217 -0.00260 AFIX 43 H31 2 0.505761 0.075584 0.121909 11.00000 -1.20000 AFIX 0 C30 1 0.533915 0.186616 0.167675 11.00000 0.03219 0.05798 = 0.02361 -0.00084 0.00560 0.00049 AFIX 43 H30 2 0.554389 0.260649 0.154231 11.00000 -1.20000 AFIX 0 C28 1 0.378614 0.330720 0.313751 11.00000 0.02806 0.05172 = 0.02417 -0.00300 0.00584 0.00085 AFIX 43 H28 2 0.284238 0.310162 0.322809 11.00000 -1.20000 AFIX 0 C40 1 0.818918 0.357692 0.200794 11.00000 0.04431 0.04436 = 0.02344 -0.00477 0.00621 0.00018 C35 1 0.669815 0.391044 0.208374 11.00000 0.04215 0.04994 = 0.02357 -0.00816 0.00822 -0.00438 C39 1 0.906775 0.449458 0.182566 11.00000 0.04328 0.04682 = 0.02232 -0.00485 0.00659 -0.00687 C41 1 0.883737 0.242458 0.210730 11.00000 0.04117 0.04449 = 0.02899 -0.00426 0.00734 -0.00241 AFIX 43 H41 2 0.826661 0.181624 0.222876 11.00000 -1.20000 AFIX 0 C33 1 0.467023 -0.028689 0.206063 11.00000 0.03025 0.05762 = 0.03156 -0.00118 0.00303 -0.00649 AFIX 43 H33 2 0.441961 -0.102129 0.219237 11.00000 -1.20000 AFIX 0 C32 1 0.471806 -0.032210 0.167222 11.00000 0.03077 0.06300 = 0.03467 -0.01121 0.00252 -0.00891 AFIX 43 H32 2 0.453207 -0.108077 0.153812 11.00000 -1.20000 AFIX 0 C17 1 0.965239 0.770628 0.457032 11.00000 0.02404 0.05948 = 0.03635 0.01398 -0.00125 -0.00439 AFIX 43 H17 2 1.055757 0.749245 0.471221 11.00000 -1.20000 AFIX 0 C38 1 0.842197 0.569015 0.174251 11.00000 0.05382 0.05381 = 0.02197 -0.00314 0.00665 -0.00758 AFIX 43 H38 2 0.899656 0.630208 0.162367 11.00000 -1.20000 AFIX 0 C36 1 0.611514 0.506599 0.200189 11.00000 0.05619 0.04367 = 0.02902 -0.00114 0.00523 0.00261 AFIX 43 H36 2 0.512054 0.526320 0.205986 11.00000 -1.20000 AFIX 0 C37 1 0.700666 0.597812 0.182864 11.00000 0.05684 0.04681 = 0.03360 -0.00503 0.00300 -0.00010 AFIX 43 H37 2 0.660899 0.678750 0.177358 11.00000 -1.20000 AFIX 0 C44 1 1.054170 0.419037 0.175211 11.00000 0.05033 0.06311 = 0.02980 -0.00521 0.00737 -0.00709 AFIX 43 H44 2 1.113287 0.478840 0.163241 11.00000 -1.20000 AFIX 0 C42 1 1.030440 0.215591 0.203101 11.00000 0.04521 0.05220 = 0.04157 -0.00491 0.00247 0.00519 AFIX 43 H42 2 1.073782 0.137081 0.210139 11.00000 -1.20000 AFIX 0 C43 1 1.114788 0.305457 0.184849 11.00000 0.03884 0.06568 = 0.03941 -0.00823 0.00850 0.00230 AFIX 43 H43 2 1.214711 0.286718 0.179217 11.00000 -1.20000 AFIX 0 C21 1 1.096984 1.036473 0.394841 11.00000 0.03438 0.04408 = 0.09221 0.02165 0.01302 -0.00458 AFIX 137 H21A 2 1.064253 0.994523 0.371250 11.00000 -1.50000 H21B 2 1.194141 1.077080 0.392296 11.00000 -1.50000 H21C 2 1.022553 1.099620 0.400676 11.00000 -1.50000 AFIX 0 C22 1 1.235227 0.848816 0.416098 11.00000 0.03004 0.05243 = 0.08574 0.02197 0.01946 0.00318 AFIX 137 H22A 2 1.250745 0.785129 0.435743 11.00000 -1.50000 H22B 2 1.329039 0.894774 0.413699 11.00000 -1.50000 H22C 2 1.204363 0.808231 0.392164 11.00000 -1.50000 AFIX 0 C20 1 1.160646 1.005160 0.463353 11.00000 0.08049 0.15657 = 0.05988 -0.04427 0.03155 -0.07924 AFIX 137 H20A 2 1.081428 1.062857 0.469968 11.00000 -1.50000 H20B 2 1.253478 1.052084 0.460548 11.00000 -1.50000 H20C 2 1.177973 0.942544 0.483247 11.00000 -1.50000 AFIX 0 HKLF 4 REM 910a_0m_a.res in P2(1)/n REM wR2 = 0.1566, GooF = S = 1.047, Restrained GooF = 1.047 for all data REM R1 = 0.0602 for 4321 Fo > 4sig(Fo) and 0.1136 for all 6933 data REM 454 parameters refined using 0 restraints END WGHT 0.0507 1.8597 REM Highest difference peak 0.427, deepest hole -0.256, 1-sigma level 0.052 Q1 1 0.5157 0.6197 0.1887 11.00000 0.05 0.43 Q2 1 0.6290 0.6815 0.1690 11.00000 0.05 0.37 Q3 1 0.9602 0.3355 0.1882 11.00000 0.05 0.33 Q4 1 0.7806 0.4993 0.1799 11.00000 0.05 0.28 Q5 1 0.7194 0.3112 0.2130 11.00000 0.05 0.25 ; _shelx_res_checksum 51547 _shelx_hkl_file ; -1 0 0 0.80 1.20 1 0 0 1.00 1.10 -3 0 0 -3.80 2.10 3 0 0 0.60 3.00 -4 0 0 202.08 15.70 4 0 0 209.28 16.40 5 0 0 20.40 6.70 -6 0 0 571.14 36.30 6 0 0 598.74 38.00 -7 0 0 6.80 5.80 7 0 0 10.40 5.20 7 0 0 0.40 5.40 -8 0 0 9.70 7.70 8 0 0 16.10 8.60 9 0 0 1.90 7.10 10 0 0 25.00 10.90 11 0 0 -4.10 9.10 11 -1 0 26.90 11.80 10 -1 0 2.60 8.40 9 -1 0 15.60 8.50 8 -1 0 367.06 31.70 -8 1 0 438.66 31.20 7 -1 0 10.60 7.50 -7 1 0 0.80 4.30 6 -1 0 105.09 13.20 -6 1 0 106.79 12.70 5 -1 0 66.29 10.90 -5 1 0 59.49 9.70 4 -1 0 988.80 50.99 -4 1 0 922.31 50.09 3 -1 0 3040.20 136.09 -3 1 0 2721.63 135.19 2 -1 0 203.98 13.10 -2 1 0 207.98 13.00 1 -1 0 1931.21 88.79 -1 1 0 1903.01 88.79 0 -1 0 -0.50 1.20 -1 -1 0 1977.70 92.49 -1 -1 0 2006.60 92.09 1 1 0 2023.70 92.69 1 1 0 1950.20 91.99 -2 -1 0 233.88 14.20 2 1 0 200.68 13.60 2 1 0 215.78 14.10 -3 -1 0 2746.13 128.19 3 1 0 2660.43 128.49 -4 -1 0 944.61 54.09 4 1 0 1094.39 55.69 4 1 0 1081.09 55.79 -5 -1 0 44.60 8.60 5 1 0 54.99 10.10 5 1 0 62.29 11.30 -6 -1 0 99.29 12.40 6 1 0 144.79 15.60 6 1 0 105.59 13.20 7 1 0 10.10 5.80 7 1 0 9.80 6.80 -8 -1 0 394.06 33.60 8 1 0 394.76 32.80 9 1 0 18.50 9.80 10 1 0 14.50 9.60 11 1 0 11.70 12.10 10 -2 0 9.10 9.60 9 -2 0 21.80 9.30 8 -2 0 122.49 19.20 -8 2 0 144.29 16.90 7 -2 0 17.80 8.10 -7 2 0 23.50 8.20 6 -2 0 52.89 10.50 -6 2 0 66.49 11.30 5 -2 0 439.06 29.00 -5 2 0 447.96 28.40 4 -2 0 64.79 9.40 -4 2 0 18.00 10.20 3 -2 0 153.08 12.10 -3 2 0 153.38 12.20 2 -2 0 0.50 2.60 -2 2 0 -1.10 2.10 1 -2 0 151.28 9.90 1 -2 0 148.59 10.30 0 -2 0 71.89 4.50 0 2 0 71.49 4.40 -1 -2 0 152.28 9.20 -1 -2 0 138.89 10.40 1 2 0 141.39 10.50 1 2 0 145.49 9.00 -2 -2 0 -4.00 2.40 2 2 0 -3.40 2.70 2 2 0 1.10 2.50 -3 -2 0 166.58 13.60 3 2 0 182.68 14.60 3 2 0 180.78 13.70 -4 -2 0 70.89 10.40 4 2 0 54.09 9.30 4 2 0 86.89 12.50 -5 -2 0 461.75 31.00 5 2 0 531.05 32.40 5 2 0 455.95 31.70 -6 -2 0 61.19 11.50 6 2 0 79.69 14.00 6 2 0 77.49 12.60 -7 -2 0 26.30 8.20 7 2 0 28.80 10.10 7 2 0 28.60 8.40 8 2 0 92.19 17.60 9 2 0 22.90 10.90 10 2 0 1.60 8.70 10 -3 0 27.20 11.60 9 -3 0 11.00 8.60 8 -3 0 15.20 7.20 -8 3 0 3.00 7.10 7 -3 0 2.90 5.60 -7 3 0 9.40 7.10 6 -3 0 92.09 14.40 -6 3 0 105.59 14.70 5 -3 0 39.10 8.60 -5 3 0 31.90 7.70 4 -3 0 148.39 13.40 -4 3 0 168.78 14.30 3 -3 0 341.37 21.80 -3 3 0 346.87 21.80 2 -3 0 510.75 27.30 2 -3 0 439.36 25.60 1 -3 0 50.89 4.40 1 -3 0 65.89 7.20 -1 3 0 53.29 6.10 0 -3 0 1.40 1.40 0 3 0 -0.60 2.80 0 3 0 0.60 1.20 -1 -3 0 63.09 7.30 -1 -3 0 65.29 5.60 1 3 0 58.19 5.20 -2 -3 0 503.05 27.50 -2 -3 0 517.75 29.30 2 3 0 498.55 29.60 2 3 0 500.45 27.20 -3 -3 0 380.96 24.50 3 3 0 379.86 23.40 3 3 0 383.76 25.20 -4 -3 0 168.18 15.30 4 3 0 178.88 16.40 4 3 0 175.18 14.80 -5 -3 0 29.60 8.00 5 3 0 36.80 9.40 5 3 0 40.80 9.00 -6 -3 0 85.49 13.90 6 3 0 76.89 14.80 6 3 0 107.69 12.90 -7 -3 0 5.50 5.60 7 3 0 18.30 7.60 7 3 0 4.40 7.40 8 3 0 9.60 8.60 9 3 0 7.90 9.30 10 3 0 20.00 12.50 10 -4 0 2.40 8.60 9 -4 0 -0.20 6.50 8 -4 0 -0.20 6.10 -8 4 0 -4.40 6.10 7 -4 0 382.26 29.90 -7 4 0 401.16 32.60 6 -4 0 193.18 18.70 -6 4 0 200.28 18.40 5 -4 0 170.98 16.10 -5 4 0 189.48 17.00 4 -4 0 88.99 11.00 -4 4 0 95.19 11.10 3 -4 0 25.20 6.30 3 -4 0 18.10 4.60 -3 4 0 16.60 5.40 2 -4 0 545.35 31.70 2 -4 0 588.84 32.60 2 -4 0 541.15 28.80 1 -4 0 27.50 3.40 -1 4 0 32.10 6.20 0 -4 0 818.52 39.20 0 4 0 815.72 44.20 0 4 0 803.42 38.60 -1 -4 0 28.20 4.30 -1 -4 0 44.80 7.40 1 4 0 29.90 4.10 -2 -4 0 623.64 47.90 -2 -4 0 562.54 31.60 2 4 0 607.34 31.30 -3 -4 0 33.50 7.90 3 4 0 25.60 7.10 3 4 0 28.60 6.20 -4 -4 0 84.89 13.00 4 4 0 102.59 11.20 4 4 0 124.49 14.00 -5 -4 0 186.58 18.00 5 4 0 214.58 18.10 5 4 0 204.18 19.80 -6 -4 0 217.58 20.90 6 4 0 209.48 22.00 6 4 0 216.38 19.80 -7 -4 0 458.35 46.70 7 4 0 500.15 34.70 7 4 0 450.65 36.70 8 4 0 -8.10 5.00 9 4 0 -12.10 7.40 10 4 0 25.10 13.30 10 -5 0 -17.20 7.90 9 -5 0 9.20 8.60 8 -5 0 3.50 7.30 7 -5 0 6.20 6.50 -7 5 0 6.80 7.00 6 -5 0 61.79 12.60 -6 5 0 70.39 13.20 5 -5 0 120.89 11.90 5 -5 0 132.29 14.20 -5 5 0 153.58 15.60 4 -5 0 30.20 6.40 4 -5 0 35.70 7.70 3 -5 0 553.94 32.10 3 -5 0 474.85 30.10 3 -5 0 476.15 27.70 2 -5 0 67.69 6.60 2 -5 0 87.69 10.10 2 -5 0 86.79 10.10 1 -5 0 4.40 2.00 -1 5 0 8.80 4.20 0 -5 0 2.00 1.70 0 5 0 -0.20 3.70 0 5 0 6.10 1.90 -1 -5 0 9.00 3.00 -1 -5 0 11.50 5.30 1 5 0 12.90 2.90 -2 -5 0 97.09 11.30 -2 -5 0 78.99 8.10 2 5 0 90.79 8.10 3 5 0 598.44 33.30 -4 -5 0 44.00 9.00 4 5 0 49.00 10.80 4 5 0 34.70 7.40 -5 -5 0 158.48 16.30 5 5 0 126.99 14.20 5 5 0 163.58 18.30 -6 -5 0 28.70 9.60 6 5 0 70.39 15.10 6 5 0 60.69 11.30 7 5 0 5.50 7.90 7 5 0 17.70 8.30 8 5 0 16.90 9.80 9 5 0 4.70 8.40 9 -6 0 4.50 6.90 9 -6 0 6.50 7.70 8 -6 0 27.10 10.40 8 -6 0 55.29 21.60 7 -6 0 63.99 14.00 7 -6 0 44.30 8.70 -7 6 0 79.49 14.90 6 -6 0 72.59 9.70 6 -6 0 69.99 13.40 -6 6 0 108.09 16.00 5 -6 0 3.10 4.30 5 -6 0 13.30 6.60 4 -6 0 62.29 10.20 4 -6 0 60.89 9.00 4 -6 0 70.29 12.20 3 -6 0 9.70 5.00 3 -6 0 1.20 3.60 3 -6 0 3.90 3.00 2 -6 0 23.20 4.30 2 -6 0 28.40 7.80 1 -6 0 144.69 10.20 -1 6 0 170.08 15.00 0 -6 0 159.88 11.10 0 6 0 186.98 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6.20 5.60 4 9 -1 9.60 4.80 3 9 -1 16.60 4.90 2 9 -1 410.16 23.40 2 9 -1 429.96 35.30 -2 -9 1 370.26 25.60 -2 -9 1 448.36 32.50 1 9 -1 385.26 21.60 1 9 -1 375.26 32.30 -1 -9 1 369.46 29.90 -1 -9 1 416.36 24.10 0 9 -1 50.89 12.10 0 -9 1 63.09 7.40 -1 9 -1 147.89 17.90 1 -9 1 140.59 11.60 2 -9 1 8.40 4.00 2 -9 1 5.70 6.40 3 -9 1 5.10 6.00 4 -9 1 72.99 14.30 4 -9 1 81.99 9.70 5 -9 1 -2.30 5.10 5 -9 1 8.70 4.80 6 -9 1 27.50 9.60 6 -9 1 30.80 8.00 7 -9 1 10.90 7.60 7 -9 1 8.00 6.00 8 -9 1 -8.00 5.70 8 -9 1 3.10 7.20 6 8 -1 67.09 14.40 5 8 -1 -2.10 4.80 4 8 -1 21.40 6.20 -4 -8 1 13.50 6.90 3 8 -1 23.60 5.20 -3 -8 1 0.50 6.60 2 8 -1 -3.00 2.50 2 8 -1 7.60 12.80 -2 -8 1 -0.70 3.10 -2 -8 1 -1.70 5.90 1 8 -1 43.10 5.20 1 8 -1 45.50 12.40 -1 -8 1 36.70 6.20 -1 -8 1 46.20 9.70 0 8 -1 27.80 4.40 0 8 -1 21.90 8.50 0 -8 1 24.20 4.80 -1 8 -1 -4.50 3.70 1 -8 1 0.90 2.30 2 -8 1 1.60 6.40 2 -8 1 11.70 3.90 3 -8 1 9.10 3.70 3 -8 1 5.20 6.60 4 -8 1 245.98 22.40 4 -8 1 215.48 16.90 5 -8 1 61.69 10.00 5 -8 1 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259.57 16.60 2 -3 3 280.07 16.20 -3 3 -3 28.70 5.70 3 -3 3 29.90 5.70 -4 3 -3 309.47 19.90 4 -3 3 266.67 19.30 -5 3 -3 7.50 4.40 -6 3 -3 2.20 4.00 6 -3 3 -0.90 4.30 -7 3 -3 356.46 26.40 7 -3 3 313.17 26.40 -8 3 -3 44.20 11.60 8 -3 3 45.00 11.90 9 -3 3 75.59 19.70 10 -3 3 7.40 8.90 11 2 -3 -15.10 10.60 10 2 -3 9.90 10.20 9 2 -3 10.00 8.10 8 2 -3 16.50 16.00 7 2 -3 -2.70 5.50 7 2 -3 -6.10 4.50 -7 -2 3 -1.20 4.40 6 2 -3 28.80 8.80 6 2 -3 21.10 7.20 -6 -2 3 11.10 5.90 5 2 -3 155.48 16.30 5 2 -3 148.29 14.90 -5 -2 3 177.08 15.90 4 2 -3 13.50 5.50 -4 -2 3 11.50 5.50 3 2 -3 12.90 4.60 3 2 -3 13.40 4.70 -3 -2 3 16.60 4.90 -3 -2 3 11.80 4.40 2 2 -3 951.90 48.50 2 2 -3 929.81 49.00 -2 -2 3 983.50 48.90 -2 -2 3 1007.40 49.30 1 2 -3 2251.57 103.69 1 2 -3 2077.49 105.09 1 2 -3 2161.88 102.59 -1 -2 3 2275.87 103.49 -1 -2 3 2261.07 102.99 0 2 -3 9.40 2.20 0 2 -3 7.80 3.50 0 -2 3 -0.10 2.80 0 -2 3 4.70 1.90 -1 2 -3 2742.43 132.89 1 -2 3 2869.51 133.19 1 -2 3 3065.19 133.39 -2 2 -3 3747.02 175.98 2 -2 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3 1565.84 80.99 -6 0 -3 -8.00 3.30 6 0 3 -1.90 3.50 -7 0 -3 103.39 13.00 7 0 3 98.19 15.80 -8 0 -3 10.10 7.40 8 0 3 4.00 6.80 9 0 3 27.40 10.80 10 0 3 -11.00 5.90 11 0 3 23.10 14.60 11 -1 -3 2.70 5.90 10 -1 -3 43.30 13.90 9 -1 -3 38.70 12.30 8 -1 -3 39.90 11.80 -8 1 3 27.40 8.60 7 -1 -3 2.30 5.60 7 -1 -3 -5.30 4.00 -7 1 3 0.60 5.90 6 -1 -3 173.28 17.10 6 -1 -3 192.48 18.30 -6 1 3 161.48 16.50 5 -1 -3 213.78 17.80 5 -1 -3 176.38 16.50 -5 1 3 193.08 16.50 4 -1 -3 609.34 34.80 4 -1 -3 572.24 34.30 -4 1 3 588.84 34.40 3 -1 -3 202.28 14.90 3 -1 -3 212.78 15.00 -3 1 3 209.48 14.90 2 -1 -3 18.90 4.50 2 -1 -3 16.90 4.10 -2 1 3 19.90 4.70 1 -1 -3 106.89 8.10 1 -1 -3 112.29 7.30 -1 1 3 111.69 8.10 -1 1 3 116.79 7.30 0 -1 -3 84.09 4.30 0 1 3 75.19 4.20 -1 -1 -3 357.16 19.20 -3 -1 -3 4.90 3.30 3 1 3 2.20 3.30 -4 -1 -3 285.87 32.30 4 1 3 361.36 23.20 -5 -1 -3 24.70 6.70 5 1 3 21.60 6.90 -6 -1 -3 54.29 10.10 6 1 3 63.19 11.90 -7 -1 -3 21.80 7.40 7 1 3 38.50 10.80 -8 -1 -3 2.10 4.90 8 1 3 1.40 5.40 9 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0 7 -4 -1.00 4.60 0 7 -4 0.90 2.20 0 -7 4 2.00 2.80 -1 7 -4 12.70 6.30 1 -7 4 19.00 4.80 2 -7 4 55.09 10.80 2 -7 4 52.69 7.70 2 -7 4 59.09 11.90 3 -7 4 1.00 3.90 3 -7 4 -0.50 2.30 3 -7 4 -3.50 3.60 4 -7 4 11.20 6.10 4 -7 4 23.50 7.50 4 -7 4 20.00 5.90 5 -7 4 2.20 4.90 5 -7 4 -4.20 3.30 5 -7 4 5.10 3.80 6 -7 4 11.60 6.20 6 -7 4 18.40 6.60 6 -7 4 13.00 6.60 7 -7 4 -1.80 4.40 7 -7 4 7.60 5.40 7 -7 4 -5.20 9.70 8 -7 4 30.20 9.50 8 -7 4 31.90 9.00 8 -7 4 27.00 8.80 9 -7 4 -5.00 5.70 9 -7 4 5.40 5.90 9 -7 4 -10.20 7.20 9 6 -4 5.60 8.90 8 6 -4 13.10 10.90 7 6 -4 48.60 11.40 7 6 -4 25.30 10.30 6 6 -4 138.49 31.30 6 6 -4 127.59 20.80 5 6 -4 400.36 32.20 5 6 -4 400.66 27.90 -5 -6 4 401.26 30.10 4 6 -4 -3.50 4.40 4 6 -4 0.30 3.20 -4 -6 4 3.60 3.90 -4 -6 4 6.50 5.60 3 6 -4 35.40 6.60 -3 -6 4 25.90 7.50 -3 -6 4 16.30 5.70 2 6 -4 23.10 7.90 2 6 -4 13.20 4.10 -2 -6 4 8.20 5.30 -2 -6 4 13.30 4.60 1 6 -4 90.89 14.30 1 6 -4 88.49 7.80 -1 -6 4 75.19 9.90 -1 -6 4 69.89 8.00 0 6 -4 8.40 5.10 0 6 -4 3.90 2.60 0 -6 4 2.40 2.50 -1 6 -4 62.19 6.40 -1 6 -4 83.09 12.70 1 -6 4 56.89 6.80 2 -6 4 416.66 30.90 2 -6 4 428.86 25.10 2 -6 4 440.26 28.20 3 -6 4 10.80 5.10 3 -6 4 12.90 7.70 3 -6 4 10.80 5.30 4 -6 4 3.20 4.40 4 -6 4 5.90 8.00 4 -6 4 7.10 3.80 5 -6 4 2.50 4.30 5 -6 4 -2.50 3.70 5 -6 4 -2.60 2.90 6 -6 4 -2.00 3.90 6 -6 4 7.40 5.30 -7 6 -4 28.20 15.00 7 -6 4 11.20 6.60 7 -6 4 -0.30 4.60 -8 6 -4 5.60 7.90 8 -6 4 12.60 7.50 9 -6 4 62.29 14.90 10 5 -4 48.70 26.30 9 5 -4 -3.40 6.90 8 5 -4 -7.50 6.40 7 5 -4 -1.90 6.50 6 5 -4 140.09 17.90 6 5 -4 121.49 14.70 -6 -5 4 105.19 16.80 5 5 -4 7.60 5.10 5 5 -4 11.90 7.00 4 5 -4 69.59 11.00 4 5 -4 87.89 13.70 -4 -5 4 74.29 12.10 -4 -5 4 61.29 10.60 3 5 -4 59.69 8.60 3 5 -4 56.89 10.70 -3 -5 4 40.80 8.90 -3 -5 4 46.00 8.50 2 5 -4 1.30 4.40 2 5 -4 4.30 3.00 -2 -5 4 -5.20 3.30 1 5 -4 3.40 5.00 1 5 -4 13.80 3.80 -1 -5 4 13.60 5.30 -1 -5 4 8.80 3.50 0 5 -4 28.80 7.80 0 5 -4 40.50 5.40 0 -5 4 38.80 5.90 -1 5 -4 1038.10 48.90 1 -5 4 909.91 49.10 1 -5 4 1023.70 55.89 2 -5 4 133.99 12.10 2 -5 4 118.09 13.20 2 -5 4 138.99 10.70 3 -5 4 108.59 11.90 3 -5 4 116.39 10.30 3 -5 4 126.49 11.90 4 -5 4 29.90 7.00 4 -5 4 42.10 7.30 -5 5 -4 7.50 5.30 5 -5 4 7.10 4.90 -6 5 -4 164.48 16.40 6 -5 4 140.69 15.50 -7 5 -4 10.90 6.70 7 -5 4 5.10 5.50 8 -5 4 3.00 5.50 9 -5 4 -10.10 5.50 10 -5 4 -10.90 7.90 10 4 -4 20.50 11.10 9 4 -4 6.40 7.20 8 4 -4 7.20 7.90 7 4 -4 92.89 16.50 7 4 -4 87.79 17.40 6 4 -4 136.19 17.40 6 4 -4 114.89 16.50 -6 -4 4 102.19 15.80 5 4 -4 5.80 5.60 5 4 -4 19.80 6.30 -5 -4 4 4.40 5.60 4 4 -4 149.88 15.10 4 4 -4 130.99 12.80 -4 -4 4 127.99 13.20 -4 -4 4 136.39 14.10 3 4 -4 8.40 4.70 3 4 -4 10.50 9.80 -3 -4 4 20.50 7.00 -3 -4 4 26.90 6.20 2 4 -4 7.30 3.60 2 4 -4 2.40 4.20 -2 -4 4 4.20 3.50 -2 -4 4 13.70 5.00 1 4 -4 387.86 20.60 1 4 -4 367.46 25.10 -1 -4 4 357.46 22.20 -1 -4 4 338.37 20.80 0 4 -4 635.74 36.70 0 4 -4 642.34 32.10 0 -4 4 674.23 38.40 0 -4 4 590.44 32.50 -1 4 -4 43.00 5.10 1 -4 4 63.19 9.90 1 -4 4 49.10 5.50 2 -4 4 488.55 30.70 2 -4 4 573.14 30.00 2 -4 4 508.25 28.30 3 -4 4 7.90 3.30 3 -4 4 5.00 3.30 -4 4 -4 38.30 8.00 4 -4 4 49.80 8.40 -5 4 -4 8.20 4.50 5 -4 4 4.20 4.30 -6 4 -4 4.30 5.40 6 -4 4 -3.00 4.40 -7 4 -4 46.80 10.40 7 -4 4 52.69 11.20 -8 4 -4 -5.20 5.20 8 -4 4 10.60 7.20 9 -4 4 43.30 20.10 10 -4 4 -0.80 8.10 10 3 -4 56.99 15.90 9 3 -4 122.69 21.60 8 3 -4 69.69 16.20 7 3 -4 6.40 8.70 7 3 -4 20.10 7.40 -7 -3 4 -0.60 5.00 6 3 -4 6.20 7.00 6 3 -4 18.10 6.80 -6 -3 4 0.20 4.40 5 3 -4 72.59 11.70 5 3 -4 43.40 9.90 -5 -3 4 48.90 10.10 4 3 -4 75.49 11.00 4 3 -4 83.49 12.70 -4 -3 4 81.39 10.60 3 3 -4 1019.20 53.69 3 3 -4 1047.90 55.19 -3 -3 4 1047.10 54.39 -3 -3 4 1028.60 55.09 2 3 -4 32.80 5.70 2 3 -4 32.50 6.50 -2 -3 4 26.70 6.00 -2 -3 4 39.40 6.40 1 3 -4 302.77 18.90 1 3 -4 305.37 21.10 1 3 -4 313.67 17.70 -1 -3 4 328.67 18.30 -1 -3 4 300.37 18.60 0 3 -4 1018.40 52.89 0 3 -4 987.90 49.30 0 -3 4 1041.40 53.99 0 -3 4 1053.99 49.90 -1 3 -4 2537.95 122.69 1 -3 4 2683.23 126.39 1 -3 4 2729.23 123.19 2 -3 4 733.13 36.50 2 -3 4 687.53 36.30 -3 3 -4 61.49 7.10 3 -3 4 52.09 6.60 -4 3 -4 275.17 17.80 4 -3 4 212.78 16.60 -5 3 -4 163.38 14.20 5 -3 4 139.19 14.00 -6 3 -4 9.30 5.90 6 -3 4 13.60 6.10 -7 3 -4 218.28 19.00 7 -3 4 171.68 18.60 -8 3 -4 100.69 16.20 8 -3 4 86.09 15.90 9 -3 4 57.29 24.30 10 -3 4 9.40 7.80 11 2 -4 30.00 13.90 10 2 -4 1.80 8.90 9 2 -4 3.20 7.90 7 2 -4 3.50 6.40 7 2 -4 -7.20 4.10 -7 -2 4 -4.10 3.90 6 2 -4 85.69 13.90 6 2 -4 100.99 15.60 -6 -2 4 90.59 13.80 5 2 -4 149.88 15.60 5 2 -4 134.39 14.10 -5 -2 4 162.28 15.10 4 2 -4 15.90 11.70 4 2 -4 3.00 3.80 -4 -2 4 6.60 4.60 3 2 -4 298.57 20.10 3 2 -4 318.37 20.00 -3 -2 4 284.37 19.60 -3 -2 4 288.47 19.80 2 2 -4 607.44 32.60 2 2 -4 604.34 33.00 -2 -2 4 617.84 33.00 -2 -2 4 630.44 33.20 1 2 -4 3058.89 147.89 1 2 -4 3150.48 145.29 1 2 -4 3158.88 145.79 -1 -2 4 3157.18 145.59 -1 -2 4 3195.78 145.69 0 2 -4 4565.64 218.38 0 2 -4 4756.72 220.98 0 -2 4 4899.51 221.48 0 -2 4 4953.10 218.88 0 -2 4 4751.32 218.28 -2 2 -4 4922.21 232.38 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12.70 3.90 2 -13 -4 -15.30 8.60 1 -13 -4 12.20 10.10 2 13 -5 4.20 7.70 -1 -13 5 8.40 14.20 0 -13 5 2.00 7.20 2 -13 5 -4.70 7.70 2 -13 5 14.30 7.00 4 12 -5 9.50 6.80 3 12 -5 24.20 6.40 2 12 -5 -8.20 4.30 -2 -12 5 6.60 6.70 1 -12 5 18.20 8.50 2 -12 5 4.10 5.60 2 -12 5 17.80 9.70 3 -12 5 3.00 5.60 4 -12 5 -6.40 7.60 4 -12 5 -15.80 5.40 5 11 -5 7.40 7.50 4 11 -5 4.00 5.60 3 11 -5 0.90 4.70 -3 -11 5 8.40 5.80 2 11 -5 16.70 5.40 -2 -11 5 16.70 5.70 1 11 -5 5.70 4.30 1 -11 5 -3.00 5.70 1 -11 5 -30.10 13.00 2 -11 5 -0.40 4.20 2 -11 5 -0.80 5.20 3 -11 5 9.70 6.00 3 -11 5 6.50 7.00 4 -11 5 31.50 10.40 4 -11 5 15.30 6.80 5 -11 5 20.70 10.70 5 -11 5 14.90 6.90 6 -11 5 11.30 6.50 6 -11 5 12.60 9.10 6 10 -5 0.40 7.10 5 10 -5 16.10 12.90 4 10 -5 0.40 4.80 3 10 -5 6.50 4.60 -3 -10 5 15.10 6.70 2 10 -5 169.58 13.90 -2 -10 5 170.28 16.70 1 10 -5 25.20 5.30 -1 -10 5 32.90 9.40 -1 -10 5 21.10 7.60 0 10 -5 10.00 16.80 0 10 -5 12.60 4.60 0 -10 5 22.20 8.40 0 -10 5 10.20 4.60 1 -10 5 89.89 28.40 2 -10 5 45.30 8.40 2 -10 5 28.70 10.10 3 -10 5 -4.20 6.00 3 -10 5 4.50 4.10 4 -10 5 -11.50 5.30 4 -10 5 4.70 4.40 5 -10 5 16.50 7.00 5 -10 5 1.70 5.40 6 -10 5 3.80 6.20 6 -10 5 11.00 9.20 7 -10 5 -3.60 6.00 7 -10 5 -10.50 4.80 6 9 -5 21.20 8.20 5 9 -5 26.40 7.50 4 9 -5 -2.00 4.20 -4 -9 5 0.30 5.50 3 9 -5 246.78 17.90 -3 -9 5 226.08 21.90 -3 -9 5 218.88 19.40 2 9 -5 18.00 9.10 2 9 -5 8.20 4.10 -2 -9 5 -8.30 7.50 -2 -9 5 2.40 5.30 1 9 -5 8.40 3.60 1 9 -5 11.50 7.30 -1 -9 5 0.50 5.70 -1 -9 5 13.90 4.90 0 9 -5 4.50 3.10 0 9 -5 3.40 6.60 0 -9 5 -9.90 5.00 0 -9 5 -5.60 3.30 1 -9 5 169.78 14.30 2 -9 5 13.60 4.70 2 -9 5 3.10 6.50 3 -9 5 14.70 6.70 3 -9 5 17.40 5.50 4 -9 5 8.70 4.50 4 -9 5 22.70 8.40 5 -9 5 -0.30 4.10 5 -9 5 4.00 4.70 5 -9 5 2.50 5.60 6 -9 5 0.10 5.70 6 -9 5 9.10 5.50 6 -9 5 4.70 6.50 7 -9 5 14.20 7.20 7 -9 5 -1.10 6.30 7 -9 5 3.10 6.80 8 -9 5 14.00 9.70 8 -9 5 8.90 7.40 8 -9 5 -2.40 7.40 6 8 -5 14.70 7.30 5 8 -5 97.29 13.70 4 8 -5 302.67 21.00 -4 -8 5 256.87 23.30 -4 -8 5 225.58 21.10 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5.40 10 -4 6 12.50 9.50 10 3 -6 15.80 10.00 9 3 -6 67.79 16.90 8 3 -6 -1.30 7.00 7 3 -6 5.20 7.10 7 3 -6 22.50 8.00 -7 -3 6 11.00 7.20 6 3 -6 5.80 5.60 6 3 -6 2.50 6.00 -6 -3 6 9.20 5.90 5 3 -6 7.80 5.30 5 3 -6 -1.00 4.30 -5 -3 6 13.90 5.80 4 3 -6 41.10 8.60 4 3 -6 41.70 9.10 -4 -3 6 42.30 8.80 -4 -3 6 51.79 9.50 3 3 -6 121.69 12.90 3 3 -6 142.79 13.90 -3 -3 6 136.29 12.70 -3 -3 6 139.89 13.10 2 3 -6 23.20 5.00 2 3 -6 14.50 4.80 2 3 -6 14.20 5.80 -2 -3 6 16.00 4.80 -2 -3 6 16.50 4.80 1 3 -6 16.10 4.60 1 3 -6 8.50 5.00 1 3 -6 16.90 4.00 -1 -3 6 15.40 4.10 -1 -3 6 15.80 4.10 -1 -3 6 12.00 5.70 0 3 -6 86.49 7.30 0 3 -6 90.59 9.60 0 -3 6 82.19 10.10 0 -3 6 92.59 7.80 0 -3 6 93.49 7.30 -1 3 -6 1068.19 53.99 1 -3 6 1128.59 57.59 1 -3 6 1142.49 54.69 2 -3 6 277.27 16.40 2 -3 6 235.78 14.80 -3 3 -6 2.20 2.80 3 -3 6 6.90 3.40 3 -3 6 4.70 2.80 -4 3 -6 47.70 7.70 4 -3 6 47.40 7.60 -5 3 -6 30.20 6.60 5 -3 6 20.50 6.40 -6 3 -6 19.40 6.40 6 -3 6 17.40 6.10 -7 3 -6 33.40 9.00 7 -3 6 28.70 8.70 -8 3 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20.50 6.90 3 -8 10 21.90 9.50 4 -8 10 16.50 6.60 4 -8 10 22.40 6.30 4 -8 10 19.10 8.50 5 -8 10 14.90 7.40 5 -8 10 8.60 5.60 5 -8 10 4.00 4.90 6 -8 10 5.50 5.30 6 -8 10 5.60 5.40 6 -8 10 -12.30 5.20 7 -8 10 -8.70 5.60 7 -8 10 2.10 6.80 7 -8 10 -5.50 5.20 8 -8 10 -6.70 5.70 8 -8 10 0.30 7.10 8 -8 10 -5.50 6.80 9 7 -10 11.20 13.00 8 7 -10 8.00 9.60 7 7 -10 2.40 9.50 6 7 -10 -11.50 6.00 6 7 -10 -2.30 6.60 -6 -7 10 1.30 5.50 5 7 -10 44.80 12.10 5 7 -10 55.99 13.10 -5 -7 10 48.10 12.10 -5 -7 10 44.90 11.20 4 7 -10 17.20 8.40 4 7 -10 28.70 10.80 4 7 -10 24.30 7.60 -4 -7 10 27.60 10.10 -4 -7 10 27.10 8.70 3 7 -10 269.37 19.60 3 7 -10 220.98 23.50 -3 -7 10 220.98 19.90 -3 -7 10 245.48 20.60 2 7 -10 105.29 11.00 2 7 -10 91.19 16.30 -2 -7 10 103.49 12.10 -2 -7 10 92.79 13.50 1 7 -10 8.40 4.40 1 7 -10 16.30 8.20 -1 -7 10 13.50 5.60 -1 -7 10 23.80 6.40 0 7 -10 2.80 2.80 0 -7 10 2.10 2.90 0 -7 10 -5.40 2.90 -1 7 -10 0.00 2.50 1 -7 10 0.60 3.20 1 -7 10 3.50 5.60 1 -7 10 0.60 2.80 2 -7 10 17.90 5.70 2 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10 63.89 7.80 0 -6 10 36.50 10.30 -1 6 -10 0.10 3.00 1 -6 10 -0.10 3.00 1 -6 10 0.70 2.60 1 -6 10 2.10 4.80 2 -6 10 183.48 14.40 2 -6 10 183.78 15.10 2 -6 10 193.18 19.00 3 -6 10 0.60 3.10 3 -6 10 0.20 4.20 3 -6 10 2.10 3.60 4 -6 10 -0.30 4.60 4 -6 10 2.30 3.40 4 -6 10 0.60 3.50 5 -6 10 23.20 6.10 5 -6 10 14.70 6.10 6 -6 10 82.49 12.50 6 -6 10 80.29 13.80 7 -6 10 10.70 6.30 7 -6 10 2.00 5.60 -8 6 -10 86.19 27.30 8 -6 10 62.49 13.10 8 -6 10 68.29 13.40 -9 6 -10 11.30 11.80 9 -6 10 32.40 12.50 9 -6 10 21.10 7.90 10 5 -10 17.10 11.10 9 5 -10 -3.80 8.40 8 5 -10 20.00 11.10 7 5 -10 9.70 6.70 7 5 -10 3.50 7.20 6 5 -10 7.40 7.70 6 5 -10 23.00 10.10 6 5 -10 15.00 7.00 -6 -5 10 1.60 6.60 -6 -5 10 10.60 6.80 5 5 -10 19.80 6.70 5 5 -10 15.30 7.40 5 5 -10 9.70 7.40 -5 -5 10 9.40 6.20 -5 -5 10 9.80 6.10 4 5 -10 364.96 25.10 4 5 -10 318.17 28.00 4 5 -10 383.96 27.70 -4 -5 10 361.06 26.10 -4 -5 10 335.87 25.90 3 5 -10 182.88 15.20 3 5 -10 196.18 19.40 3 5 -10 178.48 16.80 -3 -5 10 163.58 15.90 -3 -5 10 190.58 16.70 2 5 -10 168.88 17.60 2 5 -10 178.88 15.50 2 5 -10 178.18 14.50 -2 -5 10 197.48 15.50 1 5 -10 14.80 6.70 -1 -5 10 15.20 7.40 -1 -5 10 -0.50 3.00 -1 -5 10 9.90 4.20 0 5 -10 39.60 7.10 0 -5 10 40.10 7.50 0 -5 10 46.60 6.90 0 -5 10 45.90 11.20 -1 5 -10 88.99 8.90 1 -5 10 115.99 14.10 1 -5 10 99.99 8.60 1 -5 10 84.69 9.50 -2 5 -10 242.78 16.30 2 -5 10 245.28 20.50 2 -5 10 230.18 16.90 2 -5 10 202.18 14.60 3 -5 10 382.16 24.40 3 -5 10 355.66 21.70 4 -5 10 57.69 7.50 4 -5 10 65.29 10.10 5 -5 10 113.69 13.30 5 -5 10 109.79 11.50 -6 5 -10 81.39 11.70 6 -5 10 73.69 12.70 6 -5 10 82.99 12.60 -7 5 -10 1.00 5.80 7 -5 10 0.00 4.20 7 -5 10 -0.50 5.40 -8 5 -10 7.80 8.00 8 -5 10 19.10 7.70 8 -5 10 9.70 7.20 -9 5 -10 23.00 10.60 9 -5 10 21.60 9.60 9 -5 10 27.50 9.20 10 4 -10 39.10 22.40 9 4 -10 15.60 9.80 8 4 -10 49.30 13.00 7 4 -10 44.60 12.70 6 4 -10 9.40 7.60 6 4 -10 -13.50 4.80 6 4 -10 -6.00 4.40 -6 -4 10 -2.20 4.50 -6 -4 10 5.20 5.50 5 4 -10 1.40 5.00 5 4 -10 11.90 5.40 5 4 -10 2.40 5.40 -5 -4 10 1.10 4.30 -5 -4 10 3.50 5.90 4 4 -10 72.59 11.40 4 4 -10 61.09 12.50 4 4 -10 73.79 12.40 -4 -4 10 89.69 13.30 -4 -4 10 94.39 13.80 3 4 -10 145.49 13.00 3 4 -10 119.79 14.60 3 4 -10 141.39 16.20 -3 -4 10 141.39 13.50 -3 -4 10 125.79 13.40 2 4 -10 1089.29 57.19 2 4 -10 1160.28 58.09 2 4 -10 1076.49 61.49 -2 -4 10 1095.99 58.49 -2 -4 10 1134.99 57.79 1 4 -10 338.47 21.90 1 4 -10 362.66 25.70 1 4 -10 337.07 21.60 -1 -4 10 372.16 21.70 -1 -4 10 369.86 23.10 -1 -4 10 375.46 27.40 0 4 -10 267.57 17.70 0 -4 10 279.17 16.60 0 -4 10 269.27 22.00 0 -4 10 288.97 18.80 -1 4 -10 51.19 13.00 1 -4 10 74.29 8.00 1 -4 10 63.29 5.90 1 -4 10 67.29 11.40 -2 4 -10 853.21 42.60 2 -4 10 718.83 39.20 2 -4 10 844.52 43.50 3 -4 10 594.94 32.50 3 -4 10 505.05 28.50 -4 4 -10 117.09 10.40 4 -4 10 101.39 11.20 4 -4 10 101.99 9.70 -5 4 -10 23.60 6.00 5 -4 10 11.80 5.00 5 -4 10 25.50 6.90 -6 4 -10 271.47 19.70 6 -4 10 259.17 21.30 6 -4 10 239.98 20.20 -7 4 -10 263.37 20.90 7 -4 10 268.77 22.50 7 -4 10 232.38 24.80 -8 4 -10 11.30 7.30 8 -4 10 11.90 6.70 8 -4 10 7.90 5.70 -9 4 -10 20.40 8.30 9 -4 10 10.00 8.40 9 -4 10 1.90 5.30 10 -4 10 18.90 7.90 10 -4 10 -8.90 8.60 10 3 -10 23.50 11.90 9 3 -10 -4.20 6.60 8 3 -10 3.90 7.80 7 3 -10 26.40 9.20 7 3 -10 20.60 9.10 -7 -3 10 1.80 8.40 6 3 -10 29.80 15.80 6 3 -10 47.60 11.20 -6 -3 10 36.20 11.90 5 3 -10 23.40 8.00 5 3 -10 10.10 5.50 5 3 -10 17.60 7.60 -5 -3 10 10.40 6.10 -5 -3 10 37.90 9.60 4 3 -10 -2.30 3.50 4 3 -10 -8.30 3.30 4 3 -10 2.90 4.20 -4 -3 10 1.00 4.50 -4 -3 10 -2.90 3.80 3 3 -10 66.39 9.80 3 3 -10 59.29 9.70 3 3 -10 59.29 10.70 -3 -3 10 54.89 11.50 -3 -3 10 53.29 9.00 2 3 -10 395.86 26.30 2 3 -10 375.26 23.60 -2 -3 10 405.36 24.00 -2 -3 10 388.96 24.90 1 3 -10 73.59 7.30 1 3 -10 72.09 11.00 1 3 -10 74.69 7.80 -1 -3 10 72.09 7.30 -1 -3 10 68.19 11.10 -1 -3 10 67.09 8.00 0 3 -10 63.29 7.00 0 -3 10 61.59 10.10 0 -3 10 63.89 5.60 0 -3 10 61.29 7.50 -1 3 -10 499.85 27.80 1 -3 10 496.85 24.30 1 -3 10 509.75 28.40 -2 3 -10 26.60 5.30 2 -3 10 35.10 6.40 2 -3 10 19.50 2.90 -3 3 -10 353.56 19.10 3 -3 10 358.16 22.10 3 -3 10 310.37 18.70 -4 3 -10 57.29 6.90 4 -3 10 57.89 9.20 4 -3 10 63.99 7.20 -5 3 -10 7.90 4.00 5 -3 10 4.40 4.10 5 -3 10 4.70 4.20 -6 3 -10 57.49 9.90 6 -3 10 53.99 10.30 -7 3 -10 197.98 17.20 7 -3 10 169.98 17.60 -8 3 -10 26.80 8.60 8 -3 10 35.50 10.20 -9 3 -10 -5.80 5.90 9 -3 10 1.10 7.10 10 -3 10 27.70 11.40 10 2 -10 -10.20 6.30 9 2 -10 50.99 13.70 8 2 -10 216.38 24.50 7 2 -10 -2.10 5.20 7 2 -10 10.50 7.50 -7 -2 10 3.30 5.80 6 2 -10 397.96 29.70 6 2 -10 434.76 31.10 -6 -2 10 369.06 28.70 5 2 -10 53.79 11.00 5 2 -10 49.30 10.20 5 2 -10 45.30 10.00 -5 -2 10 52.09 11.30 -5 -2 10 37.80 9.10 4 2 -10 45.70 11.40 4 2 -10 44.50 8.70 4 2 -10 65.79 10.90 -4 -2 10 47.10 9.90 -4 -2 10 53.39 9.90 3 2 -10 97.49 11.30 3 2 -10 114.59 11.30 3 2 -10 82.59 9.70 -3 -2 10 94.99 19.80 -3 -2 10 95.89 11.00 2 2 -10 27.80 6.00 2 2 -10 27.80 6.60 2 2 -10 32.00 5.80 -2 -2 10 26.20 5.30 -2 -2 10 27.30 6.10 -2 -2 10 23.10 6.90 1 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5.50 7 -8 14 8.20 8.60 9 7 -14 -7.40 8.50 8 7 -14 -6.80 7.90 7 7 -14 79.89 18.10 -7 -7 14 90.99 17.00 6 7 -14 27.40 10.40 -6 -7 14 20.30 14.40 5 7 -14 17.30 9.70 5 7 -14 34.90 9.10 -5 -7 14 -0.30 6.90 -5 -7 14 22.50 10.10 4 7 -14 3.90 4.80 4 7 -14 6.40 6.90 4 7 -14 3.40 7.70 -4 -7 14 8.60 7.40 -4 -7 14 13.60 6.10 3 7 -14 63.09 10.50 3 7 -14 71.79 14.40 -3 -7 14 44.30 10.50 -3 -7 14 66.39 11.60 2 7 -14 47.30 8.60 2 7 -14 45.60 11.20 -2 -7 14 43.70 9.70 -2 -7 14 41.70 8.60 1 7 -14 276.77 19.60 -1 -7 14 275.67 19.80 -1 -7 14 223.98 20.70 0 7 -14 61.29 9.20 0 -7 14 51.99 14.10 0 -7 14 63.69 11.20 0 -7 14 62.59 10.80 -1 7 -14 -1.20 3.90 1 -7 14 4.90 3.40 1 -7 14 5.70 4.20 1 -7 14 0.20 6.20 -2 7 -14 1.40 3.70 2 -7 14 -5.30 4.40 2 -7 14 -0.90 2.40 2 -7 14 -4.60 3.00 2 -7 14 0.20 3.30 3 -7 14 58.29 14.20 3 -7 14 90.99 9.10 3 -7 14 79.39 12.50 4 -7 14 822.02 49.70 4 -7 14 774.22 53.69 4 -7 14 882.11 45.30 5 -7 14 55.39 9.30 5 -7 14 48.60 12.50 5 -7 14 47.60 10.30 6 -7 14 23.10 7.10 7 -7 14 6.70 5.50 7 -7 14 14.80 6.70 8 -7 14 -9.30 6.40 8 -7 14 14.30 7.50 9 6 -14 -6.50 8.40 8 6 -14 36.70 12.60 7 6 -14 -1.70 7.10 -7 -6 14 -9.70 5.00 6 6 -14 -1.60 8.10 -6 -6 14 -5.90 6.00 5 6 -14 -3.50 5.20 5 6 -14 16.30 8.10 5 6 -14 4.00 5.90 -5 -6 14 11.50 7.60 -5 -6 14 18.90 8.00 4 6 -14 32.20 7.90 4 6 -14 30.20 9.30 4 6 -14 11.80 7.70 -4 -6 14 6.30 6.50 -4 -6 14 16.10 6.60 3 6 -14 115.79 13.20 3 6 -14 154.28 18.10 3 6 -14 137.49 14.90 -3 -6 14 111.79 13.40 -3 -6 14 122.39 14.50 2 6 -14 -1.50 3.10 2 6 -14 8.70 6.00 -2 -6 14 3.40 4.20 -2 -6 14 5.60 4.40 1 6 -14 120.69 12.00 -1 -6 14 108.19 12.40 -1 -6 14 99.99 18.10 -1 -6 14 127.79 18.30 0 6 -14 38.30 7.40 0 -6 14 36.50 6.20 0 -6 14 27.10 7.00 0 -6 14 16.50 8.70 -1 6 -14 81.79 9.00 1 -6 14 89.19 12.10 1 -6 14 48.80 6.20 1 -6 14 71.89 14.20 -2 6 -14 17.70 5.50 2 -6 14 35.90 7.80 2 -6 14 26.40 5.00 2 -6 14 31.40 9.50 2 -6 14 27.80 4.70 3 -6 14 4.60 2.90 3 -6 14 -4.40 4.00 3 -6 14 6.50 4.70 4 -6 14 189.08 13.80 4 -6 14 169.18 16.60 5 -6 14 8.80 5.40 5 -6 14 1.40 3.70 6 -6 14 46.80 10.60 6 -6 14 57.19 9.70 7 -6 14 2.60 5.50 7 -6 14 3.70 5.10 8 -6 14 60.69 11.90 8 -6 14 56.99 12.40 9 -6 14 16.80 9.70 9 -6 14 10.20 14.60 9 5 -14 76.29 19.20 8 5 -14 6.20 9.60 7 5 -14 -12.40 5.60 -7 -5 14 -6.00 4.80 6 5 -14 42.50 12.50 6 5 -14 47.30 12.30 6 5 -14 52.89 10.90 -6 -5 14 34.50 10.30 -6 -5 14 44.20 11.70 5 5 -14 28.20 7.70 5 5 -14 23.90 8.90 -5 -5 14 19.90 8.90 -5 -5 14 14.80 13.70 4 5 -14 9.30 4.60 4 5 -14 7.20 6.00 4 5 -14 18.30 7.20 -4 -5 14 30.20 9.00 -4 -5 14 18.00 7.30 3 5 -14 142.49 14.40 3 5 -14 155.88 17.40 3 5 -14 114.99 12.80 -3 -5 14 148.09 14.30 -3 -5 14 130.49 14.60 2 5 -14 805.22 49.80 2 5 -14 803.62 45.00 2 5 -14 770.12 44.50 -2 -5 14 891.41 45.20 -2 -5 14 752.32 46.30 1 5 -14 18.30 5.40 -1 -5 14 16.80 5.80 -1 -5 14 22.60 8.90 -1 -5 14 25.10 5.80 0 5 -14 48.20 8.00 0 -5 14 56.59 6.30 0 -5 14 34.60 7.60 0 -5 14 53.39 11.90 -1 5 -14 55.19 8.50 1 -5 14 70.89 13.10 1 -5 14 58.29 9.40 1 -5 14 40.80 4.80 -2 5 -14 72.49 10.40 2 -5 14 66.99 5.90 2 -5 14 96.29 15.10 2 -5 14 74.89 5.70 2 -5 14 80.29 9.70 3 -5 14 26.50 7.30 3 -5 14 27.60 4.10 4 -5 14 119.29 13.30 4 -5 14 143.19 10.70 5 -5 14 177.38 17.50 5 -5 14 196.58 15.10 6 -5 14 -1.30 8.30 -7 5 -14 15.50 6.70 7 -5 14 11.20 6.70 7 -5 14 23.90 8.60 -8 5 -14 36.00 9.00 8 -5 14 54.89 10.80 8 -5 14 31.60 10.00 -9 5 -14 110.09 15.80 9 -5 14 82.59 15.60 9 -5 14 100.09 17.80 10 4 -14 13.80 12.30 9 4 -14 210.98 25.20 8 4 -14 15.40 9.30 8 4 -14 10.80 8.70 7 4 -14 391.56 33.30 7 4 -14 350.06 31.20 6 4 -14 51.89 11.90 6 4 -14 52.29 12.70 6 4 -14 65.89 12.60 -6 -4 14 50.79 13.10 -6 -4 14 60.29 12.40 5 4 -14 60.29 12.30 5 4 -14 37.80 9.50 5 4 -14 60.59 13.20 -5 -4 14 24.40 8.10 -5 -4 14 47.80 11.90 4 4 -14 85.49 13.10 4 4 -14 84.59 13.50 4 4 -14 73.89 13.60 -4 -4 14 81.79 13.90 -4 -4 14 89.19 13.20 3 4 -14 121.29 12.80 3 4 -14 131.09 15.50 3 4 -14 137.69 13.20 -3 -4 14 150.18 15.00 -3 -4 14 112.19 12.50 2 4 -14 53.39 8.90 2 4 -14 78.99 13.20 2 4 -14 70.89 10.20 -2 -4 14 69.59 11.30 -2 -4 14 54.59 12.20 -2 -4 14 73.19 10.20 1 4 -14 162.08 13.80 1 4 -14 165.88 12.90 -1 -4 14 173.88 18.00 -1 -4 14 168.58 15.10 -1 -4 14 179.68 13.10 0 4 -14 162.08 14.00 0 -4 14 190.58 12.00 0 -4 14 206.58 15.90 0 -4 14 179.68 17.80 -1 4 -14 21.00 5.40 1 -4 14 18.30 2.60 1 -4 14 9.90 4.50 -2 4 -14 42.10 7.50 2 -4 14 55.29 9.10 3 -4 14 62.49 9.70 3 -4 14 49.60 4.30 4 -4 14 7.60 3.10 4 -4 14 16.90 6.20 -5 4 -14 101.89 9.50 5 -4 14 72.09 12.00 5 -4 14 87.39 9.50 -6 4 -14 54.49 9.30 6 -4 14 55.49 11.10 6 -4 14 66.89 10.00 -7 4 -14 6.30 5.60 7 -4 14 2.70 4.80 7 -4 14 4.90 5.30 -8 4 -14 45.30 10.20 8 -4 14 58.59 11.10 8 -4 14 34.80 10.00 -9 4 -14 36.80 10.40 9 -4 14 24.50 8.90 9 -4 14 17.20 9.90 10 3 -14 -12.70 7.10 9 3 -14 82.59 16.70 9 3 -14 50.79 16.00 8 3 -14 28.00 10.40 8 3 -14 11.10 9.20 7 3 -14 21.80 10.10 7 3 -14 7.40 5.40 6 3 -14 31.50 9.40 6 3 -14 29.60 9.10 6 3 -14 21.60 9.50 -6 -3 14 39.50 11.40 -6 -3 14 39.10 10.30 5 3 -14 39.50 10.30 5 3 -14 41.00 10.20 5 3 -14 55.99 11.00 -5 -3 14 57.59 11.90 -5 -3 14 55.99 10.80 4 3 -14 -0.70 4.40 4 3 -14 3.40 5.30 4 3 -14 -0.60 3.50 -4 -3 14 -2.60 3.20 -4 -3 14 0.10 4.00 3 3 -14 296.77 21.10 3 3 -14 268.07 22.40 3 3 -14 274.07 20.30 -3 -3 14 277.47 20.30 -3 -3 14 301.77 22.30 2 3 -14 92.19 10.20 2 3 -14 90.99 9.60 -2 -3 14 95.19 13.10 -2 -3 14 92.29 9.70 1 3 -14 64.49 8.10 -1 -3 14 70.69 12.40 -1 -3 14 62.49 7.20 -1 -3 14 81.09 11.20 0 3 -14 181.98 11.00 0 3 -14 169.58 13.80 0 -3 14 169.58 18.90 0 -3 14 151.18 14.20 0 -3 14 197.38 11.10 -1 3 -14 100.99 9.90 1 -3 14 114.89 21.70 -2 3 -14 228.58 16.90 2 -3 14 252.97 17.80 3 -3 14 18.80 5.60 3 -3 14 13.40 2.30 -4 3 -14 1.00 2.50 4 -3 14 0.20 2.80 4 -3 14 2.20 2.40 -5 3 -14 40.90 6.70 5 -3 14 46.20 9.10 5 -3 14 33.20 6.40 -6 3 -14 138.89 12.50 6 -3 14 102.09 11.80 6 -3 14 132.49 14.30 -7 3 -14 78.99 11.50 7 -3 14 36.10 9.50 7 -3 14 49.70 11.20 -8 3 -14 14.30 7.00 8 -3 14 -2.90 4.80 8 -3 14 6.50 5.80 -9 3 -14 22.60 8.30 9 -3 14 -8.90 6.10 9 -3 14 5.60 5.70 10 -3 14 14.70 10.60 10 -3 14 3.00 6.90 10 2 -14 13.40 8.70 10 2 -14 9.80 9.00 9 2 -14 -14.90 6.70 9 2 -14 1.00 7.20 8 2 -14 32.60 11.30 8 2 -14 29.00 10.50 7 2 -14 16.20 9.00 7 2 -14 5.10 5.80 6 2 -14 11.10 7.80 6 2 -14 9.80 6.60 6 2 -14 9.40 6.30 -6 -2 14 7.90 7.70 -6 -2 14 24.50 9.20 5 2 -14 2.20 3.10 5 2 -14 13.00 6.60 5 2 -14 3.90 4.90 -5 -2 14 3.90 5.20 -5 -2 14 7.10 5.60 4 2 -14 6.50 3.90 4 2 -14 4.90 5.00 4 2 -14 2.30 4.00 -4 -2 14 18.90 6.50 -4 -2 14 -1.60 3.60 3 2 -14 75.69 10.90 3 2 -14 62.59 10.60 3 2 -14 74.39 10.80 -3 -2 14 86.39 10.80 -3 -2 14 86.79 10.00 2 2 -14 675.93 36.60 2 2 -14 649.74 37.50 -2 -2 14 719.93 37.10 -2 -2 14 650.83 38.50 -2 -2 14 648.24 40.00 1 2 -14 343.67 20.40 1 2 -14 363.16 22.70 -1 -2 14 370.76 20.90 -1 -2 14 380.26 25.20 -1 -2 14 352.96 23.20 0 2 -14 110.39 7.50 0 2 -14 111.69 10.40 0 -2 14 126.99 11.10 0 -2 14 110.59 7.70 -1 2 -14 569.94 32.30 1 -2 14 584.84 32.70 -2 2 -14 141.19 12.20 2 -2 14 158.38 12.70 -3 2 -14 253.17 13.70 3 -2 14 240.48 17.80 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1 -5 -27 174.08 14.20 -1 5 27 193.68 15.50 0 -5 -27 366.66 22.50 0 -5 -27 323.87 29.50 0 5 27 313.77 22.00 1 5 27 290.87 20.70 2 5 27 37.90 7.60 -3 -5 -27 32.20 10.60 3 5 27 32.80 7.60 4 5 27 9.40 5.20 5 5 27 9.70 5.30 6 5 27 9.30 5.90 7 5 27 2.00 6.60 7 -6 -27 11.80 10.30 6 -6 -27 32.60 12.30 6 -6 -27 4.80 7.40 5 -6 -27 47.10 10.10 5 -6 -27 41.50 14.00 4 -6 -27 137.79 23.70 4 -6 -27 151.88 15.90 3 -6 -27 48.80 14.90 3 -6 -27 42.50 8.40 -3 6 27 54.79 9.30 2 -6 -27 8.50 9.00 2 -6 -27 5.90 3.90 1 -6 -27 39.60 19.20 1 -6 -27 30.60 5.30 -1 6 27 12.70 5.50 0 -6 -27 8.60 9.50 0 6 27 18.50 5.60 1 6 27 93.99 11.20 2 6 27 47.50 8.10 3 6 27 70.39 10.20 4 6 27 21.00 6.70 5 6 27 11.30 7.20 6 6 27 2.70 11.80 7 -7 -27 33.20 15.60 6 -7 -27 13.80 7.40 6 -7 -27 27.80 11.70 5 -7 -27 -5.00 8.30 5 -7 -27 1.40 6.80 4 -7 -27 81.99 19.60 4 -7 -27 74.99 11.10 3 -7 -27 15.70 11.10 3 -7 -27 27.10 5.40 2 -7 -27 5.10 2.70 2 -7 -27 7.90 8.60 -2 7 27 4.60 3.70 1 -7 -27 80.39 17.50 -1 7 27 74.69 8.10 0 -7 -27 19.60 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-0.10 3.90 -1 -7 28 13.50 8.10 -1 -7 28 1.60 9.90 0 -7 28 81.99 16.00 0 -7 28 129.59 23.20 1 -7 28 7.60 7.60 1 -7 28 2.70 9.70 2 -7 28 10.90 9.10 2 -7 28 -3.10 4.80 3 -7 28 -8.30 5.90 3 -7 28 -3.80 7.00 4 -7 28 7.60 8.80 4 -7 28 16.30 8.70 5 -7 28 16.60 8.70 7 6 -28 -13.80 6.40 -7 -6 28 -11.50 8.40 6 6 -28 -2.10 7.90 -6 -6 28 -0.70 5.80 5 6 -28 18.10 8.40 -5 -6 28 -8.10 7.10 4 6 -28 22.80 8.10 -4 -6 28 15.30 8.50 -4 -6 28 29.40 11.10 3 6 -28 39.00 9.60 -3 -6 28 45.60 12.60 -3 -6 28 51.89 17.00 -3 -6 28 55.59 11.10 2 6 -28 1.80 4.90 -2 -6 28 -2.10 4.20 -2 -6 28 2.00 7.90 -2 -6 28 -6.30 5.00 -1 -6 28 3.90 3.50 -1 -6 28 -2.20 6.30 -1 -6 28 14.10 8.90 0 -6 28 213.28 25.80 0 -6 28 155.88 19.70 1 -6 28 2.30 6.30 1 -6 28 12.00 10.30 2 -6 28 5.50 6.50 2 -6 28 0.20 6.50 3 -6 28 -13.40 5.00 4 -6 28 -6.90 4.60 5 -6 28 9.60 7.20 6 -6 28 48.50 21.00 8 5 -28 25.40 12.30 -8 -5 28 13.80 11.80 7 5 -28 -7.00 7.80 -7 -5 28 -6.30 8.30 6 5 -28 20.90 9.90 -6 -5 28 22.10 10.00 5 5 -28 -2.70 6.10 -5 -5 28 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-4 28 4.40 5.20 0 -4 28 9.20 7.30 1 -4 28 135.89 16.20 2 -4 28 17.60 7.50 3 -4 28 8.30 5.50 4 -4 28 16.70 7.40 5 -4 28 27.30 9.40 6 -4 28 56.49 12.60 7 -4 28 -3.60 10.90 8 3 -28 -0.40 10.30 -8 -3 28 -11.50 7.30 7 3 -28 15.10 10.50 -7 -3 28 11.10 9.20 6 3 -28 50.39 12.70 -6 -3 28 49.99 13.70 5 3 -28 -7.00 6.90 -5 -3 28 25.10 9.40 -5 -3 28 0.50 6.50 4 3 -28 7.50 7.00 -4 -3 28 -6.30 5.90 -4 -3 28 1.80 5.00 3 3 -28 58.79 11.30 -3 -3 28 55.79 13.70 -3 -3 28 70.69 12.40 -3 -3 28 68.69 16.40 2 3 -28 304.67 25.60 2 3 -28 342.17 30.00 -2 -3 28 341.47 24.50 -2 -3 28 400.36 29.80 -2 -3 28 322.57 30.30 1 3 -28 -3.20 3.00 1 3 -28 -1.40 4.50 -1 -3 28 -3.20 4.70 -1 -3 28 -1.30 3.00 0 3 -28 115.89 13.30 0 3 -28 99.49 7.90 0 -3 28 92.19 15.30 -1 3 -28 82.29 13.00 1 -3 28 66.19 12.50 2 -3 28 106.49 15.80 3 -3 28 273.57 23.90 4 -3 28 110.99 16.50 5 -3 28 15.90 7.30 6 -3 28 20.40 8.80 9 2 -28 41.10 15.20 8 2 -28 21.90 10.90 -8 -2 28 8.00 10.40 7 2 -28 8.40 8.80 -7 -2 28 0.90 8.30 6 2 -28 76.19 16.00 -6 -2 28 70.79 16.10 5 2 -28 223.58 21.80 -5 -2 28 239.18 23.50 -5 -2 28 212.08 24.10 4 2 -28 4.00 5.70 -4 -2 28 8.00 7.80 -4 -2 28 8.60 7.00 -4 -2 28 10.20 8.30 3 2 -28 58.89 11.20 3 2 -28 53.89 10.50 -3 -2 28 53.29 12.50 -3 -2 28 27.30 9.00 -3 -2 28 43.40 11.80 2 2 -28 80.09 13.40 2 2 -28 121.39 12.60 -2 -2 28 126.09 19.30 -2 -2 28 113.29 17.20 -2 -2 28 152.38 14.70 1 2 -28 3.70 3.90 1 2 -28 0.20 4.80 -1 -2 28 3.50 5.70 0 2 -28 48.00 9.60 0 2 -28 53.79 6.50 0 -2 28 47.20 10.70 -1 2 -28 135.69 9.00 -1 2 -28 164.18 16.10 1 -2 28 162.08 16.70 -2 2 -28 98.99 14.60 2 -2 28 99.09 15.00 3 -2 28 19.00 7.80 4 -2 28 70.39 12.70 5 -2 28 -5.70 5.20 -6 2 -28 18.80 3.90 6 -2 28 34.40 9.30 -7 2 -28 7.20 4.40 7 -2 28 -6.80 4.80 8 -2 28 15.30 9.50 9 1 -28 -13.00 9.30 8 1 -28 -12.10 8.60 -8 -1 28 8.10 9.50 7 1 -28 -5.40 7.40 -7 -1 28 -5.10 6.60 6 1 -28 58.49 14.10 -6 -1 28 75.39 16.30 5 1 -28 99.59 17.30 -5 -1 28 106.79 19.00 -5 -1 28 98.09 16.80 4 1 -28 6.60 7.60 4 1 -28 1.80 5.80 -4 -1 28 2.10 6.50 -4 -1 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30 21.10 9.40 5 -3 -30 2.30 7.70 -5 3 30 7.00 6.70 4 -3 -30 98.69 14.60 -4 3 30 76.49 11.70 -4 3 30 81.89 14.40 3 -3 -30 7.10 7.80 3 -3 -30 -2.60 4.50 -3 3 30 1.90 6.40 2 -3 -30 462.55 34.10 2 -3 -30 462.35 30.50 -2 3 30 413.56 30.50 1 -3 -30 25.40 10.10 1 -3 -30 26.00 7.20 -1 3 30 31.20 8.10 0 -3 -30 3.50 4.70 0 -3 -30 6.20 6.90 0 3 30 4.10 5.20 -1 -3 -30 45.90 11.00 -1 -3 -30 38.70 8.10 1 3 30 36.50 8.60 -2 -3 -30 23.60 8.90 2 3 30 21.60 8.10 -3 -3 -30 13.70 7.70 3 3 30 27.10 7.30 -4 -3 -30 110.09 15.90 4 3 30 101.19 14.50 -5 -3 -30 16.60 7.90 5 3 30 9.30 6.90 -6 -3 -30 11.10 7.80 6 3 30 -2.70 4.80 7 3 30 -0.90 6.30 8 -4 -30 11.50 10.90 7 -4 -30 -9.20 7.60 -6 4 30 0.10 6.10 5 -4 -30 28.20 7.10 5 -4 -30 9.90 8.60 -5 4 30 23.10 8.70 4 -4 -30 115.19 16.00 4 -4 -30 106.79 19.20 -4 4 30 117.99 16.90 -4 4 30 111.39 11.80 3 -4 -30 191.78 25.00 3 -4 -30 189.28 17.40 -3 4 30 192.58 18.90 2 -4 -30 11.20 5.70 2 -4 -30 16.10 9.60 -2 4 30 10.90 6.40 1 -4 -30 242.58 18.80 1 -4 -30 261.57 25.00 -1 4 30 225.88 19.80 0 -4 -30 4.40 5.10 0 -4 -30 15.90 9.50 0 4 30 22.40 7.00 -1 -4 -30 6.20 7.80 -1 -4 -30 7.30 5.20 1 4 30 -2.70 3.90 2 4 30 7.40 5.30 -3 -4 -30 -6.80 7.00 3 4 30 12.40 5.60 -4 -4 -30 -4.60 7.10 4 4 30 -4.30 4.40 5 4 30 47.70 10.50 6 4 30 8.60 7.40 7 4 30 20.40 7.80 7 -5 -30 -6.60 9.90 6 -5 -30 5.40 9.90 5 -5 -30 -1.90 8.50 5 -5 -30 16.20 8.10 -5 5 30 1.90 5.90 4 -5 -30 6.90 6.70 4 -5 -30 59.79 16.50 -4 5 30 12.00 6.60 -4 5 30 5.80 4.10 3 -5 -30 222.48 19.00 3 -5 -30 178.48 23.00 -3 5 30 196.28 18.40 2 -5 -30 16.30 12.30 2 -5 -30 33.50 8.60 -2 5 30 43.50 9.60 1 -5 -30 26.20 10.80 1 -5 -30 19.10 6.20 -1 5 30 40.60 8.60 0 -5 -30 15.70 6.10 0 -5 -30 29.40 10.80 0 5 30 27.30 7.00 -1 -5 -30 17.70 10.30 1 5 30 19.90 6.30 2 5 30 34.00 7.90 3 5 30 61.99 10.90 4 5 30 -3.80 4.80 5 5 30 31.80 9.70 6 5 30 -0.70 7.50 7 -6 -30 30.00 14.30 6 -6 -30 -2.40 9.40 5 -6 -30 18.70 7.40 5 -6 -30 9.70 11.80 4 -6 -30 -14.20 6.30 4 -6 -30 -3.60 5.80 -4 6 30 4.00 5.20 3 -6 -30 9.00 10.20 3 -6 -30 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41 10.20 10.50 3 1 -41 12.30 7.80 -3 -1 41 12.30 11.50 -3 -1 41 19.40 10.60 2 1 -41 -9.40 4.90 -2 -1 41 0.00 7.20 -2 -1 41 3.70 7.60 1 1 -41 -6.20 5.10 -1 -1 41 4.90 8.10 0 1 -41 17.00 6.40 0 -1 41 6.20 7.10 -1 1 -41 -8.90 3.60 1 -1 41 -4.60 6.80 2 -1 41 -10.80 6.30 3 -1 41 1.60 6.20 5 0 -41 39.90 12.50 -5 0 41 34.80 20.90 -5 0 41 27.00 12.10 4 0 -41 -5.20 7.40 -4 0 41 19.60 10.50 -4 0 41 2.30 9.20 3 0 -41 -0.80 8.70 -3 0 41 -9.30 6.50 -3 0 41 -4.20 7.50 2 0 -41 -2.60 5.90 -2 0 41 -4.60 6.80 -2 0 41 -7.30 6.90 1 0 -41 1.50 5.80 -1 0 41 4.70 8.60 0 0 -41 -4.80 5.20 0 0 41 -0.60 6.50 -1 0 -41 1.40 5.20 1 0 41 -1.20 6.30 -2 0 -41 -17.00 6.50 -2 0 -41 -5.70 7.80 2 0 41 8.40 8.00 -3 0 -41 62.09 8.70 -3 0 -41 54.29 8.00 3 0 41 57.89 13.10 5 -1 -41 90.09 18.30 -5 1 41 78.39 16.00 -5 1 41 113.69 20.40 4 -1 -41 15.00 9.80 -4 1 41 18.00 11.50 -4 1 41 14.30 10.00 3 -1 -41 32.60 11.10 -3 1 41 28.80 10.20 -3 1 41 14.30 10.00 2 -1 -41 12.10 7.50 -2 1 41 -0.60 7.60 1 -1 -41 1.20 7.10 -1 1 41 -3.60 7.10 0 -1 -41 9.20 6.60 0 1 41 10.30 7.20 1 1 41 -3.90 6.50 -2 -1 -41 -10.10 7.60 -2 -1 -41 7.60 6.60 2 1 41 -8.50 5.30 -3 -1 -41 -0.60 6.70 -3 -1 -41 23.50 8.90 3 1 41 9.10 8.10 4 -2 -41 3.60 9.70 -4 2 41 -3.00 8.40 -4 2 41 -13.90 6.90 3 -2 -41 16.00 9.90 -3 2 41 15.40 11.20 -3 2 41 18.10 9.20 2 -2 -41 2.10 8.40 -2 2 41 -1.20 6.90 1 -2 -41 6.60 8.00 -1 2 41 1.10 7.00 0 -2 -41 13.40 9.00 0 2 41 -6.40 6.90 -1 -2 -41 10.20 8.70 1 2 41 15.20 9.50 -2 -2 -41 -5.80 7.20 2 2 41 -3.40 6.50 -3 -2 -41 4.90 11.50 -3 -2 -41 -6.70 7.80 3 2 41 10.30 8.50 4 -3 -41 -10.30 8.90 -4 3 41 22.00 10.20 -4 3 41 4.10 8.30 3 -3 -41 43.30 14.40 -3 3 41 42.10 13.10 2 -3 -41 -2.70 8.30 -2 3 41 -5.50 8.10 1 -3 -41 0.40 8.40 -1 3 41 5.90 8.00 0 -3 -41 2.60 12.20 0 3 41 -3.20 7.20 -1 -3 -41 10.70 9.40 1 3 41 14.20 8.90 -2 -3 -41 21.40 9.30 2 3 41 19.50 10.10 3 -4 -41 -16.80 8.90 -3 4 41 -3.40 8.10 2 -4 -41 -2.40 8.10 -2 4 41 22.00 9.50 1 -4 -41 23.90 12.70 -1 4 41 43.40 11.60 0 -4 -41 -12.40 9.20 0 4 41 7.10 7.30 -1 -4 -41 28.60 12.20 1 4 41 20.30 9.60 -2 -4 -41 14.80 9.80 2 4 41 2.20 9.00 2 -5 -41 14.20 13.10 -2 5 41 17.60 9.00 1 -5 -41 117.19 20.70 -1 5 41 92.79 15.90 0 -5 -41 12.80 12.90 0 5 41 14.70 9.80 2 4 -42 -7.10 4.70 -2 -4 42 8.60 10.80 -2 -4 42 4.50 10.00 1 4 -42 -1.90 4.00 -1 -4 42 4.20 12.40 -1 -4 42 11.50 11.20 0 -4 42 53.49 13.50 0 -4 42 31.40 28.90 1 -4 42 8.70 10.60 1 -4 42 -18.40 8.30 3 3 -42 14.60 8.60 -3 -3 42 16.40 11.30 -3 -3 42 -10.60 11.00 2 3 -42 37.70 9.00 -2 -3 42 2.60 19.90 -2 -3 42 35.30 15.90 1 3 -42 11.30 4.90 -1 -3 42 8.90 11.90 -1 -3 42 -13.00 13.60 0 -3 42 -9.60 8.50 0 -3 42 -20.20 29.20 1 -3 42 26.50 11.60 2 -3 42 93.09 17.30 4 2 -42 27.40 10.80 -4 -2 42 8.50 11.10 -4 -2 42 14.10 12.20 3 2 -42 -7.90 6.60 -3 -2 42 -4.90 7.20 -3 -2 42 -13.00 9.30 2 2 -42 7.70 6.00 -2 -2 42 12.20 8.70 -2 -2 42 9.20 9.70 1 2 -42 -0.40 5.10 -1 -2 42 -9.70 7.00 -1 -2 42 12.60 8.40 0 2 -42 4.70 4.20 0 -2 42 14.90 8.40 1 -2 42 31.80 12.70 2 -2 42 47.60 24.30 4 1 -42 15.40 9.30 -4 -1 42 21.50 21.10 -4 -1 42 -6.40 11.10 3 1 -42 -2.50 7.20 -3 -1 42 -23.10 7.40 -3 -1 42 -4.90 8.90 2 1 -42 -2.60 6.00 -2 -1 42 17.70 10.60 -2 -1 42 8.20 8.00 1 1 -42 5.90 6.70 -1 -1 42 20.90 9.60 0 1 -42 8.90 6.40 0 -1 42 14.50 7.80 -1 1 -42 11.30 6.30 -1 1 -42 19.40 5.30 1 -1 42 6.20 8.00 2 -1 42 -7.60 7.20 4 0 -42 230.68 24.60 -4 0 42 245.28 27.90 3 0 -42 -15.30 6.50 -3 0 42 0.30 7.80 -3 0 42 -1.90 8.70 2 0 -42 -0.70 6.60 -2 0 42 -1.00 8.10 -2 0 42 22.50 10.90 1 0 -42 -8.30 5.20 -1 0 42 -2.00 7.30 0 0 -42 59.79 11.00 0 0 42 64.69 14.50 -1 0 -42 -5.80 4.80 1 0 42 -3.70 7.20 -2 0 -42 100.99 19.50 -2 0 -42 84.99 15.40 2 0 42 110.39 17.70 3 0 42 -8.30 8.30 4 -1 -42 -2.00 8.60 -4 1 42 10.90 16.30 -4 1 42 -8.50 9.10 3 -1 -42 -3.50 7.20 -3 1 42 -4.80 9.30 2 -1 -42 -3.20 6.00 -2 1 42 -6.10 7.20 1 -1 -42 6.30 7.10 -1 1 42 7.50 7.90 0 -1 -42 -1.60 7.20 0 1 42 3.50 8.10 -1 -1 -42 26.30 9.50 1 1 42 21.60 10.20 -2 -1 -42 0.10 6.60 -2 -1 -42 2.40 8.20 2 1 42 0.30 7.10 4 -2 -42 21.20 11.80 -4 2 42 32.80 12.40 -4 2 42 46.00 12.10 3 -2 -42 -18.80 8.10 -3 2 42 -2.20 7.70 -3 2 42 3.70 7.20 2 -2 -42 -10.60 7.40 -2 2 42 -13.00 8.00 1 -2 -42 -8.10 8.30 -1 2 42 -1.10 6.90 0 -2 -42 10.40 8.50 0 2 42 3.80 8.80 -1 -2 -42 31.40 10.70 1 2 42 34.80 11.70 -2 -2 -42 60.59 15.80 -2 -2 -42 34.00 10.80 2 2 42 31.70 11.10 3 -3 -42 -2.60 9.70 -3 3 42 -3.60 9.30 2 -3 -42 15.20 11.50 -2 3 42 40.30 12.00 1 -3 -42 19.30 10.50 -1 3 42 21.80 10.70 0 -3 -42 -0.50 8.70 0 3 42 21.30 10.00 -1 -3 -42 1.70 17.30 1 3 42 12.70 9.40 -2 -3 -42 143.89 24.30 2 3 42 116.29 19.20 2 -4 -42 4.10 9.10 -2 4 42 -4.40 8.10 1 -4 -42 -3.80 10.10 -1 4 42 2.70 8.50 0 -4 -42 73.79 17.50 0 4 42 104.79 16.80 1 4 42 -2.90 8.70 2 3 -43 21.40 7.10 -2 -3 43 9.50 9.20 -2 -3 43 4.10 11.20 1 3 -43 -0.80 4.50 -1 -3 43 11.00 10.90 -1 -3 43 23.90 10.50 0 -3 43 16.70 9.30 0 -3 43 -4.90 17.50 3 2 -43 3.20 7.40 -3 -2 43 8.50 10.20 -3 -2 43 20.10 12.20 2 2 -43 13.80 7.40 -2 -2 43 1.00 8.90 1 2 -43 5.00 5.90 -1 -2 43 7.00 9.40 -1 -2 43 -8.50 9.10 0 2 -43 4.90 3.90 1 -2 43 4.40 16.30 3 1 -43 25.10 9.70 -3 -1 43 -1.20 10.20 -3 -1 43 7.90 9.40 2 1 -43 4.00 6.60 -2 -1 43 2.00 9.00 -2 -1 43 -7.10 7.30 1 1 -43 -1.70 6.90 -1 -1 43 -3.50 6.90 0 1 -43 1.50 5.20 0 -1 43 -8.30 6.40 -1 1 -43 7.80 4.40 -1 1 -43 7.50 5.90 2 -1 43 -18.40 13.90 3 0 -43 63.39 12.90 -3 0 43 89.39 16.80 -3 0 43 64.59 16.20 2 0 -43 5.60 7.30 -2 0 43 -5.30 6.20 -2 0 43 9.40 10.00 1 0 -43 2.40 6.80 -1 0 43 -11.40 6.60 0 0 -43 -5.10 6.20 0 0 43 -13.20 7.30 -1 0 -43 29.50 7.60 1 0 43 65.59 14.20 -2 0 -43 -11.40 7.90 -2 0 -43 -4.20 15.50 2 0 43 6.80 8.10 3 -1 -43 11.60 10.20 -3 1 43 21.70 10.00 -3 1 43 23.20 11.40 2 -1 -43 -5.50 14.80 -2 1 43 -13.50 7.30 1 -1 -43 -3.80 6.10 -1 1 43 -8.30 7.20 0 -1 -43 1.00 6.50 0 1 43 4.40 8.90 -1 -1 -43 8.30 7.40 1 1 43 0.80 8.30 -2 -1 -43 14.70 9.60 -2 -1 -43 3.90 6.60 2 1 43 0.10 7.50 3 -2 -43 23.40 10.50 -3 2 43 32.10 12.80 -3 2 43 40.40 12.50 2 -2 -43 -4.50 8.20 -2 2 43 3.60 8.00 1 -2 -43 -10.30 7.20 -1 2 43 8.00 8.50 0 -2 -43 2.20 8.20 0 2 43 25.00 11.40 -1 -2 -43 -16.50 7.10 2 -3 -43 18.50 12.40 -2 3 43 6.30 10.20 1 -3 -43 -10.90 8.30 -1 3 43 -10.70 7.30 0 -3 -43 10.50 9.00 0 3 43 -6.70 8.40 1 2 -44 1.20 5.60 -1 -2 44 -1.50 7.10 -1 -2 44 -8.80 8.20 0 2 -44 -0.80 3.90 0 -2 44 13.00 7.90 2 1 -44 14.00 7.80 -2 -1 44 2.70 11.60 1 1 -44 7.90 6.50 -1 -1 44 12.50 10.60 0 1 -44 2.10 6.00 0 -1 44 1.30 15.40 2 0 -44 21.90 10.00 -2 0 44 24.20 13.40 -2 0 44 25.00 12.80 1 0 -44 7.70 7.50 -1 0 44 -4.70 7.20 0 0 -44 34.10 8.60 0 0 44 25.90 10.50 -1 0 -44 -1.00 5.00 1 0 44 -2.50 6.80 2 -1 -44 -15.60 7.70 -2 1 44 10.90 9.30 1 -1 -44 9.30 7.50 -1 1 44 17.40 10.10 0 -1 -44 14.80 8.90 0 1 44 14.00 10.80 1 -2 -44 7.60 9.90 -1 2 44 -11.20 6.90 0 -2 -44 -4.50 9.10 0 2 44 -6.60 7.60 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 600 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group N4 N 0.2741(2) 0.58883(19) 0.50648(5) 0.0267(5) Uani 1 1 d . . . . . N3 N 0.5232(2) 0.76151(19) 0.50888(5) 0.0266(5) Uani 1 1 d . . . . . N2 N 0.5686(2) 0.66921(19) 0.44970(5) 0.0263(5) Uani 1 1 d . . . . . N1 N 0.5775(3) 0.3007(2) 0.22620(5) 0.0375(6) Uani 1 1 d . . . . . N6 N 0.4805(3) 0.9033(2) 0.59243(6) 0.0378(6) Uani 1 1 d . . . . . N5 N 0.1195(3) 0.6696(2) 0.58761(6) 0.0428(6) Uani 1 1 d . . . . . C5 C 0.4919(3) 0.6810(2) 0.48123(6) 0.0249(5) Uani 1 1 d . . . . . C6 C 0.3700(3) 0.5941(2) 0.47957(6) 0.0245(5) Uani 1 1 d . . . . . C7 C 0.3751(3) 0.5252(2) 0.44522(6) 0.0243(5) Uani 1 1 d . . . . . C2 C 0.3045(3) 0.6704(2) 0.53479(6) 0.0267(6) Uani 1 1 d . . . . . C13 C 0.7042(3) 0.7348(2) 0.44254(6) 0.0260(5) Uani 1 1 d . . . . . C10 C 0.4507(3) 0.4372(2) 0.37534(6) 0.0271(6) Uani 1 1 d . . . . . C12 C 0.2904(3) 0.4290(2) 0.42788(6) 0.0276(6) Uani 1 1 d . . . . . H12 H 0.206756 0.394769 0.439310 0.033 Uiso 1 1 calc R U . . . C3 C 0.4250(3) 0.7535(2) 0.53608(6) 0.0271(6) Uani 1 1 d . . . . . C9 C 0.5345(3) 0.5333(2) 0.39248(6) 0.0278(6) Uani 1 1 d . . . . . H9 H 0.615744 0.569534 0.380558 0.033 Uiso 1 1 calc R U . . . C8 C 0.4975(3) 0.5754(2) 0.42730(6) 0.0258(5) Uani 1 1 d . . . . . C11 C 0.3305(3) 0.3847(2) 0.39396(6) 0.0284(6) Uani 1 1 d . . . . . H11 H 0.275907 0.316659 0.382566 0.034 Uiso 1 1 calc R U . . . C16 C 0.9672(3) 0.8672(2) 0.43099(6) 0.0278(6) Uani 1 1 d . . . . . C15 C 0.8333(3) 0.8942(2) 0.41039(7) 0.0337(6) Uani 1 1 d . . . . . H15 H 0.831259 0.958910 0.392116 0.040 Uiso 1 1 calc R U . . . C4 C 0.4546(3) 0.8376(2) 0.56756(7) 0.0299(6) Uani 1 1 d . . . . . C23 C 0.4845(3) 0.3921(2) 0.33739(6) 0.0291(6) Uani 1 1 d . . . . . C1 C 0.2019(3) 0.6699(2) 0.56449(7) 0.0311(6) Uani 1 1 d . . . . . C14 C 0.7021(3) 0.8288(2) 0.41589(7) 0.0331(6) Uani 1 1 d . . . . . H14 H 0.611642 0.848494 0.401437 0.040 Uiso 1 1 calc R U . . . C26 C 0.5448(3) 0.3261(3) 0.26362(6) 0.0333(6) Uani 1 1 d . . . . . C29 C 0.5343(3) 0.1902(3) 0.20690(7) 0.0349(6) Uani 1 1 d . . . . . C24 C 0.6243(3) 0.4175(2) 0.32357(6) 0.0313(6) Uani 1 1 d . . . . . H24 H 0.700103 0.457746 0.339275 0.038 Uiso 1 1 calc R U . . . C18 C 0.8360(3) 0.7048(3) 0.46294(7) 0.0371(7) Uani 1 1 d . . . . . H18 H 0.838062 0.639234 0.480942 0.044 Uiso 1 1 calc R U . . . C34 C 0.4985(3) 0.0808(3) 0.22558(7) 0.0359(7) Uani 1 1 d . . . . . H34 H 0.495648 0.081713 0.252116 0.043 Uiso 1 1 calc R U . . . C27 C 0.4062(3) 0.2984(3) 0.27728(7) 0.0366(7) Uani 1 1 d . . . . . H27 H 0.330797 0.257388 0.261624 0.044 Uiso 1 1 calc R U . . . C19 C 1.1126(3) 0.9399(2) 0.42655(7) 0.0319(6) Uani 1 1 d . . . . . C25 C 0.6530(3) 0.3847(2) 0.28741(7) 0.0338(6) Uani 1 1 d . . . . . H25 H 0.748645 0.402494 0.278634 0.041 Uiso 1 1 calc R U . . . C31 C 0.5041(3) 0.0767(3) 0.14847(7) 0.0393(7) Uani 1 1 d . . . . . H31 H 0.505761 0.075584 0.121909 0.047 Uiso 1 1 calc R U . . . C30 C 0.5339(3) 0.1866(3) 0.16768(7) 0.0378(7) Uani 1 1 d . . . . . H30 H 0.554389 0.260649 0.154231 0.045 Uiso 1 1 calc R U . . . C28 C 0.3786(3) 0.3307(3) 0.31375(6) 0.0345(6) Uani 1 1 d . . . . . H28 H 0.284238 0.310162 0.322809 0.041 Uiso 1 1 calc R U . . . C40 C 0.8189(3) 0.3577(3) 0.20079(7) 0.0372(7) Uani 1 1 d . . . . . C35 C 0.6698(3) 0.3910(3) 0.20837(7) 0.0383(7) Uani 1 1 d . . . . . C39 C 0.9068(3) 0.4495(3) 0.18257(7) 0.0373(7) Uani 1 1 d . . . . . C41 C 0.8837(3) 0.2425(3) 0.21073(7) 0.0380(7) Uani 1 1 d . . . . . H41 H 0.826661 0.181624 0.222876 0.046 Uiso 1 1 calc R U . . . C33 C 0.4670(3) -0.0287(3) 0.20606(7) 0.0398(7) Uani 1 1 d . . . . . H33 H 0.441961 -0.102129 0.219237 0.048 Uiso 1 1 calc R U . . . C32 C 0.4718(3) -0.0322(3) 0.16722(7) 0.0428(7) Uani 1 1 d . . . . . H32 H 0.453207 -0.108077 0.153812 0.051 Uiso 1 1 calc R U . . . C17 C 0.9652(3) 0.7706(3) 0.45703(7) 0.0401(7) Uani 1 1 d . . . . . H17 H 1.055757 0.749245 0.471221 0.048 Uiso 1 1 calc R U . . . C38 C 0.8422(4) 0.5690(3) 0.17425(7) 0.0430(7) Uani 1 1 d . . . . . H38 H 0.899656 0.630208 0.162367 0.052 Uiso 1 1 calc R U . . . C36 C 0.6115(4) 0.5066(3) 0.20019(7) 0.0429(7) Uani 1 1 d . . . . . H36 H 0.512054 0.526320 0.205986 0.051 Uiso 1 1 calc R U . . . C37 C 0.7007(4) 0.5978(3) 0.18286(7) 0.0458(8) Uani 1 1 d . . . . . H37 H 0.660899 0.678750 0.177358 0.055 Uiso 1 1 calc R U . . . C44 C 1.0542(4) 0.4190(3) 0.17521(7) 0.0475(8) Uani 1 1 d . . . . . H44 H 1.113287 0.478840 0.163241 0.057 Uiso 1 1 calc R U . . . C42 C 1.0304(3) 0.2156(3) 0.20310(8) 0.0464(8) Uani 1 1 d . . . . . H42 H 1.073782 0.137081 0.210139 0.056 Uiso 1 1 calc R U . . . C43 C 1.1148(4) 0.3055(3) 0.18485(8) 0.0477(8) Uani 1 1 d . . . . . H43 H 1.214711 0.286718 0.179217 0.057 Uiso 1 1 calc R U . . . C21 C 1.0970(4) 1.0365(3) 0.39484(10) 0.0565(9) Uani 1 1 d . . . . . H21A H 1.064253 0.994523 0.371250 0.085 Uiso 1 1 calc R U . . . H21B H 1.194141 1.077080 0.392296 0.085 Uiso 1 1 calc R U . . . H21C H 1.022553 1.099620 0.400676 0.085 Uiso 1 1 calc R U . . . C22 C 1.2352(3) 0.8488(3) 0.41610(10) 0.0553(9) Uani 1 1 d . . . . . H22A H 1.250745 0.785129 0.435743 0.083 Uiso 1 1 calc R U . . . H22B H 1.329039 0.894774 0.413699 0.083 Uiso 1 1 calc R U . . . H22C H 1.204363 0.808231 0.392164 0.083 Uiso 1 1 calc R U . . . C20 C 1.1606(5) 1.0052(5) 0.46335(10) 0.0977(17) Uani 1 1 d . . . . . H20A H 1.081428 1.062857 0.469968 0.147 Uiso 1 1 calc R U . . . H20B H 1.253478 1.052084 0.460548 0.147 Uiso 1 1 calc R U . . . H20C H 1.177973 0.942544 0.483247 0.147 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 N4 0.0255(12) 0.0338(12) 0.0215(10) 0.0046(9) 0.0065(8) 0.0021(9) N3 0.0257(12) 0.0325(12) 0.0221(10) 0.0028(9) 0.0058(8) 0.0014(9) N2 0.0220(11) 0.0354(12) 0.0222(10) 0.0000(9) 0.0065(8) -0.0003(9) N1 0.0414(14) 0.0518(15) 0.0209(10) -0.0040(10) 0.0120(9) -0.0069(12) N6 0.0415(15) 0.0438(14) 0.0290(11) -0.0038(11) 0.0083(10) -0.0016(11) N5 0.0436(15) 0.0538(16) 0.0330(12) 0.0001(11) 0.0160(11) 0.0000(12) C5 0.0239(14) 0.0309(14) 0.0201(11) 0.0030(10) 0.0037(10) 0.0034(11) C6 0.0234(13) 0.0302(13) 0.0201(11) 0.0051(10) 0.0032(9) 0.0043(11) C7 0.0227(13) 0.0303(13) 0.0203(11) 0.0028(10) 0.0033(9) 0.0037(11) C2 0.0256(14) 0.0351(14) 0.0200(11) 0.0014(10) 0.0050(10) 0.0048(11) C13 0.0229(14) 0.0334(14) 0.0226(11) -0.0013(10) 0.0087(10) -0.0019(11) C10 0.0239(14) 0.0342(14) 0.0230(11) 0.0016(10) 0.0015(10) 0.0053(11) C12 0.0234(14) 0.0370(15) 0.0227(12) 0.0048(10) 0.0041(10) 0.0031(11) C3 0.0291(14) 0.0327(14) 0.0198(11) 0.0031(10) 0.0034(10) 0.0032(11) C9 0.0240(14) 0.0375(15) 0.0224(12) 0.0039(10) 0.0064(10) 0.0030(11) C8 0.0250(14) 0.0320(14) 0.0205(11) 0.0022(10) 0.0030(10) 0.0021(11) C11 0.0258(14) 0.0358(14) 0.0236(12) -0.0013(10) 0.0020(10) 0.0006(11) C16 0.0251(14) 0.0342(14) 0.0250(12) -0.0011(10) 0.0076(10) -0.0010(11) C15 0.0274(15) 0.0385(15) 0.0362(14) 0.0097(12) 0.0084(11) 0.0012(12) C4 0.0299(15) 0.0355(15) 0.0252(12) 0.0042(11) 0.0082(11) -0.0003(12) C23 0.0273(14) 0.0392(15) 0.0211(12) 0.0019(11) 0.0048(10) 0.0051(12) C1 0.0317(15) 0.0371(15) 0.0250(12) 0.0014(11) 0.0052(11) 0.0005(12) C14 0.0250(15) 0.0408(16) 0.0338(13) 0.0092(12) 0.0046(11) 0.0032(12) C26 0.0342(16) 0.0476(17) 0.0189(11) 0.0003(11) 0.0072(11) 0.0024(13) C29 0.0276(15) 0.0544(18) 0.0231(12) -0.0037(12) 0.0053(10) 0.0002(13) C24 0.0290(15) 0.0403(15) 0.0247(12) -0.0008(11) 0.0038(10) 0.0000(12) C18 0.0300(16) 0.0482(17) 0.0332(14) 0.0159(12) 0.0034(11) -0.0029(13) C34 0.0293(15) 0.0547(18) 0.0242(12) -0.0047(12) 0.0055(11) -0.0029(13) C27 0.0305(16) 0.0554(18) 0.0240(12) -0.0072(12) 0.0031(11) -0.0018(13) C19 0.0238(14) 0.0396(16) 0.0332(13) 0.0020(11) 0.0076(11) -0.0049(12) C25 0.0326(16) 0.0434(16) 0.0267(13) 0.0009(12) 0.0103(11) 0.0008(13) C31 0.0309(16) 0.064(2) 0.0231(13) -0.0061(13) 0.0022(11) -0.0026(14) C30 0.0322(16) 0.0580(19) 0.0236(12) -0.0008(12) 0.0056(11) 0.0005(14) C28 0.0281(15) 0.0517(17) 0.0242(12) -0.0030(12) 0.0058(11) 0.0009(13) C40 0.0443(18) 0.0444(17) 0.0234(12) -0.0048(12) 0.0062(12) 0.0002(14) C35 0.0422(18) 0.0499(18) 0.0236(13) -0.0082(12) 0.0082(12) -0.0044(14) C39 0.0433(18) 0.0468(17) 0.0223(12) -0.0049(12) 0.0066(11) -0.0069(14) C41 0.0412(18) 0.0445(17) 0.0290(13) -0.0043(12) 0.0073(12) -0.0024(14) C33 0.0303(16) 0.0576(19) 0.0316(14) -0.0012(13) 0.0030(11) -0.0065(14) C32 0.0308(16) 0.063(2) 0.0347(14) -0.0112(14) 0.0025(12) -0.0089(14) C17 0.0240(15) 0.0595(19) 0.0364(15) 0.0140(13) -0.0013(11) -0.0044(14) C38 0.054(2) 0.0538(19) 0.0220(13) -0.0031(12) 0.0066(12) -0.0076(15) C36 0.056(2) 0.0437(18) 0.0290(14) -0.0011(12) 0.0052(13) 0.0026(15) C37 0.057(2) 0.0468(18) 0.0336(15) -0.0050(13) 0.0030(14) -0.0001(15) C44 0.050(2) 0.063(2) 0.0298(14) -0.0052(14) 0.0074(13) -0.0071(16) C42 0.045(2) 0.0522(19) 0.0416(16) -0.0049(14) 0.0025(14) 0.0052(15) C43 0.0388(18) 0.066(2) 0.0394(16) -0.0082(15) 0.0085(13) 0.0023(16) C21 0.0344(18) 0.0441(19) 0.092(2) 0.0217(17) 0.0130(17) -0.0046(15) C22 0.0300(17) 0.052(2) 0.086(2) 0.0220(17) 0.0195(16) 0.0032(15) C20 0.080(3) 0.157(4) 0.060(2) -0.044(3) 0.032(2) -0.079(3) 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' 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 C6 N4 C2 114.1(2) . . ? C5 N3 C3 112.4(2) . . ? C5 N2 C8 107.58(19) . . ? C5 N2 C13 125.5(2) . . ? C8 N2 C13 126.74(18) . . ? C29 N1 C26 123.8(2) . . ? C29 N1 C35 119.28(19) . . ? C26 N1 C35 116.8(2) . . ? N3 C5 N2 125.7(2) . . ? N3 C5 C6 124.9(2) . . ? N2 C5 C6 109.4(2) . . ? N4 C6 C5 121.6(2) . . ? N4 C6 C7 131.1(2) . . ? C5 C6 C7 107.29(19) . . ? C12 C7 C8 119.4(2) . . ? C12 C7 C6 135.1(2) . . ? C8 C7 C6 105.5(2) . . ? N4 C2 C3 123.4(2) . . ? N4 C2 C1 116.3(2) . . ? C3 C2 C1 120.3(2) . . ? C18 C13 C14 120.1(2) . . ? C18 C13 N2 119.4(2) . . ? C14 C13 N2 120.5(2) . . ? C9 C10 C11 119.2(2) . . ? C9 C10 C23 120.2(2) . . ? C11 C10 C23 120.6(2) . . ? C11 C12 C7 118.6(2) . . ? C11 C12 H12 120.7 . . ? C7 C12 H12 120.7 . . ? N3 C3 C2 123.6(2) . . ? N3 C3 C4 115.2(2) . . ? C2 C3 C4 121.2(2) . . ? C8 C9 C10 118.7(2) . . ? C8 C9 H9 120.6 . . ? C10 C9 H9 120.6 . . ? C9 C8 N2 128.0(2) . . ? C9 C8 C7 121.8(2) . . ? N2 C8 C7 110.24(19) . . ? C12 C11 C10 122.2(2) . . ? C12 C11 H11 118.9 . . ? C10 C11 H11 118.9 . . ? C15 C16 C17 117.2(2) . . ? C15 C16 C19 122.9(2) . . ? C17 C16 C19 119.9(2) . . ? C16 C15 C14 121.5(2) . . ? C16 C15 H15 119.2 . . ? C14 C15 H15 119.2 . . ? N6 C4 C3 178.8(3) . . ? C28 C23 C24 117.6(2) . . ? C28 C23 C10 122.2(2) . . ? C24 C23 C10 120.2(2) . . ? N5 C1 C2 179.1(3) . . ? C13 C14 C15 119.6(2) . . ? C13 C14 H14 120.2 . . ? C15 C14 H14 120.2 . . ? C25 C26 C27 118.5(2) . . ? C25 C26 N1 118.8(2) . . ? C27 C26 N1 122.6(2) . . ? C34 C29 C30 118.1(3) . . ? C34 C29 N1 122.2(2) . . ? C30 C29 N1 119.6(2) . . ? C25 C24 C23 120.7(2) . . ? C25 C24 H24 119.6 . . ? C23 C24 H24 119.6 . . ? C13 C18 C17 119.5(2) . . ? C13 C18 H18 120.3 . . ? C17 C18 H18 120.3 . . ? C33 C34 C29 120.9(2) . . ? C33 C34 H34 119.5 . . ? C29 C34 H34 119.5 . . ? C28 C27 C26 119.9(2) . . ? C28 C27 H27 120.1 . . ? C26 C27 H27 120.1 . . ? C20 C19 C21 109.6(3) . . ? C20 C19 C22 109.9(3) . . ? C21 C19 C22 106.0(2) . . ? C20 C19 C16 109.3(2) . . ? C21 C19 C16 112.7(2) . . ? C22 C19 C16 109.2(2) . . ? C24 C25 C26 121.3(2) . . ? C24 C25 H25 119.4 . . ? C26 C25 H25 119.4 . . ? C30 C31 C32 121.1(2) . . ? C30 C31 H31 119.5 . . ? C32 C31 H31 119.5 . . ? C31 C30 C29 120.5(3) . . ? C31 C30 H30 119.7 . . ? C29 C30 H30 119.7 . . ? C23 C28 C27 122.0(2) . . ? C23 C28 H28 119.0 . . ? C27 C28 H28 119.0 . . ? C41 C40 C35 123.3(3) . . ? C41 C40 C39 119.1(3) . . ? C35 C40 C39 117.6(3) . . ? C36 C35 C40 122.3(3) . . ? C36 C35 N1 118.6(3) . . ? C40 C35 N1 119.2(3) . . ? C44 C39 C38 122.8(3) . . ? C44 C39 C40 118.5(3) . . ? C38 C39 C40 118.6(3) . . ? C42 C41 C40 120.8(3) . . ? C42 C41 H41 119.6 . . ? C40 C41 H41 119.6 . . ? C34 C33 C32 120.4(3) . . ? C34 C33 H33 119.8 . . ? C32 C33 H33 119.8 . . ? C31 C32 C33 118.8(3) . . ? C31 C32 H32 120.6 . . ? C33 C32 H32 120.6 . . ? C18 C17 C16 122.1(2) . . ? C18 C17 H17 118.9 . . ? C16 C17 H17 118.9 . . ? C37 C38 C39 121.7(3) . . ? C37 C38 H38 119.1 . . ? C39 C38 H38 119.1 . . ? C35 C36 C37 119.7(3) . . ? C35 C36 H36 120.2 . . ? C37 C36 H36 120.2 . . ? C38 C37 C36 120.1(3) . . ? C38 C37 H37 120.0 . . ? C36 C37 H37 120.0 . . ? C43 C44 C39 121.4(3) . . ? C43 C44 H44 119.3 . . ? C39 C44 H44 119.3 . . ? C41 C42 C43 119.6(3) . . ? C41 C42 H42 120.2 . . ? C43 C42 H42 120.2 . . ? C44 C43 C42 120.5(3) . . ? C44 C43 H43 119.7 . . ? C42 C43 H43 119.7 . . ? C19 C21 H21A 109.5 . . ? C19 C21 H21B 109.5 . . ? H21A C21 H21B 109.5 . . ? C19 C21 H21C 109.5 . . ? H21A C21 H21C 109.5 . . ? H21B C21 H21C 109.5 . . ? C19 C22 H22A 109.5 . . ? C19 C22 H22B 109.5 . . ? H22A C22 H22B 109.5 . . ? C19 C22 H22C 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? C19 C20 H20A 109.5 . . ? C19 C20 H20B 109.5 . . ? H20A C20 H20B 109.5 . . ? C19 C20 H20C 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 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 N4 C6 1.334(3) . ? N4 C2 1.347(3) . ? N3 C5 1.324(3) . ? N3 C3 1.358(3) . ? N2 C5 1.366(3) . ? N2 C8 1.405(3) . ? N2 C13 1.437(3) . ? N1 C29 1.407(3) . ? N1 C26 1.415(3) . ? N1 C35 1.447(3) . ? N6 C4 1.143(3) . ? N5 C1 1.145(3) . ? C5 C6 1.429(3) . ? C6 C7 1.434(3) . ? C7 C12 1.395(3) . ? C7 C8 1.411(3) . ? C2 C3 1.393(3) . ? C2 C1 1.451(3) . ? C13 C18 1.376(4) . ? C13 C14 1.383(3) . ? C10 C9 1.387(3) . ? C10 C11 1.418(3) . ? C10 C23 1.490(3) . ? C12 C11 1.372(3) . ? C12 H12 0.9500 . ? C3 C4 1.448(3) . ? C9 C8 1.385(3) . ? C9 H9 0.9500 . ? C11 H11 0.9500 . ? C16 C15 1.387(4) . ? C16 C17 1.390(3) . ? C16 C19 1.531(3) . ? C15 C14 1.391(4) . ? C15 H15 0.9500 . ? C23 C28 1.386(4) . ? C23 C24 1.401(4) . ? C14 H14 0.9500 . ? C26 C25 1.388(4) . ? C26 C27 1.395(4) . ? C29 C34 1.394(4) . ? C29 C30 1.401(3) . ? C24 C25 1.380(3) . ? C24 H24 0.9500 . ? C18 C17 1.381(4) . ? C18 H18 0.9500 . ? C34 C33 1.381(4) . ? C34 H34 0.9500 . ? C27 C28 1.387(3) . ? C27 H27 0.9500 . ? C19 C20 1.522(4) . ? C19 C21 1.531(4) . ? C19 C22 1.531(4) . ? C25 H25 0.9500 . ? C31 C30 1.376(4) . ? C31 C32 1.383(4) . ? C31 H31 0.9500 . ? C30 H30 0.9500 . ? C28 H28 0.9500 . ? C40 C41 1.395(4) . ? C40 C35 1.423(4) . ? C40 C39 1.440(4) . ? C35 C36 1.363(4) . ? C39 C44 1.399(4) . ? C39 C38 1.424(4) . ? C41 C42 1.387(4) . ? C41 H41 0.9500 . ? C33 C32 1.392(4) . ? C33 H33 0.9500 . ? C32 H32 0.9500 . ? C17 H17 0.9500 . ? C38 C37 1.357(4) . ? C38 H38 0.9500 . ? C36 C37 1.428(4) . ? C36 H36 0.9500 . ? C37 H37 0.9500 . ? C44 C43 1.363(4) . ? C44 H44 0.9500 . ? C42 C43 1.409(4) . ? C42 H42 0.9500 . ? C43 H43 0.9500 . ? C21 H21A 0.9800 . ? C21 H21B 0.9800 . ? C21 H21C 0.9800 . ? C22 H22A 0.9800 . ? C22 H22B 0.9800 . ? C22 H22C 0.9800 . ? C20 H20A 0.9800 . ? C20 H20B 0.9800 . ? C20 H20C 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 C3 N3 C5 N2 178.5(2) . . . . ? C3 N3 C5 C6 -0.4(3) . . . . ? C8 N2 C5 N3 -178.8(2) . . . . ? C13 N2 C5 N3 5.6(4) . . . . ? C8 N2 C5 C6 0.2(3) . . . . ? C13 N2 C5 C6 -175.4(2) . . . . ? C2 N4 C6 C5 -0.9(3) . . . . ? C2 N4 C6 C7 -179.1(2) . . . . ? N3 C5 C6 N4 1.0(4) . . . . ? N2 C5 C6 N4 -178.0(2) . . . . ? N3 C5 C6 C7 179.7(2) . . . . ? N2 C5 C6 C7 0.7(3) . . . . ? N4 C6 C7 C12 -2.3(5) . . . . ? C5 C6 C7 C12 179.3(3) . . . . ? N4 C6 C7 C8 177.2(2) . . . . ? C5 C6 C7 C8 -1.3(3) . . . . ? C6 N4 C2 C3 0.2(3) . . . . ? C6 N4 C2 C1 179.0(2) . . . . ? C5 N2 C13 C18 70.3(3) . . . . ? C8 N2 C13 C18 -104.5(3) . . . . ? C5 N2 C13 C14 -108.6(3) . . . . ? C8 N2 C13 C14 76.6(3) . . . . ? C8 C7 C12 C11 0.9(3) . . . . ? C6 C7 C12 C11 -179.7(3) . . . . ? C5 N3 C3 C2 -0.4(3) . . . . ? C5 N3 C3 C4 178.9(2) . . . . ? N4 C2 C3 N3 0.5(4) . . . . ? C1 C2 C3 N3 -178.3(2) . . . . ? N4 C2 C3 C4 -178.7(2) . . . . ? C1 C2 C3 C4 2.5(4) . . . . ? C11 C10 C9 C8 -0.3(4) . . . . ? C23 C10 C9 C8 178.2(2) . . . . ? C10 C9 C8 N2 178.7(2) . . . . ? C10 C9 C8 C7 -1.5(4) . . . . ? C5 N2 C8 C9 178.7(2) . . . . ? C13 N2 C8 C9 -5.7(4) . . . . ? C5 N2 C8 C7 -1.1(3) . . . . ? C13 N2 C8 C7 174.5(2) . . . . ? C12 C7 C8 C9 1.2(4) . . . . ? C6 C7 C8 C9 -178.3(2) . . . . ? C12 C7 C8 N2 -179.0(2) . . . . ? C6 C7 C8 N2 1.5(3) . . . . ? C7 C12 C11 C10 -2.8(4) . . . . ? C9 C10 C11 C12 2.5(4) . . . . ? C23 C10 C11 C12 -176.0(2) . . . . ? C17 C16 C15 C14 0.9(4) . . . . ? C19 C16 C15 C14 -178.1(2) . . . . ? C9 C10 C23 C28 -157.1(2) . . . . ? C11 C10 C23 C28 21.3(4) . . . . ? C9 C10 C23 C24 19.2(4) . . . . ? C11 C10 C23 C24 -162.4(2) . . . . ? C18 C13 C14 C15 -1.3(4) . . . . ? N2 C13 C14 C15 177.6(2) . . . . ? C16 C15 C14 C13 0.2(4) . . . . ? C29 N1 C26 C25 140.8(3) . . . . ? C35 N1 C26 C25 -34.8(4) . . . . ? C29 N1 C26 C27 -41.4(4) . . . . ? C35 N1 C26 C27 143.1(3) . . . . ? C26 N1 C29 C34 -20.8(4) . . . . ? C35 N1 C29 C34 154.7(3) . . . . ? C26 N1 C29 C30 162.5(2) . . . . ? C35 N1 C29 C30 -22.0(4) . . . . ? C28 C23 C24 C25 1.4(4) . . . . ? C10 C23 C24 C25 -175.1(2) . . . . ? C14 C13 C18 C17 1.1(4) . . . . ? N2 C13 C18 C17 -177.7(2) . . . . ? C30 C29 C34 C33 1.5(4) . . . . ? N1 C29 C34 C33 -175.2(3) . . . . ? C25 C26 C27 C28 0.8(4) . . . . ? N1 C26 C27 C28 -177.1(3) . . . . ? C15 C16 C19 C20 117.1(3) . . . . ? C17 C16 C19 C20 -61.8(4) . . . . ? C15 C16 C19 C21 -5.0(4) . . . . ? C17 C16 C19 C21 176.0(3) . . . . ? C15 C16 C19 C22 -122.6(3) . . . . ? C17 C16 C19 C22 58.4(3) . . . . ? C23 C24 C25 C26 0.2(4) . . . . ? C27 C26 C25 C24 -1.3(4) . . . . ? N1 C26 C25 C24 176.6(2) . . . . ? C32 C31 C30 C29 0.9(4) . . . . ? C34 C29 C30 C31 -2.3(4) . . . . ? N1 C29 C30 C31 174.6(2) . . . . ? C24 C23 C28 C27 -2.0(4) . . . . ? C10 C23 C28 C27 174.4(2) . . . . ? C26 C27 C28 C23 0.9(4) . . . . ? C41 C40 C35 C36 176.5(2) . . . . ? C39 C40 C35 C36 -2.3(4) . . . . ? C41 C40 C35 N1 -2.0(4) . . . . ? C39 C40 C35 N1 179.2(2) . . . . ? C29 N1 C35 C36 115.9(3) . . . . ? C26 N1 C35 C36 -68.4(3) . . . . ? C29 N1 C35 C40 -65.6(3) . . . . ? C26 N1 C35 C40 110.1(3) . . . . ? C41 C40 C39 C44 0.5(4) . . . . ? C35 C40 C39 C44 179.3(2) . . . . ? C41 C40 C39 C38 -176.9(2) . . . . ? C35 C40 C39 C38 2.0(4) . . . . ? C35 C40 C41 C42 -179.1(3) . . . . ? C39 C40 C41 C42 -0.3(4) . . . . ? C29 C34 C33 C32 0.6(4) . . . . ? C30 C31 C32 C33 1.2(4) . . . . ? C34 C33 C32 C31 -1.9(4) . . . . ? C13 C18 C17 C16 0.0(4) . . . . ? C15 C16 C17 C18 -1.0(4) . . . . ? C19 C16 C17 C18 178.0(2) . . . . ? C44 C39 C38 C37 -177.6(3) . . . . ? C40 C39 C38 C37 -0.4(4) . . . . ? C40 C35 C36 C37 1.0(4) . . . . ? N1 C35 C36 C37 179.5(2) . . . . ? C39 C38 C37 C36 -1.0(4) . . . . ? C35 C36 C37 C38 0.7(4) . . . . ? C38 C39 C44 C43 177.4(2) . . . . ? C40 C39 C44 C43 0.1(4) . . . . ? C40 C41 C42 C43 -0.4(4) . . . . ? C39 C44 C43 C42 -0.9(4) . . . . ? C41 C42 C43 C44 1.1(4) . . . . ?