#------------------------------------------------------------------------------ #$Date: 2020-12-04 08:07:27 +0200 (Fri, 04 Dec 2020) $ #$Revision: 259536 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/97/1559702.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_1559702 loop_ _publ_author_name 'Dey, Sunanda' 'Maity, Suvendu' 'Purkait, Rakesh' 'Pal, Kunal' 'Ghosh, Prasanta' 'Jana, Kuladip' 'Sinha, Chittaranjan' _publ_section_title ; X-ray structure of two Schiff bases: TURN-ON sensing of Fe3+ and Al3+ in the HepG2 cell line. ; _journal_issue 45 _journal_name_full 'Analytical methods : advancing methods and applications' _journal_page_first 5485 _journal_page_last 5495 _journal_paper_doi 10.1039/d0ay01090a _journal_volume 12 _journal_year 2020 _chemical_formula_moiety 'C29 H23 N3 O' _chemical_formula_sum 'C29 H23 N3 O' _chemical_formula_weight 429.50 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2016/6 _audit_update_record ; 2019-07-31 deposited with the CCDC. 2020-10-15 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 94.383(4) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 22.180(3) _cell_length_b 5.9098(7) _cell_length_c 16.938(2) _cell_measurement_reflns_used 3486 _cell_measurement_temperature 273(2) _cell_measurement_theta_max 26.45 _cell_measurement_theta_min 2.52 _cell_volume 2213.7(5) _computing_cell_refinement 'Bruker SAINT' _computing_data_collection 'Bruker APEX2' _computing_data_reduction 'Bruker SAINT' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _computing_structure_refinement 'SHELXL-2014 (Sheldrick 2014)' _computing_structure_solution 'SHELXS-97 (Sheldrick 2008)' _diffrn_ambient_temperature 273(2) _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.999 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.1051 _diffrn_reflns_av_unetI/netI 0.0795 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.999 _diffrn_reflns_limit_h_max 26 _diffrn_reflns_limit_h_min -26 _diffrn_reflns_limit_k_max 7 _diffrn_reflns_limit_k_min -7 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_number 24841 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.999 _diffrn_reflns_theta_full 24.998 _diffrn_reflns_theta_max 24.998 _diffrn_reflns_theta_min 2.412 _diffrn_source Mo _exptl_absorpt_coefficient_mu 0.079 _exptl_absorpt_correction_type multi-scan _exptl_crystal_colour red _exptl_crystal_density_diffrn 1.289 _exptl_crystal_description needle _exptl_crystal_F_000 968 _exptl_crystal_size_max 0.39 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.06 _exptl_transmission_factor_max 0.864 _exptl_transmission_factor_min 0.792 _refine_diff_density_max 0.197 _refine_diff_density_min -0.205 _refine_diff_density_rms 0.041 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.138 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 299 _refine_ls_number_reflns 3882 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.138 _refine_ls_R_factor_all 0.1556 _refine_ls_R_factor_gt 0.0913 _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^)+(0.0368P)^2^+1.7081P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1494 _refine_ls_wR_factor_ref 0.1730 _reflns_Friedel_coverage 0.000 _reflns_number_gt 2264 _reflns_number_total 3882 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d0ay01090a2.cif _cod_data_source_block SDL_a _cod_original_sg_symbol_H-M 'P 21/c' _cod_database_code 1559702 _shelx_shelxl_version_number 2016/6 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_res_file ; TITL SDL_a.res in P2(1)/c SDL_a.res created by SHELXL-2016/6 at 14:35:32 on 05-Feb-2019 CELL 0.71073 22.1797 5.9098 16.9380 90.000 94.383 90.000 ZERR 4.000 0.0026 0.0007 0.0020 0.000 0.004 0.000 LATT 1 SYMM -X, 1/2+Y, 1/2-Z SFAC C H N O UNIT 44 44 44 44 OMIT -3 50 REM Old TITL SDL in P2(1)/c REM SHELXT solution in P2(1)/c REM R1 0.260, Rweak 0.132, Alpha 0.088, Orientation as input REM Formula found by SHELXT: C30 N2 O L.S. 10 ACTA BOND $H FMAP 2 PLAN 20 TEMP 0 WGHT 0.036800 1.708100 FVAR 0.52136 O1 4 0.722998 0.596424 0.776242 11.00000 0.04722 0.05867 = 0.07199 0.00332 -0.00910 0.00742 AFIX 147 H1 2 0.724972 0.492161 0.744601 11.00000 -1.50000 AFIX 0 N1 3 0.694816 0.358260 0.651177 11.00000 0.03026 0.04505 = 0.05137 0.00710 0.00729 0.00586 N003 3 0.791001 0.080007 0.691533 11.00000 0.04533 0.04929 = 0.05515 -0.00888 -0.01320 0.01676 AFIX 43 H003 2 0.788544 0.212570 0.711984 11.00000 -1.20000 AFIX 0 C25 1 0.842744 -0.012884 0.817678 11.00000 0.02213 0.05369 = 0.04719 -0.00018 0.00058 -0.00218 C1 1 0.648542 0.488118 0.638696 11.00000 0.03473 0.05632 = 0.04144 0.00605 0.00694 0.00013 AFIX 43 H1A 2 0.621759 0.459264 0.594900 11.00000 -1.20000 AFIX 0 C2 1 0.636100 0.676092 0.689154 11.00000 0.02834 0.04670 = 0.04454 0.00723 0.00825 -0.00127 C19 1 0.891576 -0.102177 0.691556 11.00000 0.03551 0.03762 = 0.03946 -0.00392 -0.00648 0.00435 C13 1 0.755207 0.033743 0.623123 11.00000 0.02845 0.05549 = 0.03776 -0.00094 0.00447 -0.00096 C11 1 0.584695 0.821363 0.670760 11.00000 0.03123 0.05369 = 0.04809 0.01168 0.01238 0.00199 C12 1 0.706460 0.176630 0.599704 11.00000 0.03010 0.05327 = 0.04600 0.00330 0.00428 0.00049 C3 1 0.675718 0.727073 0.754289 11.00000 0.03734 0.04771 = 0.05088 0.01355 0.00495 0.00025 C18 1 0.832087 -0.079276 0.730710 11.00000 0.03600 0.04127 = 0.05042 0.00048 -0.00288 0.00114 AFIX 13 H18 2 0.812327 -0.227703 0.728509 11.00000 -1.20000 AFIX 0 C6 1 0.578490 1.019678 0.716238 11.00000 0.04001 0.04250 = 0.05875 0.01180 0.01258 0.00325 N2 3 0.820189 0.185672 0.838891 11.00000 0.07072 0.07130 = 0.07158 -0.02435 0.00591 0.00430 C14 1 0.766124 -0.152102 0.575892 11.00000 0.03844 0.05924 = 0.04934 -0.00295 0.00414 0.00414 AFIX 43 H14 2 0.797853 -0.249466 0.591089 11.00000 -1.20000 AFIX 0 C5 1 0.621547 1.064499 0.780176 11.00000 0.05633 0.04803 = 0.06053 -0.00037 0.01521 -0.00920 AFIX 43 H5 2 0.617845 1.195955 0.809598 11.00000 -1.20000 AFIX 0 C4 1 0.667785 0.922516 0.799774 11.00000 0.05093 0.05493 = 0.05139 0.00682 0.00280 -0.00951 AFIX 43 H4 2 0.694502 0.953710 0.843428 11.00000 -1.20000 AFIX 0 C24 1 0.922895 -0.302736 0.697613 11.00000 0.05234 0.04774 = 0.06080 -0.00034 0.00829 0.00932 AFIX 43 H24 2 0.906913 -0.424112 0.724046 11.00000 -1.20000 AFIX 0 C10 1 0.539155 0.777082 0.609447 11.00000 0.04103 0.07041 = 0.05587 0.00123 0.00287 0.00978 AFIX 43 H10 2 0.541537 0.647134 0.578874 11.00000 -1.20000 AFIX 0 C20 1 0.915208 0.073232 0.651207 11.00000 0.05709 0.05293 = 0.05821 0.00025 0.00731 0.00024 AFIX 43 H20 2 0.894873 0.210844 0.647059 11.00000 -1.20000 AFIX 0 C15 1 0.730927 -0.194499 0.507243 11.00000 0.05320 0.07225 = 0.05132 -0.01598 -0.00275 0.00680 AFIX 43 H15 2 0.738745 -0.320489 0.476751 11.00000 -1.20000 AFIX 0 C7 1 0.529831 1.169455 0.697923 11.00000 0.05363 0.05187 = 0.07404 0.00820 0.01596 0.00980 AFIX 43 H7 2 0.526896 1.301930 0.727016 11.00000 -1.20000 AFIX 0 C17 1 0.672746 0.131151 0.529265 11.00000 0.05697 0.07956 = 0.05976 -0.00994 -0.01934 0.02754 AFIX 43 H17 2 0.641264 0.227970 0.512550 11.00000 -1.20000 AFIX 0 C9 1 0.491681 0.922957 0.594574 11.00000 0.04571 0.09122 = 0.06728 0.01387 -0.00324 0.02296 AFIX 43 H9 2 0.461850 0.889105 0.554736 11.00000 -1.20000 AFIX 0 C28 1 0.872155 -0.157876 0.871075 11.00000 0.06170 0.09180 = 0.04748 0.01204 0.01081 0.01938 AFIX 43 H28 2 0.887641 -0.294298 0.854180 11.00000 -1.20000 AFIX 0 C8 1 0.487379 1.122274 0.638435 11.00000 0.05180 0.06698 = 0.09172 0.01167 0.01515 0.01866 AFIX 43 H8 2 0.455488 1.221939 0.626773 11.00000 -1.20000 AFIX 0 C22 1 1.000366 -0.152466 0.624094 11.00000 0.04467 0.10411 = 0.07977 -0.03540 0.01573 -0.00665 AFIX 43 H22 2 1.036969 -0.169572 0.601390 11.00000 -1.20000 AFIX 0 C16 1 0.684482 -0.052295 0.483592 11.00000 0.06276 0.10331 = 0.06457 -0.03148 -0.02323 0.02130 AFIX 43 H16 2 0.660978 -0.079955 0.436744 11.00000 -1.20000 AFIX 0 C21 1 0.969494 0.046497 0.616397 11.00000 0.07520 0.07995 = 0.06734 -0.00380 0.02131 -0.02019 AFIX 43 H21 2 0.984793 0.164843 0.587751 11.00000 -1.20000 AFIX 0 C23 1 0.977290 -0.326705 0.665326 11.00000 0.05653 0.07668 = 0.09585 -0.02261 0.00000 0.02043 AFIX 43 H23 2 0.998562 -0.461959 0.671496 11.00000 -1.20000 AFIX 0 C30 1 0.855706 0.101601 0.972949 11.00000 0.08296 0.15883 = 0.05094 -0.02198 0.01029 -0.04979 AFIX 43 H30 2 0.859589 0.145362 1.025834 11.00000 -1.20000 AFIX 0 C29 1 0.878439 -0.098645 0.950064 11.00000 0.07151 0.14315 = 0.05642 0.02263 0.00502 0.00030 AFIX 43 H29 2 0.898028 -0.194953 0.987115 11.00000 -1.20000 AFIX 0 C27 1 0.827238 0.236764 0.917404 11.00000 0.09525 0.09492 = 0.08236 -0.04593 0.02262 -0.02524 AFIX 43 H27 2 0.811497 0.373168 0.933920 11.00000 -1.20000 AFIX 0 HKLF 4 REM SDL_a.res in P2(1)/c REM R1 = 0.0913 for 2264 Fo > 4sig(Fo) and 0.1556 for all 3882 data REM 299 parameters refined using 0 restraints END WGHT 0.0360 1.7400 REM Highest difference peak 0.197, deepest hole -0.205, 1-sigma level 0.041 Q1 1 0.7553 0.1615 0.7268 11.00000 0.05 0.20 Q2 1 0.7686 0.1761 0.8053 11.00000 0.05 0.17 Q3 1 0.4853 0.7935 0.4924 11.00000 0.05 0.15 Q4 1 0.6238 0.4705 0.7551 11.00000 0.05 0.15 Q5 1 0.7697 -0.3896 0.5874 11.00000 0.05 0.15 Q6 1 0.4047 1.1709 0.6434 11.00000 0.05 0.15 Q7 1 0.6115 1.0941 0.7217 11.00000 0.05 0.14 Q8 1 0.8382 0.4268 0.8939 11.00000 0.05 0.14 Q9 1 0.9002 0.2563 1.0598 11.00000 0.05 0.14 Q10 1 0.7616 0.3389 0.8535 11.00000 0.05 0.13 Q11 1 0.5523 0.7449 0.5586 11.00000 0.05 0.13 Q12 1 0.4205 0.8217 0.6206 11.00000 0.05 0.13 Q13 1 0.8041 -0.3349 0.6419 11.00000 0.05 0.13 Q14 1 0.9076 0.3407 1.0424 11.00000 0.05 0.13 Q15 1 0.8161 -0.1655 0.5448 11.00000 0.05 0.13 Q16 1 0.5184 0.5871 0.6132 11.00000 0.05 0.13 Q17 1 0.4330 1.1930 0.5624 11.00000 0.05 0.13 Q18 1 0.7347 -0.5113 0.5050 11.00000 0.05 0.12 Q19 1 0.6486 0.5897 0.7424 11.00000 0.05 0.12 Q20 1 0.6512 1.0178 0.7506 11.00000 0.05 0.12 ; _shelx_res_checksum 67286 _shelx_hkl_file ; 0 0 -2 4807.42 162.88 0 0 2 4671.83 163.88 0 0 3 -0.60 0.70 0 0 -3 0.40 1.10 0 0 3 1.80 1.30 0 0 3 2.80 1.60 0 0 -3 -0.80 1.20 0 0 -3 1.80 1.20 0 0 -4 1009.10 44.00 0 0 -4 1013.30 45.90 0 0 4 1036.30 42.80 0 0 4 1071.09 45.30 0 0 4 1028.20 45.90 0 0 5 5.60 3.50 0 0 5 5.00 3.20 0 0 -5 6.20 3.80 0 0 5 3.20 1.70 0 0 -5 4.10 2.40 0 0 -5 4.30 2.10 0 0 6 912.21 45.10 0 0 -6 915.61 43.90 0 0 -6 959.90 47.60 0 0 6 907.91 46.40 0 0 6 854.91 42.10 0 0 7 14.20 6.50 0 0 -7 20.80 8.00 0 0 -7 6.50 2.50 0 0 7 9.70 3.20 0 0 -7 20.20 6.40 0 0 -8 15.10 6.90 0 0 -8 14.20 5.60 0 0 8 8.10 5.90 0 0 -8 14.40 5.30 0 0 8 24.00 6.90 0 0 8 14.60 6.00 0 0 -9 2.10 2.60 0 0 9 3.50 5.00 0 0 -9 0.70 4.80 0 0 9 4.90 4.40 0 0 10 191.98 25.90 0 0 -10 189.48 19.10 0 0 10 204.68 22.40 0 0 -11 4.30 4.10 0 0 11 8.60 6.00 0 0 11 -0.20 4.70 0 0 12 36.50 12.80 0 0 -12 51.09 12.30 0 0 12 46.10 15.50 0 0 13 -0.60 7.20 0 0 13 5.80 7.60 0 0 -13 8.00 5.70 0 0 14 14.40 9.30 0 0 -14 2.50 5.50 0 0 14 -6.60 6.60 0 0 15 -0.20 11.10 0 0 -15 -8.60 5.10 0 0 15 1.10 9.00 0 0 16 11.40 10.60 0 0 -16 12.30 8.60 0 0 16 -1.10 12.00 0 0 -17 1.40 7.70 0 0 17 3.00 12.10 0 0 17 27.10 11.10 0 0 18 57.89 16.00 0 0 -18 5.70 10.20 0 0 18 23.10 15.60 0 0 19 24.90 16.90 0 0 19 27.70 14.90 0 0 20 -17.40 14.00 0 0 20 -2.10 13.20 0 0 21 43.80 21.00 0 0 21 -12.60 17.30 0 0 -21 -14.50 9.70 0 1 0 -0.80 1.00 0 1 0 0.40 1.10 0 1 0 -0.90 1.00 0 -1 0 0.30 1.50 0 -1 0 0.90 0.70 0 -1 0 -1.00 0.80 0 -1 0 0.40 1.20 0 1 1 1152.78 49.90 0 1 1 1180.28 44.80 0 1 -1 1114.09 48.60 0 1 1 1135.89 48.30 0 1 -1 1175.28 48.80 0 1 -1 1194.48 43.60 0 -1 1 1156.68 48.70 0 -1 -1 1117.39 49.20 0 -1 -1 1207.08 44.20 0 1 2 278.67 18.60 0 1 2 259.37 19.30 0 1 -2 256.67 16.70 0 1 2 273.47 12.90 0 1 -2 286.17 19.10 0 1 2 286.57 18.80 0 -1 -2 256.57 17.90 0 -1 2 282.67 18.90 0 -1 -2 256.57 18.00 0 -1 2 271.37 16.40 0 -1 -2 260.17 19.30 0 1 -3 48.50 10.90 0 1 3 42.00 9.60 0 1 3 44.70 7.60 0 1 3 41.30 4.20 0 1 -3 36.00 5.50 0 -1 -3 49.40 7.50 0 -1 3 51.99 7.60 0 -1 3 49.10 6.00 0 -1 -3 37.60 8.70 0 -1 -3 41.00 3.90 0 1 -4 2.00 2.30 0 1 4 2.80 3.80 0 1 4 7.30 2.70 0 1 -4 5.20 1.80 0 1 -4 8.30 5.00 0 1 4 6.90 4.10 0 -1 -4 10.50 4.90 0 -1 -4 4.30 2.20 0 -1 4 8.90 5.30 0 -1 4 7.70 3.40 0 -1 -4 5.50 3.60 0 1 5 130.09 15.00 0 1 5 136.99 10.90 0 1 -5 138.89 8.30 0 1 -5 137.79 12.00 0 1 -5 133.59 15.80 0 1 5 148.69 16.00 0 -1 -5 135.19 10.60 0 -1 -5 136.89 15.10 0 -1 5 164.98 11.90 0 -1 -5 143.89 15.50 0 -1 5 133.19 15.30 0 -1 5 139.79 9.30 0 1 6 63.39 10.70 0 1 6 61.39 10.90 0 1 -6 70.09 6.30 0 1 -6 54.19 7.70 0 1 6 65.19 8.00 0 1 -6 59.79 11.10 0 -1 -6 64.99 10.20 0 -1 -6 54.69 8.10 0 -1 -6 62.39 10.50 0 -1 6 58.89 10.70 0 -1 6 65.69 7.20 0 1 -7 96.79 8.70 0 1 7 96.59 13.50 0 1 7 98.59 14.90 0 1 -7 93.49 15.10 0 1 7 117.89 12.10 0 1 -7 112.89 11.40 0 -1 -7 124.59 12.10 0 -1 7 112.79 10.60 0 -1 7 102.69 15.80 0 -1 7 140.19 11.70 0 -1 -7 98.49 14.10 0 1 -8 45.80 6.70 0 1 8 54.79 12.40 0 1 8 62.09 16.40 0 1 -8 51.89 8.10 0 -1 -8 55.49 13.50 0 -1 -8 57.79 16.30 0 -1 -8 68.59 14.40 0 -1 8 48.70 14.10 0 -1 8 56.39 8.20 0 1 9 706.13 47.80 0 1 9 681.43 39.80 0 1 -9 689.53 34.60 0 1 -9 700.83 37.90 0 -1 -9 688.23 43.80 0 -1 9 700.23 37.90 0 -1 -9 710.53 41.70 0 -1 9 716.83 49.30 0 1 10 361.66 27.70 0 1 -10 369.66 23.50 0 1 10 362.46 33.50 0 1 -10 355.06 25.60 0 -1 -10 372.46 30.60 0 -1 -10 360.06 28.90 0 -1 10 378.06 35.30 0 -1 10 351.56 26.10 0 1 -11 4.50 4.20 0 -1 -11 9.30 5.30 0 -1 -11 -8.00 7.50 0 -1 11 -4.60 4.30 0 -1 11 -0.30 5.70 0 1 -12 68.99 11.40 0 1 12 60.09 14.90 0 1 12 76.49 19.10 0 -1 -12 65.09 16.60 0 -1 12 64.79 21.40 0 -1 12 73.39 11.70 0 1 -13 2.30 5.90 0 1 -13 6.30 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55.09 17.90 5 4 5 29.50 17.70 5 -4 5 42.00 11.50 5 -4 5 33.40 11.20 5 -4 5 42.10 18.80 -5 -4 -5 12.00 9.50 -5 4 -6 39.40 13.40 5 4 6 18.60 13.10 -5 -4 -6 14.40 12.10 5 -4 6 70.99 10.90 5 -4 6 40.90 11.20 5 -4 6 13.70 12.30 -5 4 -7 20.70 21.10 5 4 7 24.80 14.50 -5 -4 -7 12.30 12.70 5 -4 7 30.40 9.50 5 -4 7 31.70 14.90 -5 4 -8 27.50 14.50 5 4 8 8.90 11.70 5 -4 8 41.50 9.60 -5 -4 -8 28.50 16.10 5 -4 8 20.80 9.50 5 -4 8 12.20 14.80 -5 4 -9 198.68 26.60 5 4 9 214.78 33.70 5 -4 9 211.98 34.70 5 -4 9 192.08 17.40 5 -4 9 266.67 23.10 -5 -4 -9 209.58 32.90 -5 4 -10 9.80 9.40 5 4 10 24.50 17.30 5 -4 10 8.00 7.30 5 -4 10 20.10 18.70 -5 -4 -10 10.20 9.90 5 4 11 32.70 18.90 -5 4 -11 25.30 14.10 -5 -4 -11 65.49 21.40 5 -4 11 64.59 22.10 5 4 12 -13.50 10.80 -5 4 -12 -1.90 8.50 -5 -4 -12 -9.70 9.60 5 -4 12 -9.60 10.70 -5 4 -13 15.00 12.00 5 4 13 9.80 12.90 -5 -4 -13 -2.50 13.40 5 -4 13 13.70 14.90 5 4 14 6.70 16.00 -5 4 -14 14.70 12.30 -5 -4 -14 29.40 17.60 5 -4 14 29.00 20.80 -5 4 -15 17.60 12.30 5 4 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11.70 5 -5 7 11.50 7.00 -5 -5 -7 23.30 11.60 5 5 8 2.70 11.70 -5 5 -8 -1.40 7.70 5 -5 8 38.10 16.60 5 -5 8 6.30 4.90 -5 -5 -8 1.70 11.70 5 5 9 14.80 15.10 -5 5 -9 -3.90 10.40 5 -5 9 21.40 20.00 -5 -5 -9 -0.40 12.70 5 5 10 17.20 13.20 5 -5 10 18.40 15.40 -5 -5 -10 9.00 18.50 -5 5 -11 -7.80 9.80 5 5 11 11.50 15.90 -5 -5 -11 7.00 10.90 5 -5 11 19.30 15.90 -5 5 -12 12.10 11.60 5 5 12 -3.50 14.40 -5 -5 -12 -5.90 9.70 5 -5 12 0.40 15.90 5 5 13 14.10 11.20 -5 -5 -13 -14.50 10.50 5 -5 13 2.60 17.00 -5 5 -14 -0.30 14.60 5 5 14 -20.70 12.70 5 -5 14 6.30 23.10 -5 -5 -14 -4.80 14.90 5 5 15 -1.00 15.50 -5 5 -15 4.60 14.50 -5 -5 -15 22.80 18.10 5 -5 15 49.10 24.40 -5 6 12 15.50 17.70 5 6 -12 -10.10 11.70 -5 -6 12 2.70 18.70 5 -6 -12 18.50 19.90 5 6 -11 -19.90 13.30 -5 6 11 2.00 11.50 5 -6 -11 5.70 17.00 -5 -6 11 5.60 17.10 5 6 -10 5.40 12.20 -5 6 10 1.70 16.40 5 -6 -10 -22.70 11.40 -5 -6 10 18.20 14.40 -5 6 9 28.10 17.70 5 6 -9 -5.20 13.10 5 -6 -9 36.40 16.40 -5 -6 9 21.00 15.00 -5 6 8 3.10 12.90 5 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-15.10 16.30 6 -7 5 -5.00 16.50 6 -7 5 32.00 20.60 6 -7 5 26.80 15.20 -6 -7 -5 3.80 12.00 7 0 -21 6.80 11.80 -7 0 21 12.20 15.50 -7 0 21 5.30 18.90 -7 0 20 42.40 16.40 7 0 -20 23.80 14.80 -7 0 20 26.30 21.40 -7 0 19 11.90 15.10 7 0 -19 9.60 9.30 -7 0 19 -10.40 12.80 -7 0 18 136.89 30.30 7 0 -18 147.79 22.30 -7 0 18 132.09 34.70 -7 0 17 4.30 9.20 -7 0 17 -5.10 8.50 7 0 -17 7.40 6.60 -7 0 16 10.40 11.30 -7 0 16 7.60 7.40 7 0 -16 9.50 8.30 -7 0 15 11.00 7.20 -7 0 15 -12.00 8.20 7 0 -15 -1.10 5.70 7 0 -14 26.70 9.80 -7 0 14 22.50 15.30 -7 0 14 15.00 8.80 7 0 -13 7.10 5.90 -7 0 13 5.10 5.90 -7 0 13 2.80 6.90 7 0 -12 59.99 13.90 -7 0 12 90.19 27.10 -7 0 12 65.59 16.70 -7 0 11 4.30 5.80 7 0 -11 5.70 4.50 -7 0 11 -2.50 5.00 -7 0 10 446.96 33.10 -7 0 10 434.76 38.10 7 0 -10 589.34 33.50 7 0 -9 3.90 9.20 -7 0 9 -5.60 3.80 7 0 -9 3.40 3.50 7 0 -9 -3.30 4.40 -7 0 9 1.30 3.50 -7 0 8 427.16 34.90 -7 0 8 498.15 32.10 7 0 -8 537.05 29.40 7 0 -8 501.45 40.90 7 0 -8 435.46 32.90 -7 0 7 -1.50 3.30 -7 0 7 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21.90 -8 4 5 83.99 21.70 -8 4 5 89.99 26.90 8 4 -5 100.19 19.10 -8 -4 5 80.29 22.20 -8 -4 5 78.59 10.20 8 -4 -5 65.29 20.80 8 -4 -5 73.09 30.90 8 4 -4 6.20 8.60 -8 4 4 15.60 12.50 -8 4 4 19.30 11.40 8 4 -4 -2.40 5.30 -8 -4 4 16.40 6.40 8 -4 -4 6.60 6.30 -8 -4 4 9.20 12.20 8 -4 -4 7.40 10.90 8 4 -3 -7.70 4.80 8 4 -3 -0.10 5.90 -8 4 3 -2.60 5.30 -8 4 3 1.60 7.50 8 -4 -3 -2.20 8.90 -8 -4 3 9.80 4.80 8 -4 -3 8.90 7.50 -8 4 2 44.90 14.30 -8 4 2 40.90 17.00 8 4 -2 42.60 16.00 -8 4 2 28.50 11.60 8 4 -2 43.50 13.80 8 -4 -2 30.80 18.40 -8 -4 2 55.19 14.60 8 -4 -2 45.80 15.50 8 4 -1 9.60 7.30 -8 4 1 8.60 7.20 8 4 -1 19.30 11.40 -8 4 1 18.10 8.30 -8 4 1 17.70 13.50 8 -4 -1 26.40 13.20 8 -4 -1 5.10 8.60 8 -4 -1 18.90 11.00 -8 -4 1 11.00 7.80 8 4 0 41.80 16.50 -8 4 0 23.20 15.80 8 4 0 25.70 12.10 -8 4 0 38.30 13.40 8 4 0 39.60 9.00 -8 4 0 38.50 13.10 8 -4 0 30.90 12.60 8 -4 0 28.70 15.40 8 -4 0 39.80 16.50 -8 -4 0 37.40 10.50 8 4 1 30.30 10.20 8 4 1 13.50 10.90 -8 4 -1 20.10 14.10 -8 4 -1 19.10 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10 4 -15 28.70 10.80 -10 4 15 2.70 11.10 -10 4 15 -4.20 15.60 -10 -4 15 -0.60 15.00 -10 4 14 2.40 16.90 -10 4 14 -1.60 12.90 10 4 -14 14.00 8.80 -10 -4 14 6.40 13.20 10 -4 -14 10.40 10.40 -10 4 13 38.60 17.10 -10 4 13 45.40 19.90 10 4 -13 51.59 20.30 10 -4 -13 7.60 16.50 -10 -4 13 30.20 18.70 -10 4 12 -21.30 12.70 -10 -4 12 -7.10 11.50 10 -4 -12 16.10 13.80 10 4 -11 3.70 10.60 -10 4 11 1.40 13.60 -10 4 11 1.30 10.00 10 -4 -11 2.70 9.80 -10 -4 11 19.20 11.90 10 4 -10 0.00 9.10 -10 4 10 3.40 8.20 -10 4 10 -6.90 19.50 10 -4 -10 -10.60 9.80 -10 -4 10 8.70 9.00 -10 4 9 31.90 13.00 10 4 -9 27.10 13.60 -10 4 9 25.60 12.90 -10 -4 9 16.00 12.00 10 -4 -9 26.80 15.90 10 -4 -9 32.80 20.30 -10 4 8 -4.80 10.80 -10 4 8 9.10 10.50 10 -4 -8 10.60 10.30 -10 -4 8 11.50 10.00 10 -4 -8 20.30 14.20 10 4 -7 43.60 14.90 -10 4 7 43.80 18.90 -10 4 7 36.90 18.60 10 4 -7 43.40 11.20 -10 -4 7 57.69 17.40 -10 -4 7 60.69 13.60 10 -4 -7 18.90 14.60 10 -4 -7 33.00 15.50 10 4 -6 13.90 9.60 -10 4 6 14.80 14.20 10 4 -6 12.90 9.20 -10 4 6 22.40 14.50 10 -4 -6 11.90 9.70 -10 -4 6 26.40 10.30 -10 -4 6 10.40 11.10 10 -4 -6 15.80 15.00 10 4 -5 31.30 13.80 -10 4 5 28.10 13.70 -10 4 5 40.50 16.60 10 4 -5 19.70 11.40 10 -4 -5 13.80 10.40 10 -4 -5 16.90 13.60 -10 -4 5 47.40 11.50 -10 -4 5 36.70 16.70 -10 4 4 174.38 40.50 10 4 -4 82.59 25.70 10 4 -4 137.19 27.70 -10 4 4 117.19 26.70 -10 -4 4 130.29 14.80 10 -4 -4 118.19 27.40 10 -4 -4 166.28 45.30 -10 -4 4 104.89 18.80 10 4 -3 329.07 29.90 -10 4 3 333.77 33.40 10 4 -3 341.37 38.20 -10 4 3 353.46 46.00 10 -4 -3 301.87 38.50 10 -4 -3 294.17 33.60 -10 -4 3 296.37 30.70 10 4 -2 59.49 17.30 -10 4 2 54.79 29.40 -10 4 2 44.90 12.90 10 4 -2 48.80 16.20 10 -4 -2 53.79 22.00 -10 -4 2 58.29 16.60 10 -4 -2 49.80 17.60 10 4 -1 23.70 8.50 -10 4 1 25.50 12.00 -10 4 1 30.80 13.40 -10 4 1 17.50 10.60 10 4 -1 47.60 16.90 -10 -4 1 23.50 9.30 10 -4 -1 22.70 9.30 10 -4 -1 45.50 14.30 10 4 0 105.89 19.40 10 4 0 140.59 31.60 10 4 0 120.39 19.40 -10 4 0 184.48 31.00 -10 4 0 117.89 19.30 10 -4 0 141.89 33.50 -10 -4 0 143.59 16.20 10 -4 0 123.19 18.60 10 -4 0 110.99 31.10 10 4 1 6.80 7.80 10 4 1 11.50 12.10 -10 4 -1 8.30 9.20 -10 4 -1 5.10 13.60 10 4 1 23.60 10.70 10 -4 1 15.10 11.90 10 -4 1 24.20 12.20 10 -4 1 12.00 9.30 -10 4 -2 8.70 9.20 -10 4 -2 19.80 18.20 10 4 2 27.60 15.70 10 4 2 14.50 10.30 -10 -4 -2 6.00 9.50 10 -4 2 24.60 13.40 10 -4 2 11.60 9.40 10 -4 2 9.70 9.80 10 4 3 -6.20 7.20 10 4 3 19.10 9.10 -10 4 -3 -0.80 14.10 10 4 3 -0.20 6.50 -10 4 -3 -9.50 5.10 -10 -4 -3 3.00 5.80 10 -4 3 -1.40 9.50 10 -4 3 19.60 7.20 -10 -4 -3 4.20 8.30 -10 4 -4 53.09 15.80 -10 4 -4 72.49 27.30 10 4 4 58.79 21.10 10 4 4 82.09 23.30 -10 -4 -4 31.30 17.00 10 -4 4 77.09 25.80 10 -4 4 58.49 16.60 10 4 5 41.00 19.40 -10 4 -5 41.70 15.90 -10 4 -5 62.19 33.10 10 4 5 51.99 19.20 10 -4 5 49.40 13.40 10 -4 5 69.39 29.90 -10 -4 -5 43.20 19.40 10 4 6 37.10 20.30 10 4 6 36.80 14.70 -10 4 -6 19.20 13.60 -10 4 -6 55.29 26.10 10 -4 6 44.70 12.40 10 -4 6 37.10 15.50 -10 -4 -6 49.70 19.30 10 4 7 287.37 39.00 -10 4 -7 279.07 31.00 10 -4 7 351.16 29.00 -10 -4 -7 263.47 37.30 10 -4 7 333.37 43.60 -10 4 -8 18.80 11.70 10 4 8 25.80 10.60 10 -4 8 8.50 11.20 -10 -4 -8 -3.30 8.90 10 -4 8 19.30 10.40 -10 4 -9 19.20 16.30 10 4 9 16.60 13.20 10 -4 9 21.10 17.30 -10 -4 -9 25.60 13.20 10 -4 9 16.60 10.10 10 4 10 21.00 14.40 -10 4 -10 0.40 11.60 10 -4 10 14.30 12.20 -10 -4 -10 13.40 11.50 -10 4 -11 -17.30 8.20 10 4 11 -5.70 19.40 10 -4 11 -1.10 10.50 10 -4 11 11.00 9.10 -10 -4 -11 -12.30 9.00 -10 4 -12 -8.00 10.50 10 4 12 12.50 14.60 10 -4 12 10.20 16.90 -10 -4 -12 18.40 14.30 10 -4 12 28.80 10.20 10 4 13 7.50 15.90 -10 4 -13 -10.60 9.90 -10 -4 -13 -17.30 13.80 10 -4 13 25.90 17.20 10 -4 13 18.70 11.40 10 4 14 4.60 15.80 -10 4 -14 1.00 14.10 -10 -4 -14 -10.20 14.50 10 -4 14 30.20 12.50 10 -4 14 26.70 19.00 10 4 15 16.40 19.30 -10 4 -15 -1.80 15.30 -10 -4 -15 4.00 14.50 10 -4 15 36.00 16.30 10 -4 15 -12.30 22.20 10 5 -14 36.50 15.50 -10 5 14 19.70 12.10 -10 -5 14 -29.50 17.40 10 5 -13 -12.40 13.70 -10 5 13 0.30 18.40 -10 5 13 30.60 16.30 10 -5 -13 3.50 16.00 -10 -5 13 33.50 19.80 -10 5 12 21.20 11.20 10 5 -12 14.90 14.90 -10 5 12 9.30 17.60 -10 -5 12 21.30 13.00 10 -5 -12 19.20 11.60 10 5 -11 31.70 12.90 -10 5 11 -4.00 10.10 -10 5 11 -15.70 15.30 -10 -5 11 -11.20 12.60 -10 5 10 -5.30 15.10 -10 5 10 0.60 11.90 10 5 -10 21.20 12.20 10 -5 -10 -13.00 10.00 -10 -5 10 -6.10 13.00 10 -5 -10 24.60 20.10 -10 5 9 6.70 10.20 10 5 -9 7.20 13.10 -10 5 9 -14.10 15.90 10 -5 -9 -4.00 9.80 10 -5 -9 11.10 15.60 -10 -5 9 18.70 14.10 -10 5 8 7.20 11.00 -10 5 8 -14.00 14.90 -10 -5 8 29.10 13.50 10 -5 -8 16.10 15.70 10 -5 -8 -13.60 8.40 -10 5 7 -14.80 13.30 -10 5 7 11.80 10.90 10 5 -7 12.20 12.40 10 -5 -7 14.20 17.70 -10 -5 7 15.50 10.20 10 5 -6 -1.80 9.20 -10 5 6 -24.40 14.70 -10 5 6 9.70 11.60 10 5 -6 -1.80 10.20 -10 -5 6 -1.00 8.60 10 -5 -6 -2.40 13.40 10 -5 -6 4.80 11.30 -10 5 5 -16.30 11.90 -10 5 5 -8.60 7.00 10 5 -5 3.50 7.90 -10 -5 5 -3.80 8.40 -10 -5 5 6.70 8.10 10 -5 -5 16.90 9.40 10 -5 -5 1.70 12.60 -10 5 4 21.60 13.40 10 5 -4 16.80 8.90 10 5 -4 22.90 11.20 -10 5 4 -1.90 15.90 10 -5 -4 0.70 17.10 -10 -5 4 30.00 12.80 10 -5 -4 12.90 16.80 10 -5 -4 20.70 11.30 10 5 -3 2.50 10.40 -10 5 3 -15.10 10.70 -10 5 3 7.80 10.50 10 5 -3 -0.80 11.60 10 -5 -3 28.40 15.30 10 -5 -3 18.60 13.30 10 -5 -3 -5.10 7.50 -10 -5 3 7.30 13.80 -10 5 2 46.90 16.90 -10 5 2 41.00 23.90 10 5 -2 64.69 20.20 10 -5 -2 21.10 16.90 -10 -5 2 34.70 13.50 10 -5 -2 34.90 18.80 10 -5 -2 61.39 21.20 -10 5 1 3.70 14.20 10 5 -1 1.10 12.30 -10 5 1 -2.10 5.80 10 5 -1 2.10 11.00 -10 -5 1 2.70 9.10 10 -5 -1 0.60 9.90 10 -5 -1 16.90 11.30 10 -5 -1 25.10 11.20 10 5 0 -8.60 9.70 -10 5 0 9.20 9.70 -10 5 0 2.60 14.30 -10 5 0 -9.60 6.70 10 5 0 -5.00 11.50 10 -5 0 5.10 15.50 10 -5 0 -1.10 10.00 -10 -5 0 7.80 9.00 10 -5 0 4.70 11.40 -10 5 -1 4.70 15.80 10 5 1 1.00 8.50 10 5 1 6.10 13.50 10 5 1 -7.40 11.50 -10 5 -1 3.10 11.00 -10 -5 -1 1.40 9.40 10 -5 1 -7.10 10.40 10 -5 1 28.60 12.40 -10 -5 -1 6.90 7.20 10 -5 1 9.90 13.10 10 5 2 -6.10 12.90 10 5 2 3.70 11.50 -10 5 -2 20.10 20.60 -10 5 -2 -3.70 9.80 10 -5 2 12.90 13.30 10 -5 2 25.80 10.00 -10 -5 -2 10.70 11.30 -10 -5 -2 34.80 27.70 10 -5 2 19.30 11.20 -10 5 -3 7.60 14.50 10 5 3 -9.60 11.20 -10 5 -3 13.70 10.30 10 5 3 -2.50 9.60 10 -5 3 18.10 7.30 10 -5 3 6.30 6.10 -10 -5 -3 1.90 12.50 10 -5 3 26.20 16.40 10 5 4 -2.10 10.00 -10 5 -4 8.30 10.50 10 5 4 1.40 14.70 -10 5 -4 29.70 21.10 10 -5 4 0.80 9.30 10 -5 4 16.50 10.60 -10 -5 -4 8.90 12.50 10 5 5 5.90 11.90 -10 5 -5 0.00 11.40 10 5 5 11.10 12.20 -10 -5 -5 14.70 13.20 10 -5 5 38.10 19.30 10 5 6 10.90 18.90 -10 5 -6 10.90 11.20 10 5 6 -2.40 13.20 10 -5 6 15.40 9.20 -10 -5 -6 33.80 17.30 10 -5 6 11.30 17.60 10 5 7 -7.90 8.20 -10 5 -7 3.70 10.50 10 -5 7 17.30 15.90 10 -5 7 -6.80 6.50 -10 -5 -7 17.60 8.80 10 5 8 -23.10 11.70 -10 5 -8 -6.80 9.60 -10 -5 -8 -8.30 12.20 10 -5 8 -1.20 7.20 10 -5 8 25.30 18.80 10 5 9 16.50 16.70 -10 5 -9 26.60 15.80 10 -5 9 -8.00 15.50 -10 -5 -9 15.70 18.70 10 -5 9 8.80 8.10 10 5 10 3.40 15.90 -10 5 -10 7.90 15.70 10 -5 10 -6.20 15.10 10 -5 10 2.10 8.80 -10 -5 -10 0.60 12.40 10 5 11 13.10 16.80 -10 5 -11 -24.50 12.60 10 -5 11 4.30 15.10 10 -5 11 21.30 9.50 -10 -5 -11 21.30 13.80 10 5 12 23.80 17.70 -10 5 -12 -24.60 14.20 -10 -5 -12 24.00 14.30 10 -5 12 -8.80 19.60 10 -5 12 6.80 9.00 10 5 13 9.10 17.20 -10 5 -13 16.70 16.00 -10 -5 -13 28.30 12.40 10 -5 13 23.80 17.70 10 6 -10 12.40 15.30 -10 6 10 -17.80 22.00 -10 6 10 20.00 17.70 10 -6 -10 7.00 17.20 10 -6 -10 4.80 24.10 -10 -6 10 33.70 21.00 10 -6 -10 41.40 18.80 10 6 -9 25.10 19.50 -10 6 9 5.30 23.20 -10 6 9 36.70 14.80 10 -6 -9 -4.70 13.70 10 -6 -9 34.60 19.50 -10 -6 9 31.60 15.00 -10 6 8 -3.60 21.10 -10 6 8 2.90 9.40 10 6 -8 3.10 13.60 -10 -6 8 16.40 27.40 10 -6 -8 8.30 17.80 10 -6 -8 -17.60 15.80 10 -6 -8 -10.90 12.50 10 6 -7 7.60 15.20 -10 6 7 6.60 10.00 -10 6 7 -13.60 19.50 -10 -6 7 -8.90 14.40 10 -6 -7 23.70 14.70 10 -6 -7 28.60 18.00 10 -6 -7 30.70 16.40 10 6 -6 -13.30 10.30 -10 6 6 1.80 10.90 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23.50 22.00 -10 6 -8 12.40 18.60 10 -6 8 32.50 27.10 -10 -6 -8 49.00 19.10 10 -6 8 26.30 16.00 10 6 9 -0.90 14.50 -10 6 -9 -12.20 15.90 10 -6 9 -6.70 23.20 10 -6 9 8.70 10.90 -10 -6 -9 -23.60 14.10 -10 -7 1 20.50 14.90 10 -7 -1 1.10 17.60 10 -7 0 27.90 19.40 11 0 -20 -2.60 9.20 -11 0 20 -8.40 14.40 11 0 -20 5.80 26.60 -11 0 20 -20.30 18.90 -11 0 19 -9.10 9.10 11 0 -19 44.40 24.40 11 0 -19 4.40 8.60 -11 0 19 14.80 16.40 -11 0 18 19.90 12.70 11 0 -18 12.80 17.40 -11 0 18 32.40 18.30 11 0 -18 22.70 11.60 -11 0 17 18.70 9.80 11 0 -17 7.40 15.70 -11 0 17 2.30 11.10 11 0 -17 12.40 9.30 -11 0 16 1.50 10.70 11 0 -16 -21.30 15.10 11 0 -16 1.10 8.00 -11 0 16 7.20 8.90 11 0 -15 0.20 13.70 -11 0 15 19.10 7.50 11 0 -15 2.90 7.60 -11 0 15 13.10 12.40 -11 0 14 18.60 13.70 11 0 -14 17.50 17.00 11 0 -14 27.50 10.50 -11 0 14 31.50 12.40 11 0 -13 5.90 10.10 -11 0 13 11.40 6.20 11 0 -13 8.00 6.60 -11 0 13 -6.70 9.30 11 0 -12 220.68 30.70 11 0 -12 254.17 23.80 -11 0 12 252.87 24.90 -11 0 12 196.88 29.30 11 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6.20 13.40 -11 4 13 9.60 15.00 11 -4 -13 31.00 18.30 11 -4 -13 -9.80 10.90 -11 -4 13 28.10 17.10 -11 4 12 9.90 10.20 11 4 -12 12.70 12.30 11 -4 -12 2.80 12.40 11 -4 -12 27.40 21.80 -11 -4 12 42.10 25.80 -11 4 11 5.10 13.70 11 4 -11 4.50 10.80 -11 4 11 23.70 10.30 11 -4 -11 -0.80 8.80 -11 -4 11 29.90 14.70 11 -4 -11 6.30 12.50 -11 4 10 19.50 10.50 -11 4 10 -21.30 11.60 11 4 -10 -9.00 7.50 11 -4 -10 0.20 8.40 -11 -4 10 8.60 10.70 11 -4 -10 13.00 13.50 -11 4 9 0.40 7.30 -11 4 9 -5.90 14.80 11 4 -9 18.40 11.40 11 -4 -9 17.20 15.40 -11 -4 9 21.60 11.60 11 -4 -9 7.90 10.30 11 4 -8 2.10 10.70 -11 4 8 -14.10 8.00 11 -4 -8 12.20 9.00 -11 -4 8 2.30 9.20 11 -4 -8 1.60 12.70 -11 4 7 25.80 11.90 11 4 -7 17.00 12.30 -11 4 7 28.70 19.20 11 4 -7 35.80 11.80 -11 -4 7 26.80 15.10 -11 -4 7 15.60 12.60 11 -4 -7 29.70 16.50 11 -4 -7 24.70 14.60 11 4 -6 23.60 9.60 -11 4 6 2.60 14.20 11 4 -6 4.00 10.90 -11 4 6 11.40 8.70 11 -4 -6 26.50 17.30 -11 -4 6 -5.00 8.30 11 -4 -6 28.70 12.70 -11 -4 6 27.90 14.60 -11 4 5 7.10 12.10 -11 4 5 5.80 9.00 11 4 -5 11.30 11.00 -11 -4 5 -4.50 8.90 -11 -4 5 26.00 9.30 11 -4 -5 6.50 12.00 11 -4 -5 7.70 11.00 11 4 -4 133.99 18.90 -11 4 4 172.28 23.80 11 4 -4 147.49 25.40 -11 4 4 162.08 30.40 -11 -4 4 169.18 22.50 11 -4 -4 169.38 42.90 11 -4 -4 191.18 23.80 -11 4 3 15.40 15.20 -11 4 3 24.80 11.30 11 4 -3 3.30 9.20 11 4 -3 25.70 12.10 -11 -4 3 26.30 13.30 11 -4 -3 22.80 11.70 11 -4 -3 22.00 17.00 -11 4 2 83.69 29.00 11 4 -2 94.99 22.20 -11 4 2 105.09 24.20 11 4 -2 69.19 21.70 11 -4 -2 81.99 21.50 -11 -4 2 83.29 14.80 11 -4 -2 139.69 34.20 11 4 -1 140.89 28.50 11 4 -1 95.49 26.50 -11 4 1 85.89 15.20 -11 4 1 143.09 37.10 11 -4 -1 86.29 24.60 -11 -4 1 95.39 16.30 11 -4 -1 106.29 18.40 -11 4 0 4.80 13.70 -11 4 0 1.10 8.30 11 4 0 -0.60 8.80 11 4 0 16.00 9.50 11 -4 0 12.00 9.00 -11 -4 0 20.70 8.20 11 -4 0 -12.70 10.10 11 -4 0 10.10 8.70 11 4 1 4.30 8.80 -11 4 -1 11.00 13.30 11 4 1 -6.10 10.30 11 4 1 -8.40 6.80 -11 4 -1 -3.80 5.20 11 -4 1 5.20 12.00 11 -4 1 8.60 7.60 -11 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1.30 9.30 11 -5 2 36.00 16.30 11 -5 2 21.20 11.80 11 5 3 127.09 33.40 -11 5 -3 83.89 30.30 -11 5 -3 69.09 21.30 11 5 3 72.09 25.20 11 -5 3 46.00 26.30 -11 -5 -3 53.29 22.70 11 -5 3 75.39 21.00 11 -5 3 89.89 23.90 -11 5 -4 26.40 15.30 -11 5 -4 52.39 26.20 11 5 4 20.70 15.70 11 5 4 25.70 19.00 11 -5 4 31.20 16.50 11 -5 4 45.40 13.20 11 -5 4 -0.10 9.30 -11 -5 -4 12.30 12.20 11 5 5 14.20 20.10 11 5 5 13.40 15.30 -11 5 -5 23.60 12.50 11 -5 5 21.60 17.20 -11 -5 -5 21.20 11.70 11 -5 5 -0.70 8.70 11 5 6 -0.80 14.90 -11 5 -6 13.20 12.00 11 5 6 14.50 14.60 11 -5 6 21.60 19.40 11 -5 6 30.20 12.40 -11 -5 -6 27.20 14.50 11 5 7 9.20 13.80 -11 -5 -7 -4.30 11.70 11 -5 7 -14.90 17.40 11 -5 7 9.90 10.30 11 5 8 27.70 13.70 -11 5 -8 18.20 14.00 -11 -5 -8 9.70 11.90 11 -5 8 65.69 28.80 11 -5 8 25.60 12.70 -11 5 -9 15.00 15.60 11 5 9 3.50 16.70 11 -5 9 -4.90 17.60 -11 -5 -9 40.90 14.70 -11 5 -10 -1.80 12.50 11 5 10 2.90 13.30 11 -5 10 0.10 9.60 -11 -5 -10 4.70 12.60 11 -5 10 1.80 8.20 -11 5 -11 -2.30 14.60 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7.60 12 -2 5 9.40 10.90 -12 -2 -5 19.50 10.70 12 -2 5 9.50 3.20 -12 -2 -5 2.20 4.90 -12 2 -6 5.10 4.40 -12 2 -6 21.50 19.20 12 2 6 4.50 6.50 12 -2 6 3.40 5.40 12 -2 6 0.20 3.10 -12 -2 -6 0.90 4.90 12 -2 6 2.90 9.00 -12 -2 -6 5.00 7.70 12 2 7 20.20 11.50 -12 2 -7 10.10 6.10 12 2 7 12.40 7.30 -12 2 -7 0.60 12.90 12 2 7 20.80 8.80 12 -2 7 10.60 7.00 -12 -2 -7 26.40 11.60 -12 -2 -7 10.30 7.90 12 -2 7 4.90 3.70 12 -2 7 -1.30 12.20 -12 2 -8 48.50 20.20 12 2 8 1.30 8.70 12 2 8 17.20 10.70 12 2 8 44.10 16.40 -12 2 -8 29.60 7.90 -12 -2 -8 55.09 14.60 12 -2 8 22.00 5.50 -12 -2 -8 12.30 9.80 12 -2 8 21.70 9.00 12 -2 8 20.30 17.00 -12 2 -9 313.87 26.30 12 2 9 297.67 36.30 12 2 9 348.07 28.50 -12 2 -9 274.37 43.10 12 2 9 291.57 25.80 12 -2 9 322.97 29.70 12 -2 9 335.47 42.00 -12 -2 -9 314.47 31.50 12 -2 9 245.38 20.90 12 2 10 32.80 13.90 12 2 10 35.80 11.70 -12 2 -10 9.50 7.30 12 2 10 24.60 13.30 12 -2 10 17.00 16.80 -12 -2 -10 30.00 12.30 12 -2 10 16.70 9.30 12 2 11 18.50 11.40 12 2 11 -10.70 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9 188.28 26.30 12 3 -9 166.28 15.40 -12 3 9 155.98 27.10 12 3 -9 148.59 24.20 12 3 -9 169.28 25.30 12 -3 -9 230.58 55.19 -12 -3 9 177.18 27.10 12 -3 -9 189.38 24.40 12 3 -8 48.60 11.70 -12 3 8 55.59 21.40 12 3 -8 34.60 13.80 12 3 -8 67.59 13.80 -12 3 8 75.59 19.60 -12 -3 8 43.10 16.90 12 -3 -8 37.10 13.40 -12 -3 8 89.49 21.30 12 -3 -8 30.80 18.70 12 3 -7 75.29 15.60 12 3 -7 78.69 15.30 -12 3 7 76.39 20.10 12 3 -7 75.39 18.60 -12 3 7 76.89 23.10 12 -3 -7 70.99 17.50 12 -3 -7 80.99 27.40 -12 -3 7 70.29 20.20 12 3 -6 45.40 13.80 -12 3 6 26.00 10.50 12 3 -6 37.60 11.80 -12 -3 6 47.70 12.90 12 -3 -6 45.50 13.30 12 -3 -6 35.50 18.20 -12 -3 6 37.80 14.60 12 3 -5 85.49 17.10 12 3 -5 83.69 21.50 -12 3 5 96.69 33.40 -12 3 5 87.09 22.40 -12 -3 5 80.09 13.80 12 -3 -5 89.09 19.80 -12 -3 5 82.89 14.80 12 -3 -5 88.99 27.40 -12 3 4 58.19 20.60 12 3 -4 53.49 17.80 12 3 -4 79.79 16.20 -12 3 4 65.39 18.20 12 -3 -4 45.30 17.30 12 -3 -4 67.59 11.10 -12 -3 4 67.69 18.20 -12 3 3 36.80 16.70 12 3 -3 36.10 11.60 -12 3 3 33.40 9.70 12 3 -3 43.20 14.10 12 -3 -3 43.80 16.80 12 -3 -3 34.00 10.00 -12 -3 3 30.90 10.30 12 3 -2 88.59 21.70 12 3 -2 76.09 13.20 -12 3 2 83.89 36.70 -12 -3 2 79.39 13.90 12 -3 -2 89.69 22.90 12 -3 -2 81.59 23.40 12 -3 -2 62.09 16.10 12 3 -1 10.90 5.50 -12 3 1 -1.70 12.60 12 3 -1 -7.60 4.30 -12 -3 1 8.70 6.70 12 -3 -1 8.30 6.30 12 -3 -1 -9.70 10.90 12 -3 -1 -2.80 3.40 12 3 0 36.00 13.90 -12 3 0 67.69 25.60 12 3 0 64.69 16.60 12 -3 0 67.09 15.90 12 -3 0 90.59 23.90 12 -3 0 79.99 11.50 -12 -3 0 66.59 11.10 12 3 1 10.20 8.30 -12 3 -1 37.00 14.20 12 3 1 16.10 10.30 12 3 1 9.10 9.20 12 -3 1 8.60 8.00 -12 -3 -1 17.90 9.50 12 -3 1 15.30 7.40 12 3 2 47.80 16.10 12 3 2 46.90 13.60 -12 3 -2 35.20 11.20 -12 3 -2 42.90 20.20 12 3 2 47.40 15.00 -12 -3 -2 60.99 10.20 12 -3 2 44.60 10.10 12 -3 2 45.10 14.10 12 -3 2 28.80 10.50 -12 -3 -2 31.50 13.40 12 3 3 17.50 9.30 -12 3 -3 8.50 15.20 -12 3 -3 -2.40 4.90 12 3 3 12.80 8.90 12 -3 3 2.90 5.30 -12 -3 -3 8.90 8.40 -12 -3 -3 20.90 8.50 12 -3 3 3.30 4.50 12 -3 3 -0.60 10.30 12 -3 3 8.10 6.20 -12 3 -4 -1.10 12.50 12 3 4 10.20 9.60 12 3 4 3.50 6.00 12 3 4 -1.10 7.00 -12 3 -4 -1.30 5.10 -12 -3 -4 -2.90 4.20 12 -3 4 -2.20 7.60 12 -3 4 -1.70 4.40 -12 -3 -4 11.60 7.60 12 3 5 41.70 13.10 -12 3 -5 46.70 23.20 12 3 5 29.90 14.90 12 3 5 40.60 9.70 -12 3 -5 33.90 10.90 -12 -3 -5 39.80 16.10 12 -3 5 51.29 14.60 12 -3 5 35.70 8.00 12 -3 5 38.00 18.20 -12 3 -6 6.30 8.10 -12 3 -6 5.90 13.90 12 3 6 7.10 9.00 12 3 6 -0.20 5.80 12 -3 6 3.80 4.80 12 -3 6 8.80 9.20 -12 -3 -6 6.70 9.70 12 -3 6 10.60 7.50 12 3 7 39.20 13.90 -12 3 -7 34.20 23.00 12 -3 7 20.40 16.30 12 -3 7 34.90 8.70 12 -3 7 48.40 14.40 -12 -3 -7 36.70 15.50 -12 3 -8 8.50 8.50 12 3 8 6.50 11.90 -12 3 -8 25.70 17.50 -12 -3 -8 10.20 9.50 12 -3 8 14.80 14.50 12 -3 8 12.60 8.60 -12 3 -9 -12.50 6.40 12 3 9 0.40 10.80 12 -3 9 34.90 17.20 -12 -3 -9 -1.10 8.00 12 -3 9 5.50 7.00 12 3 10 -8.20 7.50 -12 3 -10 -3.90 6.40 12 -3 10 -10.20 10.40 -12 -3 -10 -11.80 6.60 12 -3 10 9.20 6.90 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13 13.60 15.90 12 -4 -13 15.00 19.00 12 -4 -13 15.50 16.00 -12 4 12 48.40 17.10 -12 4 12 9.10 16.90 12 -4 -12 52.39 20.20 -12 -4 12 38.10 17.30 12 -4 -12 30.20 14.40 12 4 -11 -4.50 10.80 -12 4 11 -0.50 11.70 12 -4 -11 -6.90 21.00 -12 -4 11 15.00 12.00 12 -4 -11 -14.40 9.10 -12 4 10 -5.50 11.40 -12 4 10 0.00 10.10 12 4 -10 10.60 13.60 -12 -4 10 17.20 12.20 12 -4 -10 -2.20 21.40 12 -4 -10 -2.20 7.20 12 4 -9 11.60 12.30 -12 4 9 30.90 11.10 -12 4 9 22.90 17.30 12 -4 -9 34.00 14.30 -12 -4 9 3.10 11.20 12 -4 -9 -14.60 13.10 12 4 -8 11.70 8.80 12 4 -8 7.20 8.70 -12 4 8 17.90 10.80 12 4 -8 15.60 8.90 -12 4 8 9.80 15.60 -12 -4 8 -7.70 12.80 -12 -4 8 33.40 15.80 12 -4 -8 20.00 17.60 12 -4 -8 29.20 13.10 12 4 -7 31.30 15.40 -12 4 7 43.30 22.20 -12 4 7 17.50 10.80 12 4 -7 23.20 9.90 12 -4 -7 34.30 18.10 -12 -4 7 31.70 14.30 -12 -4 7 12.30 9.10 12 -4 -7 33.10 13.60 -12 4 6 13.30 7.90 -12 4 6 2.80 11.30 12 4 -6 12.90 12.10 12 -4 -6 -6.80 8.30 -12 -4 6 -3.90 8.00 -12 -4 6 -11.60 8.60 12 -4 -6 14.30 5.20 12 4 -5 10.80 9.40 -12 4 5 2.80 13.90 -12 4 5 7.80 9.20 12 4 -5 -7.80 6.30 -12 -4 5 -0.90 8.10 12 -4 -5 6.90 9.10 12 -4 -5 35.80 14.40 12 4 -4 8.00 8.10 12 4 -4 -2.00 7.20 -12 4 4 -1.40 12.30 -12 4 4 11.30 5.80 -12 -4 4 -5.20 7.60 12 -4 -4 18.30 8.90 12 -4 -4 -6.00 9.20 -12 4 3 143.49 34.70 12 4 -3 68.39 22.90 12 4 -3 111.49 18.50 -12 4 3 133.19 20.60 12 -4 -3 141.09 24.80 -12 -4 3 126.09 18.80 12 -4 -3 127.79 27.30 12 4 -2 78.39 19.70 -12 4 2 147.59 38.60 -12 4 2 103.89 23.90 12 4 -2 96.09 22.90 12 -4 -2 117.89 30.90 -12 -4 2 94.39 22.40 12 -4 -2 97.19 22.80 -12 4 1 18.60 16.10 12 4 -1 2.10 11.60 12 4 -1 23.10 12.70 -12 -4 1 -3.00 7.50 12 -4 -1 20.00 11.70 12 -4 -1 4.60 7.40 12 4 0 48.80 15.70 -12 4 0 24.30 14.50 12 4 0 24.70 11.90 12 -4 0 20.30 14.60 -12 -4 0 45.20 14.10 12 -4 0 32.90 14.90 12 4 1 40.60 13.30 12 4 1 19.40 11.00 -12 4 -1 32.60 20.00 12 4 1 17.10 13.70 -12 4 -1 24.80 11.50 12 -4 1 22.80 13.40 12 -4 1 22.90 17.50 12 -4 1 21.40 12.90 12 4 2 17.40 11.60 12 4 2 18.60 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17.50 -12 4 -10 16.80 15.10 12 -4 10 27.30 16.20 -12 4 -11 10.40 11.30 12 4 11 16.40 14.40 -12 -4 -11 8.90 12.40 12 -4 11 6.10 16.80 12 4 12 16.30 16.50 -12 4 -12 7.10 12.60 12 -4 12 23.20 13.00 12 -4 12 19.60 19.60 -12 -4 -12 -0.40 12.40 -12 4 -13 -0.60 13.60 12 4 13 -2.30 14.50 12 -4 13 21.30 20.00 12 -4 13 -14.10 10.00 -12 -4 -13 -13.90 10.20 12 4 14 0.60 12.30 -12 4 -14 10.00 15.40 -12 -4 -14 19.10 19.10 12 -4 14 -35.90 22.70 -12 5 13 12.00 19.60 12 5 -13 -0.50 14.00 -12 5 13 34.60 19.10 12 -5 -13 8.20 18.10 12 -5 -13 7.20 13.60 -12 -5 13 13.10 19.10 -12 5 12 -3.20 18.70 12 5 -12 1.60 12.30 -12 5 12 26.40 18.30 12 -5 -12 -0.30 11.00 -12 -5 12 19.40 21.40 12 -5 -12 -36.10 18.10 -12 5 11 -4.30 18.90 12 5 -11 -5.60 10.80 -12 5 11 -8.40 9.10 12 -5 -11 -7.50 26.00 -12 -5 11 -13.80 11.90 12 -5 -11 -2.40 10.80 12 5 -10 28.60 19.30 -12 5 10 3.90 9.20 -12 5 10 -16.20 17.30 12 -5 -10 5.60 8.90 12 -5 -10 31.10 23.00 -12 -5 10 20.60 16.90 12 5 -9 -0.90 11.10 -12 5 9 -15.70 16.80 -12 5 9 11.90 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7 61.79 22.50 14 -4 -7 57.89 17.50 14 -4 -7 90.89 32.10 14 4 -6 18.10 11.30 -14 4 6 22.70 15.40 14 4 -6 19.00 10.30 -14 4 6 24.90 18.10 14 -4 -6 4.80 14.80 14 -4 -6 25.70 9.20 -14 -4 6 24.70 14.20 14 4 -5 23.90 12.90 -14 4 5 45.50 18.70 -14 4 5 30.20 21.40 14 4 -5 46.30 13.50 -14 -4 5 34.40 15.50 14 -4 -5 39.20 22.20 -14 4 4 11.30 12.40 -14 4 4 7.50 6.60 14 4 -4 11.10 9.60 14 4 -4 -0.70 8.90 14 -4 -4 3.30 11.00 14 -4 -4 6.80 6.90 -14 -4 4 2.30 8.10 14 4 -3 37.50 15.80 14 4 -3 40.30 15.40 -14 4 3 32.70 22.50 14 -4 -3 46.50 15.30 14 -4 -3 77.39 23.90 -14 -4 3 43.70 16.30 -14 4 2 32.90 22.20 14 4 -2 32.60 16.50 14 4 -2 24.40 13.00 14 -4 -2 50.09 13.60 -14 -4 2 23.70 12.30 14 -4 -2 31.20 16.90 -14 4 1 -7.30 11.30 14 4 -1 30.90 13.10 14 4 -1 20.90 9.00 14 -4 -1 4.90 7.90 14 -4 -1 3.00 9.70 -14 -4 1 -8.40 7.10 14 4 0 6.50 9.00 -14 4 0 -4.00 14.60 14 4 0 -4.50 7.60 14 -4 0 9.40 6.90 14 -4 0 -6.10 8.00 -14 -4 0 11.00 7.00 14 4 1 16.30 11.10 14 4 1 28.50 14.10 -14 4 -1 41.50 21.50 -14 -4 -1 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59.49 27.80 15 -3 5 11.70 9.30 15 3 6 0.20 9.10 -15 3 -6 9.50 13.60 15 3 6 16.50 12.00 15 -3 6 -3.80 3.90 15 -3 6 1.80 13.20 15 -3 6 -9.50 6.00 -15 -3 -6 21.20 12.00 -15 -3 -6 4.80 9.60 -15 3 -7 10.20 15.40 -15 3 -7 2.00 5.80 15 3 7 13.40 12.80 15 3 7 14.70 9.70 15 -3 7 15.90 13.30 -15 -3 -7 32.00 10.60 -15 -3 -7 -7.20 7.70 15 3 8 16.90 11.40 -15 3 -8 12.80 18.40 15 3 8 -7.90 10.90 -15 3 -8 5.40 6.50 15 -3 8 7.70 5.40 -15 -3 -8 -0.30 7.60 15 -3 8 9.10 13.80 15 3 9 10.80 12.40 15 3 9 54.39 19.60 -15 3 -9 5.30 19.20 15 -3 9 26.60 11.10 -15 -3 -9 26.40 10.80 15 -3 9 17.70 15.80 15 3 10 -7.20 13.10 -15 3 -10 6.30 15.50 -15 3 -10 -8.00 8.00 15 -3 10 18.20 7.60 15 -3 10 -10.20 13.00 -15 -3 -10 11.30 11.40 -15 3 -11 -1.20 10.50 15 3 11 4.70 11.20 15 -3 11 -10.20 15.70 -15 -3 -11 5.40 12.10 15 -3 11 -4.40 8.30 15 3 12 6.30 15.00 15 -3 12 -20.60 19.70 15 -3 12 2.20 9.70 -15 -3 -12 10.80 10.50 -15 3 -13 0.10 13.80 15 3 13 4.10 13.60 15 -3 13 -4.20 18.60 15 -3 13 -17.30 10.10 -15 -3 -13 -1.10 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6 27.90 12.10 15 -4 6 23.00 8.50 15 -4 6 -13.60 7.30 -15 -4 -6 -1.90 12.20 15 4 7 -2.80 12.10 -15 4 -7 18.70 19.70 -15 4 -7 -3.50 8.50 15 -4 7 10.40 6.20 15 -4 7 -7.40 14.50 15 4 8 9.50 14.20 -15 4 -8 2.80 18.60 -15 4 -8 11.10 10.50 -15 -4 -8 6.00 11.80 15 -4 8 6.40 11.40 15 4 9 9.20 12.00 -15 4 -9 -7.70 9.60 15 -4 9 8.60 10.30 15 -4 9 2.60 14.10 -15 -4 -9 4.90 10.50 -15 4 -10 -2.60 11.50 15 4 10 -3.80 13.30 15 -4 10 -14.90 8.00 15 -4 10 -29.80 16.30 -15 -4 -10 2.90 11.60 15 4 11 27.40 17.50 -15 4 -11 -2.00 13.10 15 -4 11 -15.90 16.80 -15 -4 -11 -24.80 13.90 15 -4 11 4.40 11.20 -15 4 -12 -4.90 14.50 15 4 12 -10.20 13.00 15 -4 12 -20.40 16.70 15 -4 12 8.60 11.00 -15 -4 -12 5.30 20.30 15 4 13 15.70 22.10 -15 4 -13 16.60 18.30 -15 -4 -13 -32.00 15.10 15 -4 13 -12.40 14.30 15 -4 13 1.00 20.50 15 5 -11 2.90 14.30 -15 5 11 -6.00 11.90 -15 5 11 -6.40 20.90 15 -5 -11 16.30 13.10 -15 -5 11 8.30 15.10 15 -5 -11 5.20 21.00 15 5 -10 51.69 31.10 -15 5 10 12.70 12.30 -15 5 10 22.50 16.60 -15 -5 10 0.20 12.40 15 -5 -10 45.30 21.40 15 5 -9 34.60 18.90 -15 5 9 5.90 10.70 -15 5 9 21.00 22.90 15 -5 -9 7.70 19.00 -15 -5 9 21.00 15.70 15 5 -8 13.00 13.90 -15 5 8 20.50 11.10 -15 5 8 7.00 22.20 15 -5 -8 36.90 18.10 15 -5 -8 -9.60 10.50 -15 -5 8 -18.30 12.80 15 5 -7 -13.00 12.60 -15 5 7 -1.30 10.80 15 5 -7 -18.40 11.20 -15 5 7 17.20 22.90 15 -5 -7 -14.90 10.20 15 -5 -7 9.90 12.40 -15 5 6 9.30 12.40 -15 5 6 -2.50 19.80 15 5 -6 11.50 11.00 15 5 -6 1.30 10.90 -15 -5 6 11.00 15.90 15 -5 -6 -0.90 14.70 15 -5 -6 28.90 14.60 15 5 -5 -16.40 18.90 15 5 -5 6.30 13.90 -15 5 5 -15.00 14.30 -15 5 5 -17.90 8.60 -15 -5 5 18.50 11.00 15 -5 -5 3.50 10.10 15 -5 -5 -3.90 13.40 15 5 -4 -1.00 11.40 -15 5 4 -14.00 17.40 15 5 -4 2.50 15.40 15 -5 -4 -0.80 9.20 -15 -5 4 -15.00 10.60 15 5 -3 7.90 13.90 -15 5 3 4.30 19.40 15 5 -3 -2.30 15.60 15 -5 -3 20.90 11.00 15 -5 -3 6.90 13.00 -15 5 2 37.80 21.00 15 5 -2 29.00 14.60 15 5 -2 10.60 13.20 -15 -5 2 19.60 13.30 15 -5 -2 9.50 14.00 15 -5 -2 17.20 11.90 15 -5 -2 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-25 0 -3 30.00 21.00 25 0 4 13.20 12.50 -25 0 -4 3.10 18.50 -25 0 -5 -11.40 19.40 25 0 5 27.10 13.20 25 0 6 1.10 10.90 -25 0 -6 -7.60 22.20 25 0 7 -1.50 12.90 -25 0 -7 -10.10 19.80 25 0 8 6.20 14.60 -25 0 -8 40.60 26.10 25 0 8 31.10 23.10 25 1 -10 -21.20 10.60 -25 1 10 1.30 17.60 25 -1 -10 12.10 16.10 -25 -1 10 0.20 24.70 25 1 -9 44.50 15.10 -25 1 9 -0.90 22.20 25 1 -9 17.60 14.40 25 -1 -9 -5.10 10.80 -25 -1 9 15.80 18.40 25 -1 -9 26.80 11.00 25 1 -8 -9.40 10.60 -25 1 8 5.60 18.90 25 1 -8 -3.30 10.70 25 -1 -8 5.50 10.30 25 -1 -8 34.60 11.20 -25 -1 8 18.40 15.80 25 1 -7 7.20 12.20 -25 1 7 24.60 16.80 25 1 -7 -1.90 9.30 25 -1 -7 -15.00 11.40 25 -1 -7 21.90 9.90 -25 -1 7 37.90 17.40 25 1 -6 -18.20 9.10 -25 1 6 17.20 19.20 25 -1 -6 14.20 11.90 -25 -1 6 5.10 17.10 -25 1 5 -16.00 16.00 25 1 -5 4.10 10.20 -25 -1 5 4.00 11.40 25 -1 -5 12.40 12.50 25 1 -4 -2.20 10.10 -25 1 4 10.00 16.80 25 1 -4 41.30 11.50 -25 -1 4 21.80 15.50 -25 1 3 -2.10 16.40 25 1 -3 -10.60 7.70 25 -1 -3 10.40 10.90 -25 -1 3 21.80 17.60 -25 1 2 16.10 19.90 25 1 -2 59.29 18.50 -25 -1 2 12.00 25.00 25 -1 -2 22.70 12.40 -25 1 1 73.49 22.80 25 -1 -1 24.90 13.90 -25 -1 1 22.90 18.10 25 1 0 11.40 11.30 -25 1 0 7.60 17.50 25 -1 0 12.00 9.50 -25 1 -1 25.50 22.20 25 1 1 21.80 13.00 -25 -1 -1 5.40 23.90 25 -1 1 32.40 14.60 25 1 2 33.00 12.60 -25 1 -2 4.80 18.10 -25 -1 -2 34.80 21.80 25 -1 2 8.30 12.30 25 1 3 14.60 7.90 -25 1 -3 35.90 18.30 25 -1 3 8.30 12.50 -25 -1 -3 -16.60 18.40 -25 1 -4 34.30 21.60 25 1 4 12.30 11.60 -25 -1 -4 18.80 19.40 25 -1 4 -9.60 8.30 -25 1 -5 16.10 24.40 25 1 5 5.00 12.80 25 -1 5 4.20 11.10 -25 -1 -5 0.20 19.10 25 1 6 45.60 14.60 -25 1 -6 -2.80 25.80 -25 -1 -6 12.30 23.80 25 1 7 3.80 11.60 -25 1 -7 8.20 26.60 25 -1 7 8.80 15.00 25 -1 7 -8.30 17.90 25 2 -9 13.80 11.10 25 2 -9 22.10 16.10 25 -2 -9 18.90 14.80 25 -2 -9 33.70 11.50 25 2 -8 18.30 11.50 -25 2 8 -20.20 21.80 25 2 -8 26.00 14.90 -25 -2 8 2.70 19.00 25 -2 -8 1.10 14.70 25 -2 -8 13.00 8.70 25 2 -7 28.50 15.40 -25 2 7 -15.90 17.50 25 2 -7 -15.60 9.60 25 -2 -7 -20.20 9.90 -25 -2 7 38.70 16.90 -25 2 6 14.20 23.00 25 2 -6 19.30 12.50 -25 -2 6 13.70 17.70 25 -2 -6 13.90 12.10 25 2 -5 36.60 13.80 -25 2 5 -1.00 21.10 25 2 -5 11.90 11.50 25 -2 -5 12.90 14.30 -25 -2 5 54.59 21.20 25 2 -4 42.40 19.70 -25 2 4 -12.60 19.30 25 2 -4 20.40 13.10 25 -2 -4 24.10 13.40 -25 -2 4 4.60 15.80 -25 2 3 11.90 16.50 25 2 -3 35.00 11.80 25 2 -3 4.10 12.70 -25 -2 3 -16.50 16.30 25 -2 -3 24.00 14.00 25 2 -2 -5.90 10.90 -25 2 2 3.70 19.30 25 -2 -2 -10.30 8.70 -25 -2 2 -3.90 9.30 -25 -2 2 27.40 14.30 25 2 -1 108.59 18.10 -25 2 1 67.49 32.70 25 2 -1 65.79 21.00 -25 -2 1 26.00 14.70 25 -2 -1 48.10 15.50 25 2 0 41.00 12.50 -25 2 0 15.70 23.80 25 2 0 9.50 12.60 -25 -2 0 24.20 10.80 -25 -2 0 -1.00 16.30 25 -2 0 29.20 15.10 25 2 1 17.00 10.60 -25 2 -1 17.20 18.60 -25 -2 -1 6.30 19.70 25 -2 1 -9.70 8.80 -25 2 -2 6.40 16.80 25 2 2 -12.00 10.00 25 -2 2 5.70 9.70 -25 -2 -2 25.60 18.00 -25 2 -3 40.30 23.10 25 2 3 -5.90 11.20 25 -2 3 -3.50 10.70 -25 -2 -3 -24.70 19.30 -25 2 -4 93.99 37.10 -25 -2 -4 63.69 25.40 -25 2 -5 -20.30 24.90 25 2 5 38.10 15.90 -25 -2 -5 38.30 19.80 25 -2 5 18.50 14.40 -25 2 -6 6.10 27.40 25 2 6 15.00 12.70 25 -2 6 3.50 26.60 25 -2 6 9.60 13.30 -25 3 6 -27.30 25.40 25 3 -6 19.10 13.30 -25 -3 6 0.10 19.40 25 -3 -6 12.80 15.10 25 3 -5 5.40 13.30 25 3 -5 20.10 17.00 -25 3 5 -10.60 23.50 25 -3 -5 6.80 13.00 -25 -3 5 22.20 16.50 -25 3 4 4.20 22.40 25 3 -4 -15.50 12.00 25 3 -4 38.40 15.80 25 -3 -4 30.40 15.80 -25 -3 4 30.10 16.60 25 3 -3 4.10 10.60 -25 3 3 -8.80 22.10 25 3 -3 51.59 17.40 25 -3 -3 9.50 11.40 -25 -3 3 52.39 21.80 25 3 -2 31.10 13.20 25 3 -2 -0.50 12.40 -25 -3 2 -6.80 16.80 25 -3 -2 -1.80 11.50 -25 -3 2 0.30 12.80 25 3 -1 46.10 15.40 -25 3 1 -19.00 24.20 25 3 -1 1.20 8.40 -25 -3 1 28.90 15.00 -25 -3 1 4.30 31.90 25 -3 -1 12.10 13.40 -25 3 0 -8.30 24.40 25 3 0 34.20 14.90 25 3 0 -15.80 10.70 -25 -3 0 -9.40 14.30 -25 -3 0 -7.30 10.90 25 -3 0 29.10 13.50 -25 3 -1 11.60 22.80 25 3 1 8.90 12.40 25 3 1 44.90 14.40 -25 -3 -1 53.89 19.10 25 -3 1 5.20 14.50 -25 -3 -1 -13.70 14.10 25 3 2 8.70 16.30 -25 3 -2 24.10 29.00 -25 -3 -2 -13.00 14.40 -25 -3 -2 35.60 18.30 25 3 3 6.40 14.60 -25 3 -3 -12.30 26.10 25 -3 3 0.90 11.50 -25 -3 -3 9.30 20.30 -25 -3 -3 41.90 18.80 -26 0 9 4.60 20.10 26 0 -9 26.70 13.20 -26 0 8 -16.70 16.90 26 0 -8 57.69 19.90 26 0 -8 5.40 12.70 26 0 -7 32.70 12.40 -26 0 7 -19.30 17.70 26 0 -7 1.20 9.90 26 0 -6 -5.60 8.00 26 0 -6 43.10 12.20 -26 0 6 -10.40 12.80 26 0 -5 13.30 7.80 -26 0 5 -14.70 16.50 26 0 -4 10.60 12.20 -26 0 4 30.80 18.60 -26 0 3 4.20 14.70 26 0 -3 12.70 9.00 26 0 -2 -10.60 9.20 -26 0 2 33.30 19.20 -26 0 1 7.10 16.50 26 0 -1 3.10 8.80 -26 0 0 80.09 21.70 -26 0 -1 48.30 21.60 26 0 2 19.50 13.00 -26 0 -2 20.70 17.80 26 0 3 17.30 11.40 -26 0 -3 -9.80 17.30 26 0 4 36.30 13.20 -26 0 -4 12.70 22.50 26 0 5 9.30 12.70 -26 0 -5 -12.60 20.10 -26 0 -6 36.50 18.90 26 0 6 9.90 17.10 26 1 -9 10.90 11.00 -26 1 9 -14.80 18.60 26 -1 -9 9.50 12.20 -26 -1 9 -5.90 17.10 -26 1 8 9.40 19.60 26 1 -8 38.30 14.50 -26 -1 8 -4.50 19.70 26 -1 -8 18.10 12.70 26 -1 -8 35.80 13.90 -26 1 7 4.50 19.90 26 1 -7 2.60 8.60 26 1 -7 16.90 12.70 26 -1 -7 2.90 10.20 -26 -1 7 26.80 20.40 26 1 -6 29.70 12.80 -26 1 6 1.60 19.90 26 1 -6 21.40 12.90 -26 -1 6 31.00 21.50 26 -1 -6 12.30 12.00 26 1 -5 -12.00 9.80 -26 1 5 -13.20 16.20 -26 -1 5 27.10 17.60 26 -1 -5 2.80 14.10 26 1 -4 52.19 12.30 26 1 -4 24.00 10.60 -26 1 4 58.19 24.40 -26 -1 4 30.50 19.90 26 -1 -4 26.20 13.90 -26 1 3 74.59 26.80 26 1 -3 16.80 14.40 26 -1 -3 20.90 12.10 -26 -1 3 33.00 18.10 26 1 -2 23.60 11.50 -26 1 2 33.80 20.10 26 -1 -2 3.30 7.40 -26 -1 2 16.80 19.10 26 1 -1 -7.00 10.40 -26 1 1 2.20 20.30 26 -1 -1 8.00 9.90 -26 -1 1 16.90 17.20 -26 1 0 14.50 15.70 26 1 0 -9.00 9.70 -26 -1 0 -17.70 13.30 26 -1 0 9.40 10.60 -26 1 -1 51.19 21.20 26 1 1 -1.00 9.90 -26 -1 -1 18.30 19.90 26 1 2 35.20 13.70 -26 1 -2 78.49 26.70 26 -1 2 7.40 10.00 -26 -1 -2 15.80 19.20 -26 1 -3 49.70 26.20 26 1 3 33.50 12.90 -26 -1 -3 5.10 22.10 26 -1 3 25.80 15.70 -26 1 -4 28.50 22.80 26 1 4 -1.20 10.00 -26 -1 -4 5.80 16.70 26 -1 4 12.10 13.10 26 1 5 13.80 13.50 -26 1 -5 58.19 25.70 26 -1 5 20.60 9.30 -26 -1 -5 -3.10 17.70 -26 1 -6 -34.10 24.90 26 1 6 23.70 17.40 26 -1 6 0.70 13.80 -26 -1 -6 28.90 26.00 -26 2 7 19.10 23.30 26 2 -7 -0.50 11.70 26 2 -7 32.00 13.30 26 -2 -7 23.30 14.70 -26 -2 7 -7.60 21.70 26 2 -6 36.10 13.20 -26 2 6 -12.30 21.30 -26 -2 6 31.90 18.20 26 -2 -6 14.90 10.60 -26 2 5 27.40 27.30 26 2 -5 59.29 20.00 26 -2 -5 39.80 20.30 -26 -2 5 24.80 18.00 26 2 -4 7.20 11.10 26 2 -4 42.60 17.80 -26 2 4 -13.20 21.60 26 -2 -4 -9.00 9.50 -26 -2 4 31.10 17.00 26 2 -3 49.00 19.80 -26 2 3 65.59 31.20 -26 -2 3 51.19 27.00 26 -2 -3 91.89 28.20 26 2 -2 13.60 14.30 -26 2 2 39.40 27.40 -26 -2 2 24.90 20.80 26 -2 -2 46.70 15.60 -26 -2 2 27.50 10.70 26 2 -1 20.20 15.00 -26 2 1 -18.00 16.60 26 2 -1 44.70 13.90 -26 -2 1 39.00 18.20 26 -2 -1 -3.20 10.60 -26 -2 1 15.10 10.90 -26 2 0 21.90 24.10 26 2 0 11.10 11.40 -26 -2 0 46.30 19.20 26 -2 0 -8.60 7.90 26 2 1 48.00 17.80 -26 2 -1 -4.30 24.10 26 -2 1 27.50 17.70 -26 -2 -1 28.50 18.20 26 2 2 2.40 9.20 -26 2 -2 -10.10 23.50 26 -2 2 17.40 12.00 -26 -2 -2 50.09 26.90 26 2 3 -0.20 12.60 -26 2 -3 -16.30 24.70 26 -2 3 -7.20 9.90 -26 2 -4 21.20 25.70 26 -2 4 7.00 11.70 -26 -2 -4 -2.90 32.20 27 0 -7 10.00 13.50 -27 0 7 20.00 21.40 27 0 -6 13.10 10.70 -27 0 6 14.40 20.30 -27 0 5 5.80 20.70 27 0 -5 12.40 12.00 27 0 -4 6.70 10.10 -27 0 4 26.00 20.20 -27 0 3 50.19 20.80 27 0 -2 9.40 12.50 -27 0 2 1.90 19.00 27 0 -1 2.70 6.60 -27 0 1 12.60 17.00 -27 0 0 39.80 21.90 27 0 0 17.50 14.10 27 0 1 -11.00 9.50 -27 0 -1 26.90 20.20 27 0 2 -10.90 12.10 -27 0 -2 33.70 24.40 27 0 3 0.40 11.70 -27 0 -3 11.80 19.90 -27 0 -4 -17.40 23.50 27 0 4 9.40 12.40 -27 1 6 20.10 24.10 27 1 -6 12.10 13.70 27 1 -6 17.20 15.60 -27 -1 6 13.90 24.00 27 -1 -6 15.40 11.40 27 1 -5 27.10 16.70 -27 1 5 -2.00 20.20 27 -1 -5 18.80 14.20 -27 -1 5 34.90 23.50 -27 1 4 37.30 29.00 27 1 -4 14.40 15.30 27 -1 -4 26.30 16.50 -27 -1 4 13.30 18.50 -27 1 3 -2.90 25.50 27 1 -3 -1.80 7.90 27 -1 -3 -2.80 12.10 -27 -1 3 18.70 17.80 27 1 -2 31.70 15.70 -27 1 2 11.10 22.10 -27 -1 2 22.00 22.30 27 -1 -2 21.00 14.90 27 1 -1 19.30 10.80 -27 -1 1 39.60 21.00 27 -1 -1 13.40 14.50 -27 1 0 29.60 21.90 27 1 0 2.40 11.10 -27 -1 0 8.00 20.30 27 -1 0 2.30 11.00 -27 1 -1 -4.30 20.70 27 1 1 3.70 14.00 27 -1 1 3.30 10.20 -27 -1 -1 -12.50 21.10 27 1 2 -3.70 12.30 27 -1 2 22.90 15.20 -27 -1 -2 -6.60 19.10 27 1 3 9.00 13.40 -27 1 -3 -3.70 27.60 -27 -1 -3 11.10 21.90 27 -1 3 4.40 15.10 27 2 -3 22.30 16.20 -27 2 3 43.50 27.80 -27 -2 3 27.00 26.80 27 2 -2 24.30 16.40 -27 2 2 62.79 24.90 -27 -2 2 5.70 19.50 27 -2 -2 17.00 15.20 -27 2 1 6.60 21.70 27 2 -1 -10.50 11.50 -27 -2 1 36.00 19.90 27 -2 -1 37.00 20.30 -28 0 3 43.90 27.80 28 0 -3 30.70 13.90 28 0 -2 13.60 9.70 -28 0 2 -21.20 20.20 28 0 -1 2.40 10.00 28 0 0 -18.60 9.10 -28 0 0 -24.30 20.20 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 96998 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -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 O1 O 0.72300(12) 0.5964(5) 0.77624(17) 0.0600(8) Uani 1 1 d . . . . . H1 H 0.724972 0.492161 0.744601 0.090 Uiso 1 1 calc R U . . . N1 N 0.69482(13) 0.3583(5) 0.65118(18) 0.0420(8) Uani 1 1 d . . . . . N003 N 0.79100(13) 0.0800(6) 0.69153(19) 0.0508(9) Uani 1 1 d . . . . . H003 H 0.788544 0.212570 0.711984 0.061 Uiso 1 1 calc R U . . . C25 C 0.84274(15) -0.0129(7) 0.8177(2) 0.0411(10) Uani 1 1 d . . . . . C1 C 0.64854(17) 0.4881(7) 0.6387(2) 0.0440(10) Uani 1 1 d . . . . . H1A H 0.621759 0.459264 0.594900 0.053 Uiso 1 1 calc R U . . . C2 C 0.63610(15) 0.6761(7) 0.6892(2) 0.0396(10) Uani 1 1 d . . . . . C19 C 0.89158(16) -0.1022(7) 0.6916(2) 0.0380(9) Uani 1 1 d . . . . . C13 C 0.75521(16) 0.0337(7) 0.6231(2) 0.0405(10) Uani 1 1 d . . . . . C11 C 0.58469(16) 0.8214(7) 0.6708(2) 0.0439(10) Uani 1 1 d . . . . . C12 C 0.70646(16) 0.1766(7) 0.5997(2) 0.0431(10) Uani 1 1 d . . . . . C3 C 0.67572(17) 0.7271(7) 0.7543(2) 0.0452(11) Uani 1 1 d . . . . . C18 C 0.83209(16) -0.0793(7) 0.7307(2) 0.0429(10) Uani 1 1 d . . . . . H18 H 0.812327 -0.227703 0.728509 0.051 Uiso 1 1 calc R U . . . C6 C 0.57849(17) 1.0197(7) 0.7162(2) 0.0466(11) Uani 1 1 d . . . . . N2 N 0.82019(17) 0.1857(7) 0.8389(2) 0.0712(12) Uani 1 1 d . . . . . C14 C 0.76612(17) -0.1521(7) 0.5759(2) 0.0490(11) Uani 1 1 d . . . . . H14 H 0.797853 -0.249466 0.591089 0.059 Uiso 1 1 calc R U . . . C5 C 0.62155(19) 1.0645(8) 0.7802(3) 0.0544(12) Uani 1 1 d . . . . . H5 H 0.617845 1.195955 0.809598 0.065 Uiso 1 1 calc R U . . . C4 C 0.66779(19) 0.9225(8) 0.7998(2) 0.0525(11) Uani 1 1 d . . . . . H4 H 0.694502 0.953710 0.843428 0.063 Uiso 1 1 calc R U . . . C24 C 0.92289(18) -0.3027(7) 0.6976(2) 0.0534(12) Uani 1 1 d . . . . . H24 H 0.906913 -0.424112 0.724046 0.064 Uiso 1 1 calc R U . . . C10 C 0.53916(17) 0.7771(8) 0.6094(2) 0.0558(12) Uani 1 1 d . . . . . H10 H 0.541537 0.647134 0.578874 0.067 Uiso 1 1 calc R U . . . C20 C 0.91521(19) 0.0732(8) 0.6512(2) 0.0559(12) Uani 1 1 d . . . . . H20 H 0.894873 0.210844 0.647059 0.067 Uiso 1 1 calc R U . . . C15 C 0.73093(18) -0.1945(8) 0.5072(2) 0.0593(12) Uani 1 1 d . . . . . H15 H 0.738745 -0.320489 0.476751 0.071 Uiso 1 1 calc R U . . . C7 C 0.52983(19) 1.1695(8) 0.6979(3) 0.0593(12) Uani 1 1 d . . . . . H7 H 0.526896 1.301930 0.727016 0.071 Uiso 1 1 calc R U . . . C17 C 0.67275(19) 0.1312(9) 0.5293(3) 0.0667(14) Uani 1 1 d . . . . . H17 H 0.641264 0.227970 0.512550 0.080 Uiso 1 1 calc R U . . . C9 C 0.49168(19) 0.9230(9) 0.5946(3) 0.0685(14) Uani 1 1 d . . . . . H9 H 0.461850 0.889105 0.554736 0.082 Uiso 1 1 calc R U . . . C28 C 0.87216(19) -0.1579(9) 0.8711(3) 0.0667(14) Uani 1 1 d . . . . . H28 H 0.887641 -0.294298 0.854180 0.080 Uiso 1 1 calc R U . . . C8 C 0.4874(2) 1.1223(9) 0.6384(3) 0.0697(14) Uani 1 1 d . . . . . H8 H 0.455488 1.221939 0.626773 0.084 Uiso 1 1 calc R U . . . C22 C 1.0004(2) -0.1525(11) 0.6241(3) 0.0756(16) Uani 1 1 d . . . . . H22 H 1.036969 -0.169572 0.601390 0.091 Uiso 1 1 calc R U . . . C16 C 0.6845(2) -0.0523(9) 0.4836(3) 0.0783(16) Uani 1 1 d . . . . . H16 H 0.660978 -0.079955 0.436744 0.094 Uiso 1 1 calc R U . . . C21 C 0.9695(2) 0.0465(10) 0.6164(3) 0.0734(15) Uani 1 1 d . . . . . H21 H 0.984793 0.164843 0.587751 0.088 Uiso 1 1 calc R U . . . C23 C 0.9773(2) -0.3267(10) 0.6653(3) 0.0767(16) Uani 1 1 d . . . . . H23 H 0.998562 -0.461959 0.671496 0.092 Uiso 1 1 calc R U . . . C30 C 0.8557(3) 0.1016(14) 0.9729(3) 0.097(2) Uani 1 1 d . . . . . H30 H 0.859589 0.145362 1.025834 0.117 Uiso 1 1 calc R U . . . C29 C 0.8784(2) -0.0986(13) 0.9501(3) 0.0904(19) Uani 1 1 d . . . . . H29 H 0.898028 -0.194953 0.987115 0.108 Uiso 1 1 calc R U . . . C27 C 0.8272(3) 0.2368(11) 0.9174(4) 0.0900(19) Uani 1 1 d . . . . . H27 H 0.811497 0.373168 0.933920 0.108 Uiso 1 1 calc R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 O1 0.0472(18) 0.059(2) 0.072(2) 0.0033(17) -0.0091(15) 0.0074(16) N1 0.0303(18) 0.045(2) 0.051(2) 0.0071(18) 0.0073(15) 0.0059(16) N003 0.045(2) 0.049(2) 0.055(2) -0.0089(19) -0.0132(17) 0.0168(17) C25 0.022(2) 0.054(3) 0.047(3) 0.000(2) 0.0006(17) -0.0022(19) C1 0.035(2) 0.056(3) 0.041(2) 0.006(2) 0.0069(18) 0.000(2) C2 0.028(2) 0.047(3) 0.045(2) 0.007(2) 0.0083(18) -0.0013(19) C19 0.036(2) 0.038(2) 0.039(2) -0.004(2) -0.0065(17) 0.0044(19) C13 0.028(2) 0.055(3) 0.038(2) -0.001(2) 0.0045(17) -0.0010(19) C11 0.031(2) 0.054(3) 0.048(3) 0.012(2) 0.0124(19) 0.002(2) C12 0.030(2) 0.053(3) 0.046(3) 0.003(2) 0.0043(18) 0.000(2) C3 0.037(2) 0.048(3) 0.051(3) 0.014(2) 0.005(2) 0.000(2) C18 0.036(2) 0.041(2) 0.050(3) 0.000(2) -0.0029(18) 0.0011(19) C6 0.040(2) 0.043(3) 0.059(3) 0.012(2) 0.013(2) 0.003(2) N2 0.071(3) 0.071(3) 0.072(3) -0.024(2) 0.006(2) 0.004(2) C14 0.038(2) 0.059(3) 0.049(3) -0.003(2) 0.004(2) 0.004(2) C5 0.056(3) 0.048(3) 0.061(3) 0.000(2) 0.015(2) -0.009(2) C4 0.051(3) 0.055(3) 0.051(3) 0.007(2) 0.003(2) -0.010(2) C24 0.052(3) 0.048(3) 0.061(3) 0.000(2) 0.008(2) 0.009(2) C10 0.041(3) 0.070(3) 0.056(3) 0.001(2) 0.003(2) 0.010(2) C20 0.057(3) 0.053(3) 0.058(3) 0.000(2) 0.007(2) 0.000(2) C15 0.053(3) 0.072(3) 0.051(3) -0.016(3) -0.003(2) 0.007(3) C7 0.054(3) 0.052(3) 0.074(3) 0.008(3) 0.016(2) 0.010(2) C17 0.057(3) 0.080(4) 0.060(3) -0.010(3) -0.019(2) 0.028(3) C9 0.046(3) 0.091(4) 0.067(3) 0.014(3) -0.003(2) 0.023(3) C28 0.062(3) 0.092(4) 0.047(3) 0.012(3) 0.011(2) 0.019(3) C8 0.052(3) 0.067(4) 0.092(4) 0.012(3) 0.015(3) 0.019(3) C22 0.045(3) 0.104(5) 0.080(4) -0.035(4) 0.016(3) -0.007(3) C16 0.063(3) 0.103(4) 0.065(3) -0.031(3) -0.023(3) 0.021(3) C21 0.075(4) 0.080(4) 0.067(3) -0.004(3) 0.021(3) -0.020(3) C23 0.057(3) 0.077(4) 0.096(4) -0.023(3) 0.000(3) 0.020(3) C30 0.083(5) 0.159(7) 0.051(4) -0.022(4) 0.010(3) -0.050(5) C29 0.072(4) 0.143(6) 0.056(4) 0.023(4) 0.005(3) 0.000(4) C27 0.095(4) 0.095(5) 0.082(4) -0.046(4) 0.023(4) -0.025(4) 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 C3 O1 H1 109.5 . . ? C1 N1 C12 122.1(3) . . ? C13 N003 C18 124.2(3) . . ? C13 N003 H003 117.9 . . ? C18 N003 H003 117.9 . . ? N2 C25 C28 122.7(4) . . ? N2 C25 C18 116.9(4) . . ? C28 C25 C18 120.4(4) . . ? N1 C1 C2 123.3(4) . . ? N1 C1 H1A 118.3 . . ? C2 C1 H1A 118.3 . . ? C3 C2 C1 120.0(4) . . ? C3 C2 C11 118.9(4) . . ? C1 C2 C11 121.0(4) . . ? C20 C19 C24 118.7(4) . . ? C20 C19 C18 121.8(4) . . ? C24 C19 C18 119.5(4) . . ? N003 C13 C14 121.7(4) . . ? N003 C13 C12 119.9(4) . . ? C14 C13 C12 118.4(4) . . ? C6 C11 C10 117.3(4) . . ? C6 C11 C2 118.9(4) . . ? C10 C11 C2 123.8(4) . . ? C17 C12 C13 118.7(4) . . ? C17 C12 N1 124.4(4) . . ? C13 C12 N1 117.0(3) . . ? O1 C3 C2 122.2(4) . . ? O1 C3 C4 116.9(4) . . ? C2 C3 C4 121.0(4) . . ? N003 C18 C25 108.9(3) . . ? N003 C18 C19 113.3(3) . . ? C25 C18 C19 111.5(3) . . ? N003 C18 H18 107.6 . . ? C25 C18 H18 107.6 . . ? C19 C18 H18 107.6 . . ? C7 C6 C5 120.8(4) . . ? C7 C6 C11 120.3(4) . . ? C5 C6 C11 119.0(4) . . ? C25 N2 C27 116.1(5) . . ? C15 C14 C13 121.2(4) . . ? C15 C14 H14 119.4 . . ? C13 C14 H14 119.4 . . ? C4 C5 C6 122.0(4) . . ? C4 C5 H5 119.0 . . ? C6 C5 H5 119.0 . . ? C5 C4 C3 120.1(4) . . ? C5 C4 H4 120.0 . . ? C3 C4 H4 120.0 . . ? C23 C24 C19 121.0(4) . . ? C23 C24 H24 119.5 . . ? C19 C24 H24 119.5 . . ? C9 C10 C11 120.9(4) . . ? C9 C10 H10 119.5 . . ? C11 C10 H10 119.5 . . ? C19 C20 C21 120.2(4) . . ? C19 C20 H20 119.9 . . ? C21 C20 H20 119.9 . . ? C16 C15 C14 120.2(4) . . ? C16 C15 H15 119.9 . . ? C14 C15 H15 119.9 . . ? C8 C7 C6 120.7(5) . . ? C8 C7 H7 119.6 . . ? C6 C7 H7 119.6 . . ? C16 C17 C12 121.8(4) . . ? C16 C17 H17 119.1 . . ? C12 C17 H17 119.1 . . ? C10 C9 C8 121.0(5) . . ? C10 C9 H9 119.5 . . ? C8 C9 H9 119.5 . . ? C25 C28 C29 119.2(5) . . ? C25 C28 H28 120.4 . . ? C29 C28 H28 120.4 . . ? C7 C8 C9 119.8(4) . . ? C7 C8 H8 120.1 . . ? C9 C8 H8 120.1 . . ? C21 C22 C23 119.6(5) . . ? C21 C22 H22 120.2 . . ? C23 C22 H22 120.2 . . ? C15 C16 C17 119.6(4) . . ? C15 C16 H16 120.2 . . ? C17 C16 H16 120.2 . . ? C22 C21 C20 120.2(5) . . ? C22 C21 H21 119.9 . . ? C20 C21 H21 119.9 . . ? C22 C23 C24 120.2(5) . . ? C22 C23 H23 119.9 . . ? C24 C23 H23 119.9 . . ? C27 C30 C29 118.7(6) . . ? C27 C30 H30 120.6 . . ? C29 C30 H30 120.6 . . ? C30 C29 C28 119.1(6) . . ? C30 C29 H29 120.4 . . ? C28 C29 H29 120.4 . . ? C30 C27 N2 124.1(6) . . ? C30 C27 H27 117.9 . . ? N2 C27 H27 117.9 . . ? 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 C3 1.332(4) . ? O1 H1 0.8200 . ? N1 C1 1.286(4) . ? N1 C12 1.419(5) . ? N003 C13 1.381(4) . ? N003 C18 1.437(4) . ? N003 H003 0.8600 . ? C25 N2 1.336(5) . ? C25 C28 1.374(5) . ? C25 C18 1.525(5) . ? C1 C2 1.441(5) . ? C1 H1A 0.9300 . ? C2 C3 1.390(5) . ? C2 C11 1.442(5) . ? C19 C20 1.368(5) . ? C19 C24 1.374(5) . ? C19 C18 1.527(5) . ? C13 C14 1.391(5) . ? C13 C12 1.405(5) . ? C11 C6 1.415(5) . ? C11 C10 1.417(5) . ? C12 C17 1.385(5) . ? C3 C4 1.407(5) . ? C18 H18 0.9800 . ? C6 C7 1.412(5) . ? C6 C5 1.413(5) . ? N2 C27 1.361(6) . ? C14 C15 1.373(5) . ? C14 H14 0.9300 . ? C5 C4 1.347(5) . ? C5 H5 0.9300 . ? C4 H4 0.9300 . ? C24 C23 1.370(6) . ? C24 H24 0.9300 . ? C10 C9 1.369(5) . ? C10 H10 0.9300 . ? C20 C21 1.390(6) . ? C20 H20 0.9300 . ? C15 C16 1.366(6) . ? C15 H15 0.9300 . ? C7 C8 1.354(6) . ? C7 H7 0.9300 . ? C17 C16 1.368(6) . ? C17 H17 0.9300 . ? C9 C8 1.400(6) . ? C9 H9 0.9300 . ? C28 C29 1.380(7) . ? C28 H28 0.9300 . ? C8 H8 0.9300 . ? C22 C21 1.362(7) . ? C22 C23 1.366(7) . ? C22 H22 0.9300 . ? C16 H16 0.9300 . ? C21 H21 0.9300 . ? C23 H23 0.9300 . ? C30 C27 1.353(8) . ? C30 C29 1.355(8) . ? C30 H30 0.9300 . ? C29 H29 0.9300 . ? C27 H27 0.9300 . ?