#------------------------------------------------------------------------------ #$Date: 2025-08-22 00:24:23 +0200 (Fri, 22 Aug 2025) $ #$Revision: 301857 $ #$URL: svn://www.crystallography.net/cod/cif/7/11/21/7112167.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_7112167 loop_ _publ_author_name 'Lenard Hussein' 'Nibadita Purkait' 'Mustafa Biyikal' 'Eugenia Tausch' 'Peter W. Roesky' 'Siegfried Blechert' _publ_section_title ; Highly enantioselective hydroamination to six-membered rings by heterobimetallic catalysts ; _journal_name_full Chem.Commun. _journal_page_first 3862 _journal_paper_doi 10.1039/C3CC48874H _journal_volume 50 _journal_year 2014 _chemical_absolute_configuration rmad _chemical_formula_moiety 'C38 H44 N4 O3 S Zn' _chemical_formula_sum 'C38 H44 N4 O3 S Zn' _chemical_formula_weight 702.20 _space_group_crystal_system orthorhombic _space_group_IT_number 19 _space_group_name_Hall 'P 2ac 2ab' _space_group_name_H-M_alt 'P 21 21 21' _symmetry_space_group_name_Hall 'P 2ac 2ab' _symmetry_space_group_name_H-M 'P 21 21 21' _atom_sites_solution_hydrogens geom _audit_creation_date 2013-10-07 _audit_creation_method ; Olex2 1.2 (compiled 2013.09.17 svn.r2790 for OlexSys, GUI svn.r4601) ; _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_formula_units_Z 4 _cell_length_a 8.1989(6) _cell_length_b 11.6090(7) _cell_length_c 36.4888(22) _cell_measurement_reflns_used 4501 _cell_measurement_temperature 100 _cell_measurement_theta_max 23.31 _cell_measurement_theta_min 1.12 _cell_volume 3473.0(4) _computing_molecular_graphics ; O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann, OLEX2: a complete structure solution, refinement and analysis program. J. Appl. Cryst. (2009). 42, 339-341. ; _computing_publication_material ; O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann, OLEX2: a complete structure solution, refinement and analysis program. J. Appl. Cryst. (2009). 42, 339-341. ; _computing_structure_refinement ; SHELX, G.M. Sheldrick, Acta Cryst. (2008). A64, 112-122 ; _diffrn_ambient_temperature 100 _diffrn_detector_area_resol_mean 5.81 _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.999 _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.1743 _diffrn_reflns_av_unetI/netI 0.2410 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.999 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_l_max 27 _diffrn_reflns_limit_l_min -43 _diffrn_reflns_number 22651 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 1.000 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 25.250 _diffrn_reflns_theta_min 1.116 _diffrn_source 'Mo LFF Sealed Tube' _exptl_absorpt_coefficient_mu 0.810 _exptl_absorpt_correction_type none _exptl_crystal_colour colorless _exptl_crystal_density_diffrn 1.343 _exptl_crystal_F_000 1480 _exptl_crystal_size_max 0.134 _exptl_crystal_size_mid 0.103 _exptl_crystal_size_min 0.101 _refine_diff_density_max 0.875 _refine_diff_density_min -0.703 _refine_diff_density_rms 0.095 _refine_ls_abs_structure_details ; Flack x determined using 857 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons and Flack (2004), Acta Cryst. A60, s61). ; _refine_ls_abs_structure_Flack 0.03(3) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 0.806 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 436 _refine_ls_number_reflns 6272 _refine_ls_number_restraints 6 _refine_ls_restrained_S_all 0.806 _refine_ls_R_factor_all 0.1339 _refine_ls_R_factor_gt 0.0657 _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^)] where P=(Fo^2^+2Fc^2^)/3 ; _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1230 _refine_ls_wR_factor_ref 0.1418 _reflns_Friedel_coverage 0.754 _reflns_Friedel_fraction_full 1.000 _reflns_Friedel_fraction_max 1.000 _reflns_number_gt 3087 _reflns_number_total 6272 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file c3cc48874h2.cif _cod_data_source_block Zn2 _cod_original_cell_volume 3473.1(4) _cod_database_code 7112167 #BEGIN Tags that were not found in dictionaries: _shelxl_version_number 2013-2 _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. ; _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups, All N(H) groups At 1.5 times of: All C(H,H,H) groups 2. Uiso/Uaniso restraints and constraints Uanis(C4) \\sim Ueq: with sigma of 0.006 and sigma for terminal atoms of 0.012 3. Others Fixed Sof: H29(0.35) H29A(0.65) C30A(0.35) H30A(0.65) H30B(0.65) H30C(0.65) C30B(0.65) H30D(0.35) H30E(0.35) H30F(0.35) 4.a Ternary CH refined with riding coordinates: C1(H1), C2(H2), C14(H14), C29(H29), C29(H29A) 4.b Secondary CH2 refined with riding coordinates: C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B) 4.c Me refined with riding coordinates: C30A(H30A,H30B,H30C), C30B(H30D,H30E,H30F) 4.d Aromatic/amide H refined with riding coordinates: C7(H7), C11(H11), C12(H12), C13(H13), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C26(H26), C27(H27), C28(H28), C32(H32), C33(H33), C34(H34), C35(H35), C36(H36), N3(H3), N4(H4) 4.e Idealised Me refined as rotating group: C15(H15A,H15B,H15C), C37(H37A,H37B,H37C), C38(H38A,H38B,H38C) ; _shelx_res_file ; TITL ET52P212121 in P212121 #19 CELL 0.71073 8.1985 11.6105 36.4892 90 90 90 ZERR 4 0.0006 0.0007 0.0022 0 0 0 LATT -1 SYMM 0.5-X,-Y,0.5+Z SYMM 0.5+X,0.5-Y,-Z SYMM -X,0.5+Y,0.5-Z SFAC C H N O S Zn UNIT 152 176 16 12 4 4 ISOR 0.006 0.012 C4 L.S. 10 PLAN 10 BOND fmap 2 acta temp MERG 2 REM C:/Users/Eugenia/Desktop/Promotion/Kristallstrukturen/ET52/ET52P21212 REM 1.hkl WGHT 0.000000 FVAR 0.35923 C1 1 0.476370 0.955930 0.491888 11.00000 0.02223 0.02178 = 0.02390 0.00571 0.00399 0.00204 AFIX 13 H1 2 0.357834 0.964124 0.494168 11.00000 -1.20000 AFIX 0 C2 1 0.500848 0.833392 0.476739 11.00000 0.01437 0.03401 = 0.01788 0.00774 0.00539 0.00811 AFIX 13 H2 2 0.616362 0.825668 0.470285 11.00000 -1.20000 AFIX 0 C3 1 0.403910 0.817433 0.442061 11.00000 0.04020 0.02145 = 0.03328 -0.00790 -0.00086 0.00447 AFIX 23 H3A 2 0.288645 0.825270 0.447514 11.00000 -1.20000 H3B 2 0.422005 0.740348 0.432652 11.00000 -1.20000 AFIX 0 C4 1 0.451379 0.904822 0.413007 11.00000 0.04639 0.02862 = 0.02702 0.00271 -0.00323 0.00502 AFIX 23 H4A 2 0.382423 0.894925 0.391637 11.00000 -1.20000 H4B 2 0.563483 0.891732 0.405598 11.00000 -1.20000 AFIX 0 C5 1 0.433460 1.028867 0.427611 11.00000 0.03475 0.02525 = 0.02904 0.00454 0.00024 0.01203 AFIX 23 H5A 2 0.474374 1.082453 0.409406 11.00000 -1.20000 H5B 2 0.318836 1.045540 0.431516 11.00000 -1.20000 AFIX 0 C6 1 0.525094 1.046244 0.463090 11.00000 0.02188 0.02446 = 0.02664 0.00150 0.00260 -0.00047 AFIX 23 H6A 2 0.502351 1.122669 0.472536 11.00000 -1.20000 H6B 2 0.641361 1.040955 0.458463 11.00000 -1.20000 AFIX 0 C7 1 0.641377 1.042472 0.538944 11.00000 0.03963 0.02364 = 0.01980 0.00542 0.00367 0.00601 AFIX 43 H7 2 0.675343 1.095897 0.521556 11.00000 -1.20000 AFIX 0 C8 1 0.709096 1.052407 0.574965 11.00000 0.05013 0.01959 = 0.02142 -0.00016 0.00797 -0.00456 C9 1 0.683284 0.973138 0.604176 11.00000 0.04005 0.02000 = 0.02437 -0.00205 -0.00174 0.00626 C10 1 0.749270 0.994543 0.639117 11.00000 0.05153 0.02666 = 0.02329 0.00230 -0.00010 -0.01316 C11 1 0.843926 1.089273 0.645201 11.00000 0.03003 0.03872 = 0.02812 -0.01004 -0.00115 -0.00692 AFIX 43 H11 2 0.887796 1.102186 0.668343 11.00000 -1.20000 AFIX 0 C12 1 0.875995 1.168798 0.616161 11.00000 0.03028 0.01926 = 0.03165 0.00385 0.00724 0.00082 AFIX 43 H12 2 0.940987 1.233168 0.620264 11.00000 -1.20000 AFIX 0 C13 1 0.811065 1.149534 0.582765 11.00000 0.02945 0.01972 = 0.03023 -0.00088 0.00294 0.00174 AFIX 43 H13 2 0.833419 1.201462 0.564021 11.00000 -1.20000 AFIX 0 C14 1 0.753820 0.911711 0.703469 11.00000 0.06557 0.02991 = 0.02199 -0.00398 0.00218 -0.00581 AFIX 13 H14 2 0.777958 0.989994 0.711922 11.00000 -1.20000 AFIX 0 C15 1 0.623292 0.866061 0.727709 11.00000 0.05758 0.10649 = 0.05238 0.03494 0.02645 0.03084 AFIX 137 H15A 2 0.590807 0.791120 0.719325 11.00000 -1.50000 H15B 2 0.531143 0.917043 0.727115 11.00000 -1.50000 H15C 2 0.663606 0.860529 0.752347 11.00000 -1.50000 AFIX 0 C16 1 0.907147 0.842909 0.708166 11.00000 0.03286 0.04878 = 0.03580 0.00086 0.01218 -0.01707 C17 1 0.918225 0.735489 0.689468 11.00000 0.05690 0.04802 = 0.11361 -0.00463 0.03499 0.00888 AFIX 43 H17 2 0.833819 0.714662 0.673783 11.00000 -1.20000 AFIX 0 C18 1 1.043959 0.663070 0.693341 11.00000 0.07670 0.08911 = 0.10585 0.01728 0.03375 -0.00214 AFIX 43 H18 2 1.046580 0.595524 0.679655 11.00000 -1.20000 AFIX 0 C19 1 1.165662 0.686025 0.716488 11.00000 0.05798 0.08527 = 0.10859 0.02336 0.02095 0.03737 AFIX 43 H19 2 1.250117 0.633464 0.719620 11.00000 -1.20000 AFIX 0 C20 1 1.165336 0.790745 0.736208 11.00000 0.02643 0.12495 = 0.08368 0.02507 0.00037 -0.00853 AFIX 43 H20 2 1.251251 0.808570 0.751854 11.00000 -1.20000 AFIX 0 C21 1 1.033170 0.868597 0.732010 11.00000 0.04741 0.07656 = 0.05421 0.02028 -0.01738 -0.02379 AFIX 43 H21 2 1.031299 0.936931 0.745301 11.00000 -1.20000 AFIX 0 C22 1 0.472946 0.642533 0.499639 11.00000 0.02217 0.02660 = 0.03260 0.00196 -0.00275 0.00035 AFIX 43 H22 2 0.481293 0.620632 0.475195 11.00000 -1.20000 AFIX 0 C23 1 0.466491 0.551858 0.525719 11.00000 0.01961 0.02977 = 0.02799 0.00011 -0.00449 0.00215 C24 1 0.456880 0.566963 0.563681 11.00000 0.03661 0.03168 = 0.03480 0.00467 0.00147 -0.00569 C25 1 0.463062 0.469353 0.586999 11.00000 0.02422 0.03302 = 0.03841 0.00475 -0.00956 -0.01644 C26 1 0.471225 0.358150 0.572624 11.00000 0.02342 0.02347 = 0.05876 0.00877 0.00117 -0.00175 AFIX 43 H26 2 0.470198 0.294567 0.588123 11.00000 -1.20000 AFIX 0 C27 1 0.480940 0.343395 0.534755 11.00000 0.02985 0.01140 = 0.06547 0.00393 0.00236 0.00255 AFIX 43 H27 2 0.487891 0.269601 0.524966 11.00000 -1.20000 AFIX 0 C28 1 0.480300 0.437147 0.511856 11.00000 0.02372 0.02651 = 0.03897 -0.00583 0.00041 0.00297 AFIX 43 H28 2 0.489065 0.425763 0.486705 11.00000 -1.20000 AFIX 0 C29 1 0.530909 0.413516 0.650015 11.00000 0.04692 0.09414 = 0.03532 0.02359 -0.00462 -0.03801 PART 1 AFIX 13 H29 2 0.635704 0.379549 0.642936 10.35000 -1.20000 AFIX 13 PART 0 PART 2 H29A 2 0.606197 0.365254 0.635896 10.65000 -1.20000 AFIX 0 PART 0 PART 1 C30A 1 0.544960 0.516843 0.686039 10.35000 0.10753 0.10933 = 0.03169 0.02500 0.00481 -0.07877 AFIX 33 H30A 2 0.622432 0.575275 0.679443 10.65000 -1.50000 H30B 2 0.579931 0.479359 0.708134 10.65000 -1.50000 H30C 2 0.440082 0.551518 0.689932 10.65000 -1.50000 AFIX 0 PART 0 PART 2 C30B 1 0.636553 0.466493 0.678733 10.65000 0.05016 0.07355 = 0.04438 0.02365 -0.02256 -0.03725 AFIX 33 H30D 2 0.712670 0.518281 0.667413 10.35000 -1.50000 H30E 2 0.695068 0.407069 0.691453 10.35000 -1.50000 H30F 2 0.569887 0.508213 0.695809 10.35000 -1.50000 AFIX 0 PART 0 C31 1 0.413420 0.329937 0.665824 11.00000 0.03578 0.03393 = 0.01387 0.00100 0.00381 -0.00080 C32 1 0.248474 0.352447 0.669087 11.00000 0.03940 0.01755 = 0.06703 -0.01348 0.00865 -0.00580 AFIX 43 H32 2 0.210162 0.420489 0.658755 11.00000 -1.20000 AFIX 0 C33 1 0.140382 0.285727 0.685608 11.00000 0.04068 0.08831 = 0.05468 -0.03885 0.01477 -0.02483 AFIX 43 H33 2 0.031100 0.306995 0.686559 11.00000 -1.20000 AFIX 0 C34 1 0.190698 0.186726 0.701009 11.00000 0.09949 0.07866 = 0.05143 0.01453 -0.01179 -0.04282 AFIX 43 H34 2 0.115759 0.141251 0.713527 11.00000 -1.20000 AFIX 0 C35 1 0.346391 0.151965 0.698752 11.00000 0.14337 0.01774 = 0.03389 0.00030 -0.02043 -0.00599 AFIX 43 H35 2 0.377947 0.081840 0.708824 11.00000 -1.20000 AFIX 0 C36 1 0.465729 0.224946 0.680393 11.00000 0.07588 0.02662 = 0.03842 -0.00144 -0.00541 0.02399 AFIX 43 H36 2 0.574130 0.202177 0.678420 11.00000 -1.20000 AFIX 0 C37 1 0.218627 0.894951 0.637168 11.00000 0.04824 0.07888 = 0.03487 -0.00036 0.00979 -0.00135 AFIX 137 H37A 2 0.181752 0.816736 0.639208 11.00000 -1.50000 H37B 2 0.174213 0.939617 0.656932 11.00000 -1.50000 H37C 2 0.335578 0.896891 0.638318 11.00000 -1.50000 AFIX 0 C38 1 0.266043 1.083008 0.596150 11.00000 0.04840 0.01969 = 0.08136 -0.00269 0.00966 -0.00823 AFIX 137 H38A 2 0.378625 1.066491 0.601120 11.00000 -1.50000 H38B 2 0.223496 1.132337 0.614975 11.00000 -1.50000 H38C 2 0.256951 1.120780 0.572836 11.00000 -1.50000 AFIX 0 N1 3 0.534686 0.963905 0.528243 11.00000 0.04613 0.01742 = 0.02622 -0.00314 -0.01090 0.01134 N2 3 0.468501 0.753231 0.506053 11.00000 0.01347 0.03447 = 0.01981 0.00351 0.00427 0.00328 N3 3 0.696815 0.921507 0.666362 11.00000 0.07075 0.05872 = 0.02376 0.01695 -0.01129 -0.03486 AFIX 43 H3 2 0.619230 0.875362 0.660361 11.00000 -1.20000 AFIX 0 N4 3 0.464974 0.488369 0.623826 11.00000 0.08192 0.04557 = 0.03262 0.00554 -0.00288 -0.00862 AFIX 43 H4 2 0.422248 0.551422 0.631624 11.00000 -1.20000 AFIX 0 O1 4 0.588969 0.880599 0.600644 11.00000 0.05378 0.01644 = 0.03102 0.00713 -0.00705 -0.00354 O2 4 0.448374 0.668019 0.579862 11.00000 0.05396 0.01466 = 0.03798 -0.00543 0.00044 -0.00853 O3 4 0.230388 0.881699 0.565457 11.00000 0.03371 0.04160 = 0.02655 -0.00674 0.00392 -0.01477 S 5 0.153511 0.952667 0.595258 11.00000 0.03530 0.03217 = 0.03314 -0.00765 0.00717 -0.01126 ZN 6 0.465670 0.820916 0.558567 11.00000 0.04061 0.01953 = 0.02306 -0.00066 0.00254 -0.00520 HKLF 4 REM ET52P212121 in P212121 #19 REM R1 = 0.0657 for 3087 Fo > 4sig(Fo) and 0.1339 for all 6272 data REM 436 parameters refined using 6 restraints END WGHT 0.0003 0.0000 REM Highest difference peak 0.875, deepest hole -0.703, 1-sigma level 0.095 Q1 1 0.4686 0.8172 0.5292 11.00000 0.05 0.87 Q2 1 0.4618 0.8172 0.5873 11.00000 0.05 0.86 Q3 1 0.4574 0.6802 0.5495 11.00000 0.05 0.79 Q4 1 0.4656 0.9640 0.5537 11.00000 0.05 0.69 Q5 1 0.4669 0.6596 0.6069 11.00000 0.05 0.44 Q6 1 0.3575 0.6716 0.5810 11.00000 0.05 0.44 Q7 1 0.1605 0.9479 0.6233 11.00000 0.05 0.44 Q8 1 0.1491 0.8145 0.6060 11.00000 0.05 0.43 Q9 1 0.4329 0.8869 0.3866 11.00000 0.05 0.40 Q10 1 0.1383 1.1050 0.5927 11.00000 0.05 0.39 REM The information below was added by Olex2. REM REM R1 = 0.0657 for 3087 Fo > 4sig(Fo) and 0.1339 for all 22651 data REM n/a parameters refined using n/a restraints REM Highest difference peak 0.87, deepest hole -0.70 REM Mean Shift 0, Max Shift 0. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.1339 REM R1_gt = 0.0657 REM wR_ref = 0.1418 REM GOOF = 0.806 REM Shift_max = 0 REM Shift_mean = 0 REM Reflections_all = 22651 REM Reflections_gt = 3087 REM Parameters = n/a REM Hole = -0.70 REM Peak = 0.87 REM Flack = n/a ; #END Tags that were not found in dictionaries loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y, z+1/2' 'x+1/2, -y+1/2, -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 C1 C 0.4764(15) 0.9559(8) 0.4919(3) 0.023(2) Uani 1 1 d . . . . . H1 H 0.3578 0.9641 0.4942 0.027 Uiso 1 1 calc R U . . . C2 C 0.5008(11) 0.8334(9) 0.4767(2) 0.022(2) Uani 1 1 d . . . . . H2 H 0.6164 0.8257 0.4703 0.027 Uiso 1 1 calc R U . . . C3 C 0.4039(12) 0.8174(10) 0.4421(3) 0.032(2) Uani 1 1 d . . . . . H3A H 0.2886 0.8253 0.4475 0.038 Uiso 1 1 calc R U . . . H3B H 0.4220 0.7403 0.4327 0.038 Uiso 1 1 calc R U . . . C4 C 0.4514(18) 0.9048(9) 0.4130(3) 0.034(3) Uani 1 1 d . U . . . H4A H 0.3824 0.8949 0.3916 0.041 Uiso 1 1 calc R U . . . H4B H 0.5635 0.8917 0.4056 0.041 Uiso 1 1 calc R U . . . C5 C 0.4335(15) 1.0289(9) 0.4276(3) 0.030(3) Uani 1 1 d . . . . . H5A H 0.4744 1.0825 0.4094 0.036 Uiso 1 1 calc R U . . . H5B H 0.3188 1.0455 0.4315 0.036 Uiso 1 1 calc R U . . . C6 C 0.5251(15) 1.0462(9) 0.4631(3) 0.024(2) Uani 1 1 d . . . . . H6A H 0.5024 1.1227 0.4725 0.029 Uiso 1 1 calc R U . . . H6B H 0.6414 1.0410 0.4585 0.029 Uiso 1 1 calc R U . . . C7 C 0.6414(15) 1.0425(10) 0.5389(3) 0.028(3) Uani 1 1 d . . . . . H7 H 0.6753 1.0959 0.5216 0.033 Uiso 1 1 calc R U . . . C8 C 0.7091(16) 1.0524(10) 0.5750(3) 0.030(3) Uani 1 1 d . . . . . C9 C 0.6833(15) 0.9731(9) 0.6042(3) 0.028(3) Uani 1 1 d . . . . . C10 C 0.7493(17) 0.9945(10) 0.6391(3) 0.034(3) Uani 1 1 d . . . . . C11 C 0.8439(16) 1.0893(11) 0.6452(3) 0.032(3) Uani 1 1 d . . . . . H11 H 0.8878 1.1022 0.6683 0.039 Uiso 1 1 calc R U . . . C12 C 0.8760(13) 1.1688(10) 0.6162(3) 0.027(2) Uani 1 1 d . . . . . H12 H 0.9410 1.2332 0.6203 0.032 Uiso 1 1 calc R U . . . C13 C 0.8111(13) 1.1495(9) 0.5828(3) 0.026(3) Uani 1 1 d . . . . . H13 H 0.8334 1.2015 0.5640 0.032 Uiso 1 1 calc R U . . . C14 C 0.7538(18) 0.9117(11) 0.7035(3) 0.039(3) Uani 1 1 d . . . . . H14 H 0.7780 0.9900 0.7119 0.047 Uiso 1 1 calc R U . . . C15 C 0.623(2) 0.8661(16) 0.7277(4) 0.072(6) Uani 1 1 d . . . . . H15A H 0.5908 0.7911 0.7193 0.108 Uiso 1 1 calc R U . . . H15B H 0.5311 0.9170 0.7271 0.108 Uiso 1 1 calc R U . . . H15C H 0.6636 0.8605 0.7523 0.108 Uiso 1 1 calc R U . . . C16 C 0.9071(15) 0.8429(12) 0.7082(3) 0.039(3) Uani 1 1 d . . . . . C17 C 0.918(2) 0.7355(14) 0.6895(5) 0.073(6) Uani 1 1 d . . . . . H17 H 0.8338 0.7147 0.6738 0.087 Uiso 1 1 calc R U . . . C18 C 1.044(3) 0.6631(19) 0.6933(6) 0.091(6) Uani 1 1 d . . . . . H18 H 1.0466 0.5955 0.6797 0.109 Uiso 1 1 calc R U . . . C19 C 1.166(2) 0.686(2) 0.7165(6) 0.084(6) Uani 1 1 d . . . . . H19 H 1.2501 0.6335 0.7196 0.101 Uiso 1 1 calc R U . . . C20 C 1.165(2) 0.7907(19) 0.7362(5) 0.078(6) Uani 1 1 d . . . . . H20 H 1.2513 0.8086 0.7519 0.094 Uiso 1 1 calc R U . . . C21 C 1.033(2) 0.8686(13) 0.7320(4) 0.059(4) Uani 1 1 d . . . . . H21 H 1.0313 0.9369 0.7453 0.071 Uiso 1 1 calc R U . . . C22 C 0.4729(16) 0.6425(8) 0.4996(3) 0.027(3) Uani 1 1 d . . . . . H22 H 0.4813 0.6206 0.4752 0.033 Uiso 1 1 calc R U . . . C23 C 0.4665(15) 0.5519(9) 0.5257(3) 0.026(2) Uani 1 1 d . . . . . C24 C 0.4569(17) 0.5670(9) 0.5637(3) 0.034(3) Uani 1 1 d . . . . . C25 C 0.4631(16) 0.4694(9) 0.5870(3) 0.032(3) Uani 1 1 d . . . . . C26 C 0.4712(15) 0.3581(9) 0.5726(3) 0.035(3) Uani 1 1 d . . . . . H26 H 0.4702 0.2946 0.5881 0.042 Uiso 1 1 calc R U . . . C27 C 0.4809(15) 0.3434(8) 0.5348(3) 0.036(3) Uani 1 1 d . . . . . H27 H 0.4879 0.2696 0.5250 0.043 Uiso 1 1 calc R U . . . C28 C 0.4803(15) 0.4371(8) 0.5119(3) 0.030(3) Uani 1 1 d . . . . . H28 H 0.4891 0.4258 0.4867 0.036 Uiso 1 1 calc R U . . . C29 C 0.531(2) 0.4135(13) 0.6500(3) 0.059(4) Uani 1 1 d . . . . . H29 H 0.6357 0.3795 0.6429 0.071 Uiso 0.35 1 calc R U P A 1 H29A H 0.6062 0.3653 0.6359 0.071 Uiso 0.65 1 calc R U P A 2 C30A C 0.545(8) 0.517(5) 0.6860(14) 0.08(2) Uani 0.35 1 d . . P B 1 H30A H 0.6224 0.5753 0.6794 0.124 Uiso 0.65 1 calc R U P B 1 H30B H 0.5799 0.4794 0.7081 0.124 Uiso 0.65 1 calc R U P B 1 H30C H 0.4401 0.5515 0.6899 0.124 Uiso 0.65 1 calc R U P B 1 C30B C 0.637(4) 0.466(3) 0.6787(8) 0.056(9) Uani 0.65 1 d . . P B 2 H30D H 0.7127 0.5183 0.6674 0.084 Uiso 0.35 1 calc R U P B 2 H30E H 0.6951 0.4071 0.6915 0.084 Uiso 0.35 1 calc R U P B 2 H30F H 0.5699 0.5082 0.6958 0.084 Uiso 0.35 1 calc R U P B 2 C31 C 0.4134(13) 0.3299(11) 0.6658(3) 0.028(3) Uani 1 1 d . . . . . C32 C 0.2485(16) 0.3524(10) 0.6691(4) 0.041(3) Uani 1 1 d . . . . . H32 H 0.2102 0.4205 0.6588 0.050 Uiso 1 1 calc R U . . . C33 C 0.1404(19) 0.2857(15) 0.6856(4) 0.061(5) Uani 1 1 d . . . . . H33 H 0.0311 0.3070 0.6866 0.073 Uiso 1 1 calc R U . . . C34 C 0.191(3) 0.187(2) 0.7010(4) 0.077(5) Uani 1 1 d . . . . . H34 H 0.1158 0.1413 0.7135 0.092 Uiso 1 1 calc R U . . . C35 C 0.346(3) 0.1520(11) 0.6988(4) 0.065(5) Uani 1 1 d . . . . . H35 H 0.3779 0.0818 0.7088 0.078 Uiso 1 1 calc R U . . . C36 C 0.466(2) 0.2249(9) 0.6804(3) 0.047(3) Uani 1 1 d . . . . . H36 H 0.5741 0.2022 0.6784 0.056 Uiso 1 1 calc R U . . . C37 C 0.2186(18) 0.8950(13) 0.6372(3) 0.054(4) Uani 1 1 d . . . . . H37A H 0.1818 0.8167 0.6392 0.081 Uiso 1 1 calc R U . . . H37B H 0.1742 0.9396 0.6569 0.081 Uiso 1 1 calc R U . . . H37C H 0.3356 0.8969 0.6383 0.081 Uiso 1 1 calc R U . . . C38 C 0.2660(17) 1.0830(10) 0.5961(4) 0.050(4) Uani 1 1 d . . . . . H38A H 0.3786 1.0665 0.6011 0.075 Uiso 1 1 calc R U . . . H38B H 0.2235 1.1323 0.6150 0.075 Uiso 1 1 calc R U . . . H38C H 0.2570 1.1208 0.5728 0.075 Uiso 1 1 calc R U . . . N1 N 0.5347(14) 0.9639(7) 0.5282(2) 0.030(2) Uani 1 1 d . . . . . N2 N 0.4685(12) 0.7532(7) 0.5061(2) 0.023(2) Uani 1 1 d . . . . . N3 N 0.6968(15) 0.9215(10) 0.6664(3) 0.051(3) Uani 1 1 d . . . . . H3 H 0.6192 0.8754 0.6604 0.061 Uiso 1 1 calc R U . . . N4 N 0.4650(17) 0.4884(9) 0.6238(3) 0.053(3) Uani 1 1 d . . . . . H4 H 0.4222 0.5514 0.6316 0.064 Uiso 1 1 calc R U . . . O1 O 0.5890(10) 0.8806(6) 0.6006(2) 0.034(2) Uani 1 1 d . . . . . O2 O 0.4484(11) 0.6680(6) 0.57986(18) 0.0355(19) Uani 1 1 d . . . . . O3 O 0.2304(9) 0.8817(6) 0.5655(2) 0.034(2) Uani 1 1 d . . . . . S S 0.1535(4) 0.9527(3) 0.59526(8) 0.0335(7) Uani 1 1 d . . . . . Zn Zn 0.46567(18) 0.82092(11) 0.55857(3) 0.0277(3) Uani 1 1 d . . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1 0.022(6) 0.022(5) 0.024(5) 0.006(4) 0.004(5) 0.002(5) C2 0.014(7) 0.034(6) 0.018(5) 0.008(5) 0.005(4) 0.008(5) C3 0.040(6) 0.021(5) 0.033(5) -0.008(7) -0.001(6) 0.004(6) C4 0.046(6) 0.029(5) 0.027(5) 0.003(4) -0.003(5) 0.005(5) C5 0.035(8) 0.025(6) 0.029(6) 0.005(4) 0.000(5) 0.012(6) C6 0.022(6) 0.024(5) 0.027(5) 0.001(4) 0.003(6) 0.000(6) C7 0.040(7) 0.024(6) 0.020(6) 0.005(5) 0.004(6) 0.006(6) C8 0.050(9) 0.020(6) 0.021(6) 0.000(5) 0.008(6) -0.005(6) C9 0.040(8) 0.020(6) 0.024(6) -0.002(5) -0.002(6) 0.006(5) C10 0.052(8) 0.027(6) 0.023(6) 0.002(5) 0.000(6) -0.013(6) C11 0.030(7) 0.039(7) 0.028(7) -0.010(5) -0.001(6) -0.007(6) C12 0.030(6) 0.019(6) 0.032(6) 0.004(5) 0.007(5) 0.001(5) C13 0.029(7) 0.020(6) 0.030(6) -0.001(4) 0.003(5) 0.002(5) C14 0.066(10) 0.030(6) 0.022(7) -0.004(5) 0.002(7) -0.006(7) C15 0.058(11) 0.106(16) 0.052(9) 0.035(9) 0.026(8) 0.031(9) C16 0.033(7) 0.049(9) 0.036(7) 0.001(6) 0.012(6) -0.017(6) C17 0.057(12) 0.048(9) 0.114(16) -0.005(9) 0.035(10) 0.009(9) C18 0.077(13) 0.089(14) 0.106(15) 0.017(12) 0.034(14) -0.002(15) C19 0.058(12) 0.085(14) 0.109(15) 0.023(14) 0.021(12) 0.037(13) C20 0.026(9) 0.12(2) 0.084(12) 0.025(13) 0.000(9) -0.009(11) C21 0.047(9) 0.077(10) 0.054(9) 0.020(7) -0.017(9) -0.024(9) C22 0.022(6) 0.027(6) 0.033(6) 0.002(4) -0.003(6) 0.000(5) C23 0.020(5) 0.030(6) 0.028(6) 0.000(5) -0.004(6) 0.002(6) C24 0.037(7) 0.032(6) 0.035(7) 0.005(5) 0.001(7) -0.006(6) C25 0.024(6) 0.033(6) 0.038(7) 0.005(5) -0.010(6) -0.016(6) C26 0.023(6) 0.023(6) 0.059(8) 0.009(5) 0.001(7) -0.002(6) C27 0.030(7) 0.011(5) 0.065(8) 0.004(5) 0.002(7) 0.003(5) C28 0.024(7) 0.027(6) 0.039(6) -0.006(5) 0.000(6) 0.003(5) C29 0.047(8) 0.094(10) 0.035(7) 0.024(7) -0.005(8) -0.038(10) C30A 0.11(5) 0.11(5) 0.03(2) 0.02(3) 0.00(4) -0.08(5) C30B 0.050(19) 0.07(2) 0.044(18) 0.024(15) -0.023(15) -0.037(15) C31 0.036(7) 0.034(6) 0.014(5) 0.001(5) 0.004(5) -0.001(6) C32 0.039(8) 0.018(6) 0.067(9) -0.013(6) 0.009(7) -0.006(6) C33 0.041(9) 0.088(15) 0.055(9) -0.039(9) 0.015(8) -0.025(9) C34 0.099(16) 0.079(13) 0.051(10) 0.015(11) -0.012(10) -0.043(14) C35 0.143(17) 0.018(7) 0.034(8) 0.000(6) -0.020(11) -0.006(9) C36 0.076(10) 0.027(6) 0.038(7) -0.001(5) -0.005(8) 0.024(8) C37 0.048(9) 0.079(11) 0.035(8) 0.000(7) 0.010(7) -0.001(8) C38 0.048(9) 0.020(6) 0.081(11) -0.003(7) 0.010(8) -0.008(6) N1 0.046(6) 0.017(4) 0.026(5) -0.003(4) -0.011(5) 0.011(5) N2 0.013(5) 0.034(5) 0.020(5) 0.004(4) 0.004(5) 0.003(5) N3 0.071(9) 0.059(8) 0.024(6) 0.017(5) -0.011(6) -0.035(7) N4 0.082(9) 0.046(6) 0.033(6) 0.006(5) -0.003(7) -0.009(7) O1 0.054(6) 0.016(4) 0.031(4) 0.007(3) -0.007(4) -0.004(4) O2 0.054(5) 0.015(4) 0.038(4) -0.005(4) 0.000(4) -0.009(4) O3 0.034(5) 0.042(5) 0.027(5) -0.007(4) 0.004(4) -0.015(4) S 0.0353(18) 0.0322(16) 0.0331(17) -0.0076(14) 0.0072(15) -0.0113(14) Zn 0.0406(7) 0.0195(5) 0.0231(6) -0.0007(6) 0.0025(7) -0.0052(7) 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' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Zn Zn 0.2839 1.4301 '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 C6 C1 C2 110.6(8) N1 C1 C2 110.7(8) N1 C1 C6 120.6(9) C3 C2 C1 110.3(8) N2 C2 C1 107.8(7) N2 C2 C3 116.5(9) C2 C3 C4 111.7(9) C3 C4 C5 111.0(9) C6 C5 C4 111.9(9) C5 C6 C1 111.4(9) N1 C7 C8 125.7(11) C7 C8 C13 118.2(10) C9 C8 C7 125.3(11) C9 C8 C13 116.5(10) C10 C9 C8 120.5(10) O1 C9 C8 122.4(10) O1 C9 C10 117.0(10) C11 C10 C9 120.6(10) C11 C10 N3 123.9(11) N3 C10 C9 115.2(11) C10 C11 C12 120.3(11) C13 C12 C11 119.3(11) C12 C13 C8 122.7(10) C15 C14 C16 110.2(11) N3 C14 C15 110.8(12) N3 C14 C16 115.0(11) C17 C16 C14 117.7(13) C21 C16 C14 125.7(12) C21 C16 C17 116.3(15) C18 C17 C16 123.3(19) C19 C18 C17 121(2) C18 C19 C20 119.5(19) C19 C20 C21 119.6(17) C16 C21 C20 120.1(15) N2 C22 C23 127.4(10) C22 C23 C28 116.8(9) C24 C23 C22 125.0(9) C24 C23 C28 118.2(9) C23 C24 C25 119.5(10) O2 C24 C23 124.0(9) O2 C24 C25 116.5(10) C26 C25 C24 121.0(10) N4 C25 C24 117.6(10) N4 C25 C26 121.4(10) C27 C26 C25 119.3(10) C28 C27 C26 120.4(10) C27 C28 C23 121.6(10) C31 C29 C30A 101.3(19) C31 C29 C30B 111.9(14) N4 C29 C30A 96(2) N4 C29 C30B 116.6(17) N4 C29 C31 114.9(13) C32 C31 C29 123.0(13) C32 C31 C36 115.6(13) C36 C31 C29 121.3(13) C33 C32 C31 125.7(14) C32 C33 C34 119.1(16) C35 C34 C33 121.6(17) C34 C35 C36 119.5(14) C31 C36 C35 118.4(14) C1 N1 Zn 110.9(7) C7 N1 C1 123.1(9) C7 N1 Zn 125.1(7) C2 N2 Zn 116.3(6) C22 N2 C2 119.8(9) C22 N2 Zn 122.6(8) C10 N3 C14 128.9(11) C25 N4 C29 125.3(12) C9 O1 Zn 131.3(7) C24 O2 Zn 129.2(7) S O3 Zn 131.7(5) C37 S C38 98.7(7) O3 S C37 107.1(6) O3 S C38 105.3(6) N2 Zn N1 78.9(3) O1 Zn N1 89.7(3) O1 Zn N2 148.3(4) O1 Zn O3 105.3(3) O2 Zn N1 164.7(4) O2 Zn N2 91.4(3) O2 Zn O1 92.7(3) O2 Zn O3 101.2(3) O3 Zn N1 92.6(4) O3 Zn N2 104.6(3) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance C1 C2 1.539(14) C1 C6 1.537(13) C1 N1 1.413(12) C2 C3 1.506(13) C2 N2 1.442(12) C3 C4 1.518(15) C4 C5 1.543(15) C5 C6 1.510(14) C7 C8 1.431(15) C7 N1 1.323(15) C8 C9 1.424(15) C8 C13 1.432(15) C9 C10 1.407(15) C9 O1 1.330(13) C10 C11 1.364(16) C10 N3 1.376(14) C11 C12 1.430(16) C12 C13 1.348(14) C14 C15 1.486(19) C14 C16 1.499(19) C14 N3 1.437(15) C16 C17 1.42(2) C16 C21 1.383(18) C17 C18 1.34(2) C18 C19 1.33(3) C19 C20 1.41(3) C20 C21 1.42(2) C22 C23 1.420(14) C22 N2 1.307(12) C23 C24 1.399(15) C23 C28 1.429(14) C24 C25 1.418(15) C24 O2 1.315(13) C25 C26 1.395(15) C25 N4 1.362(13) C26 C27 1.395(15) C27 C28 1.372(14) C29 C30A 1.78(6) C29 C30B 1.49(3) C29 C31 1.484(17) C29 N4 1.400(17) C31 C32 1.382(16) C31 C36 1.397(16) C32 C33 1.322(19) C33 C34 1.34(3) C34 C35 1.34(3) C35 C36 1.46(2) C37 S 1.753(13) C38 S 1.773(12) N1 Zn 2.074(9) N2 Zn 2.071(8) O1 Zn 1.965(8) O2 Zn 1.943(7) O3 S 1.503(8) O3 Zn 2.069(8) loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_sigma _refln_scale_group_code -2 0 0 9581.2 312.74 0 2 0 0 9078.94 338.59 0 -4 0 0 2552.47 250.51 0 4 0 0 2497.6 146.4 0 6 0 0 415.48 69.94 0 -6 0 0 391.96 74.78 0 -8 0 0 25.65 58.42 0 8 0 0 11.04 52.68 0 -8 0 0 6.04 55.56 0 1 1 0 726.28 129.6 0 -1 -1 0 747.21 127.63 0 2 -1 0 118.36 73.29 0 -2 1 0 164.91 72.24 0 2 1 0 128.33 71.69 0 3 -1 0 139.49 63.32 0 -3 1 0 138.08 65.68 0 3 1 0 123.78 61.71 0 4 -1 0 1533.88 117.29 0 4 1 0 1335.17 112.78 0 -4 1 0 1546.88 106.04 0 5 1 0 96.91 44.65 0 5 1 0 87.07 44 0 5 -1 0 90.75 56.43 0 5 1 0 124.87 61.97 0 6 1 0 237.08 60.46 0 -6 1 0 263.42 66.82 0 6 1 0 302.66 67.86 0 6 1 0 316.75 64.92 0 -6 -1 0 252.05 66.1 0 6 1 0 307.24 68.46 0 6 -1 0 331.41 67.33 0 7 1 0 2.06 57.29 0 7 1 0 -2.26 40.26 0 -7 -1 0 17.25 56.53 0 -7 1 0 -37.55 53.67 0 -8 1 0 83.74 61.78 0 8 1 0 71.08 56.21 0 -8 -1 0 82.99 56.95 0 -8 1 0 71.31 60.62 0 8 1 0 59.81 63.41 0 -9 1 0 -57.08 53.11 0 -9 1 0 -7.25 62.94 0 9 1 0 40.54 53.9 0 0 2 0 738.73 123.14 0 0 2 0 563.71 111.54 0 0 -2 0 563.83 108.17 0 1 -2 0 4193.91 260.41 0 -1 2 0 4371.76 233.28 0 -1 -2 0 3532.64 208.81 0 1 2 0 3684.51 212.6 0 2 -2 0 769.12 102.27 0 -2 2 0 790.11 99.5 0 3 -2 0 722.32 95.32 0 -3 2 0 801.33 87.89 0 4 -2 0 17.56 69.93 0 4 2 0 -3.27 41.01 0 4 -2 0 -3.87 51.66 0 -4 2 0 3.05 58.19 0 5 -2 0 1.62 53.25 0 5 2 0 7.75 54.94 0 -5 2 0 -7.62 35.99 0 -5 -2 0 22.85 38.71 0 5 2 0 2.88 47.71 0 5 2 0 -38.79 56.51 0 -6 -2 0 36.39 54.58 0 6 -2 0 29.51 53.36 0 6 2 0 25.48 56.23 0 6 2 0 8.19 39.11 0 6 2 0 9.1 53.59 0 -6 2 0 10.85 40.85 0 -7 2 0 -2.91 57.03 0 7 2 0 -2.92 40.98 0 -7 -2 0 37.73 57.15 0 7 2 0 -5.98 56.58 0 8 2 0 -4.2 58.19 0 -8 2 0 8.5 50.91 0 -8 2 0 61.1 59.2 0 8 2 0 18.83 42.72 0 9 2 0 -22.79 43.98 0 -9 2 0 -44.24 69.57 0 -9 2 0 43.76 61.45 0 1 -3 0 -24.48 60.72 0 -1 3 0 10.3 59.81 0 -2 3 0 829.89 127.05 0 2 -3 0 1080.04 137.6 0 3 -3 0 59.74 63.97 0 -3 3 0 87.32 67.09 0 -4 3 0 34.58 40.73 0 4 -3 0 -15.55 54.53 0 4 3 0 29.54 56.16 0 -5 3 0 543.32 74.83 0 5 -3 0 635.5 88.53 0 5 3 0 752.55 87.5 0 5 3 0 669.47 79.66 0 5 3 0 516.89 87.52 0 -5 -3 0 472.35 88.12 0 6 3 0 -12.43 38.91 0 -6 3 0 37.62 52.98 0 -6 -3 0 20.72 57.09 0 6 3 0 -12.91 57.91 0 6 3 0 13.47 55.11 0 -7 3 0 247.12 64.72 0 -7 -3 0 299.89 66.89 0 7 3 0 252.83 61.17 0 7 3 0 264.95 70.81 0 8 3 0 -1.03 43.74 0 8 3 0 7.85 56.27 0 -8 3 0 20 60.72 0 8 -3 0 8.19 53.79 0 -8 3 0 19.96 42.66 0 -8 3 0 4.39 45.21 0 9 3 0 57.54 63.51 0 -9 3 0 -62.94 68.49 0 -9 3 0 53.05 66.06 0 0 4 0 1463.83 118.74 0 -1 4 0 1842.39 124.81 0 1 -4 0 1970.21 137.51 0 -2 4 0 16.28 56.51 0 2 -4 0 -41.06 62.6 0 3 -4 0 -66.16 55.31 0 -3 4 0 -45.32 56.05 0 4 4 0 117.31 45.19 0 4 4 0 85.64 62.71 0 -4 4 0 99.67 45.54 0 -4 4 0 93.88 44.62 0 4 -4 0 85.95 64.74 0 5 4 0 -39.55 70.01 0 5 4 0 70.58 50.73 0 -5 4 0 52.73 65.96 0 6 4 0 50.56 58.51 0 -6 4 0 57.55 45.01 0 -6 -4 0 80.32 60.94 0 6 4 0 102.38 59.52 0 -7 4 0 -5.25 56.66 0 7 4 0 8.38 42.45 0 -7 -4 0 5.43 54.14 0 7 4 0 1.83 60.11 0 -7 4 0 -7.79 51.11 0 -7 4 0 -42.24 58.28 0 -8 4 0 78.46 60.61 0 8 4 0 -1.6 60.65 0 8 4 0 -3.01 60.4 0 -8 4 0 -20.41 57.12 0 -8 4 0 4.51 59.38 0 -8 -4 0 -2.04 53.83 0 -9 4 0 -5.03 63.07 0 -9 4 0 15.18 53.81 0 9 4 0 -43.1 62.88 0 -9 4 0 3.58 50.98 0 1 -5 0 208.73 66.75 0 -1 5 0 -1.3 69.05 0 2 -5 0 134.43 62.6 0 -2 5 0 1.39 53.36 0 -3 5 0 370.87 72.22 0 3 -5 0 288.21 72.21 0 3 5 0 284.69 59.11 0 4 -5 0 42.23 57.03 0 -4 5 0 8.42 60.44 0 4 5 0 -26.56 58.85 0 4 5 0 32.77 42 0 5 5 0 -43.7 61.41 0 5 -5 0 -8.4 57.26 0 -5 5 0 -15.57 59.98 0 5 5 0 16.48 59.06 0 6 5 0 39.04 56.94 0 -6 5 0 -3.38 55.08 0 6 5 0 23.3 41.01 0 -7 5 0 21.21 63.16 0 -7 5 0 56.15 65.48 0 7 5 0 121.44 62.18 0 -7 5 0 71.29 45.85 0 7 5 0 108.14 58.14 0 8 5 0 60.57 46.61 0 -8 5 0 55.11 63.38 0 -8 5 0 3.17 48.88 0 -8 5 0 44.84 51.79 0 9 5 0 29.98 67.9 0 -9 5 0 -1.88 70.04 0 -9 5 0 34.57 50.52 0 -9 5 0 39.16 59.34 0 0 -6 0 1532.2 98.79 0 0 6 0 1531.88 101.45 0 1 6 0 106.11 46.29 0 1 -6 0 91.47 56.9 0 -1 6 0 88.76 45.97 0 2 -6 0 891.05 87.34 0 2 6 0 989.21 78.95 0 -2 6 0 1050.99 90.54 0 -2 6 0 921.06 79.77 0 -3 6 0 506.09 71.77 0 3 6 0 528.32 64.46 0 3 -6 0 493.24 80.96 0 4 6 0 76.96 56.97 0 -4 6 0 74.46 58.72 0 4 6 0 110.35 59.4 0 4 -6 0 67.75 51.76 0 -5 6 0 88.13 59.95 0 5 6 0 126.16 44.08 0 5 6 0 107.95 59.81 0 -6 6 0 92.73 54.12 0 -6 6 0 54.8 55.94 0 6 6 0 65.64 57.3 0 6 6 0 98.9 58.58 0 -6 6 0 97.11 58.35 0 -7 6 0 41.84 45.37 0 7 6 0 -13.82 59.73 0 -7 6 0 52.38 50.58 0 7 6 0 10.56 42.72 0 -7 6 0 29.38 59.69 0 -8 6 0 -1.52 63.37 0 8 6 0 -25.84 62.88 0 -8 6 0 31.8 58.71 0 -8 6 0 -3.9 54.39 0 -1 7 0 145.27 61.12 0 -1 -7 0 117.12 62.07 0 1 7 0 122.58 57.52 0 1 -7 0 129.78 45.91 0 2 -7 0 212.03 51.48 0 -2 7 0 154.16 59.53 0 2 7 0 204.96 60.98 0 2 -7 0 200.25 61.87 0 3 -7 0 57.64 59.83 0 3 -7 0 67.49 40.5 0 -3 7 0 69.34 53.21 0 3 7 0 36.5 42.65 0 4 -7 0 177.64 63.68 0 4 7 0 145.65 46.13 0 -4 7 0 125.36 54.39 0 4 7 0 176.52 46.95 0 -5 7 0 12.53 37.5 0 5 7 0 27.48 53.75 0 5 7 0 0.56 56.69 0 6 7 0 217.93 62.54 0 6 7 0 203.9 58.48 0 -6 7 0 165.74 64.52 0 -6 7 0 169.21 59.5 0 -6 7 0 126.73 59.7 0 6 7 0 238 61.12 0 -7 7 0 31.37 43.07 0 -7 7 0 -10.14 46.31 0 -7 7 0 26.77 54.84 0 7 -7 0 30.27 54.9 0 7 7 0 29.93 58.52 0 8 7 0 2.32 49.95 0 -8 7 0 -3.53 64.65 0 -8 7 0 31.45 63.78 0 0 -8 0 1063.69 83.51 0 -1 -8 0 97.77 56.62 0 1 8 0 103.88 57.61 0 -1 8 0 96.4 53.02 0 1 -8 0 127.41 42.87 0 2 -8 0 447.38 70.44 0 -2 8 0 440.42 67.22 0 2 8 0 493.8 58.1 0 3 -8 0 187.84 64.83 0 3 8 0 180.26 58.72 0 -3 8 0 172.64 60.34 0 4 8 0 147.8 63.88 0 -4 8 0 80.63 43.78 0 4 8 0 155.69 57.27 0 -5 8 0 63.73 42.02 0 5 8 0 59.34 55.04 0 5 8 0 57.72 43.64 0 5 8 0 59.04 59.21 0 -5 8 0 75.66 58.42 0 -5 8 0 73 58.95 0 -6 8 0 253.93 68.42 0 -6 8 0 226.28 51.36 0 -6 8 0 187.13 50.07 0 6 -8 0 194.93 61.83 0 6 8 0 281.89 65.76 0 7 8 0 11.42 64.58 0 -7 8 0 10.98 65.04 0 -7 8 0 -4.42 64.04 0 -8 8 0 60.58 70.4 0 -8 8 0 44.86 73.56 0 8 8 0 -9.55 65.88 0 -1 9 0 -0.65 38.75 0 1 -9 0 0.55 39.69 0 1 9 0 9.68 40.88 0 -1 -9 0 11.94 41.17 0 -2 9 0 197.79 58.84 0 2 9 0 230.2 64.23 0 2 -9 0 177.6 65.3 0 -3 9 0 60.95 57.73 0 3 -9 0 51.04 58.19 0 3 9 0 27.24 43.33 0 -4 9 0 112.36 62 0 -4 9 0 109.61 58 0 4 9 0 105.95 59.21 0 4 9 0 108.12 61.52 0 -4 9 0 189.57 61.92 0 4 9 0 190.32 63.61 0 -5 9 0 61.25 58.5 0 5 -9 0 36.02 58.35 0 -5 9 0 29.14 60.59 0 5 9 0 10.11 60.32 0 -5 9 0 15.21 63.29 0 5 9 0 33.34 57.26 0 5 9 0 52.82 56.03 0 -6 9 0 111.59 68.02 0 -6 9 0 38.66 45.6 0 6 9 0 103.39 63.52 0 6 9 0 -34.95 67.46 0 6 -9 0 81.57 58.48 0 7 9 0 16.26 66.01 0 -7 9 0 9.64 70.71 0 -7 9 0 53.43 66.23 0 0 -10 0 637.66 74.6 0 -1 10 0 358.15 54.64 0 1 -10 0 444.98 68.14 0 1 10 0 324.22 69.17 0 2 -10 0 118.81 59.82 0 2 10 0 167.9 56.18 0 -2 10 0 164.84 57.14 0 2 -10 0 67.29 56.98 0 -2 10 0 118.72 60.58 0 -2 10 0 119.18 59.54 0 2 10 0 131.54 63.06 0 3 10 0 117.42 64.79 0 -3 10 0 82.65 62.96 0 -3 10 0 94.91 48.18 0 3 10 0 156.5 60.78 0 3 -10 0 87.14 55.9 0 3 10 0 102 50.16 0 -3 10 0 17.59 48.68 0 4 10 0 9.22 65.77 0 4 10 0 -9.53 63.07 0 -4 10 0 3.87 59.67 0 -4 10 0 -18.92 57.47 0 -5 10 0 27.14 47.25 0 5 10 0 58.63 66.37 0 5 10 0 39.84 61.88 0 5 -10 0 65.28 58.91 0 -5 10 0 48.44 69.48 0 -6 10 0 109.14 57.25 0 -6 10 0 131.59 68.14 0 6 -10 0 114.88 62.21 0 6 10 0 118.08 69.17 0 6 10 0 100.01 69.22 0 1 11 0 -56.77 45.74 0 -1 11 0 -6 61.12 0 1 11 0 -86.68 65.5 0 -1 11 0 -15.87 65.88 0 2 11 0 6.19 45.71 0 -2 11 0 -47.97 47.13 0 2 -11 0 -39.47 62.63 0 2 11 0 -45.37 64.3 0 -2 11 0 22.15 67.42 0 3 11 0 -8.49 65.03 0 -3 11 0 50.24 61.69 0 3 11 0 77.16 69.03 0 -3 11 0 66.87 47.64 0 4 11 0 96.5 63.92 0 -4 11 0 119.88 66.53 0 -4 11 0 83.22 62.68 0 4 11 0 91.22 66.6 0 5 11 0 135.85 80.66 0 -5 11 0 215.12 71.91 0 5 11 0 228.24 75.34 0 5 -11 0 207.24 62.81 0 -5 11 0 197.69 62.57 0 -6 11 0 96.21 75.12 0 6 11 0 102.61 67.22 0 -6 11 0 21.76 72.46 0 6 11 0 22.68 58.04 0 0 12 0 97.35 46.23 0 0 12 0 33.25 58.96 0 -1 12 0 364.57 74.38 0 1 12 0 447.1 72.56 0 1 12 0 434.54 67.75 0 -1 12 0 418.2 68.56 0 2 12 0 35.35 57.13 0 2 12 0 33.73 67.58 0 -2 12 0 60.27 66.76 0 -2 12 0 34.69 67.08 0 3 12 0 -22.08 64.22 0 -3 12 0 19.58 48.54 0 3 12 0 42.71 65.66 0 -3 12 0 7.85 64.04 0 -4 12 0 20.68 54.68 0 -4 12 0 86.76 71.18 0 4 12 0 49.41 71.13 0 4 12 0 39.45 50.07 0 5 12 0 112.35 70.48 0 -5 12 0 64.99 72.75 0 5 -12 0 -29.84 69.26 0 5 12 0 46.36 69.69 0 -5 12 0 24.74 49.76 0 -1 13 0 36.22 67.71 0 -1 13 0 57.51 55.03 0 1 13 0 86.95 69.5 0 1 13 0 20.07 57.21 0 -2 13 0 46.87 66.38 0 2 13 0 44.14 61.52 0 -2 13 0 -36 69.7 0 2 13 0 32.14 70.61 0 -3 13 0 -19.94 67.12 0 3 13 0 -6.71 72.56 0 -3 13 0 -73.53 73.03 0 3 13 0 -58.23 56.89 0 -2 0 -1 713.25 97.13 0 2 0 -1 716 113.53 0 -3 0 -1 1568.66 110.48 0 -3 0 1 1805.13 199.93 0 3 0 -1 1519.79 124.38 0 3 0 1 1302.46 126.76 0 4 0 -1 5453.63 207.92 0 -4 0 -1 5604.59 411.58 0 -4 0 1 5666.8 324.35 0 4 0 1 3511.53 177.5 0 -5 0 -1 17.12 57.13 0 5 0 -1 25.07 41.25 0 5 0 1 0.57 58.09 0 5 0 -1 29.8 51.23 0 5 0 1 37.35 49.79 0 -6 0 1 1113.72 90.51 0 6 0 -1 1135.06 94.29 0 6 0 1 1254.03 90.17 0 -6 0 -1 1103.5 90.88 0 6 0 1 1167.51 98.08 0 -7 0 -1 2.04 41.44 0 -7 0 1 -15.85 57.77 0 -8 0 1 221.65 66.11 0 -8 0 -1 153.34 67.21 0 8 0 -1 248.42 71.93 0 -8 0 1 193.06 52.63 0 -8 0 -1 236.73 65.85 0 -8 0 -1 230.19 66.75 0 8 0 -1 278.93 66.67 0 -9 0 1 -0.14 65.87 0 9 0 -1 9.83 57.99 0 -9 0 -1 32.82 66.22 0 0 1 -1 3625.42 316.6 0 0 1 1 3083.89 290.31 0 -1 1 -1 181.19 81.97 0 -1 -1 1 149.05 79.17 0 1 1 1 156.3 72.24 0 1 1 -1 93.55 62.44 0 -1 -1 -1 81.49 66.32 0 -2 1 -1 3013.4 178.65 0 2 -1 -1 2820.74 192.36 0 2 1 1 2839.68 191.51 0 2 1 1 2686.09 191.35 0 -2 1 1 2292.91 155.66 0 -2 -1 -1 3077.45 194.91 0 2 -1 1 2870.1 208.87 0 2 1 -1 2339.48 172.59 0 3 1 1 47.71 56.15 0 -3 1 -1 64.87 56.11 0 3 -1 -1 48.3 55.71 0 -3 1 1 28.61 41.86 0 3 1 -1 3.44 54.81 0 3 -1 1 33.32 53.49 0 4 -1 -1 381.13 73.86 0 -4 1 -1 376.32 72.65 0 4 1 1 430.76 72.62 0 4 -1 1 398.3 74.01 0 4 1 -1 166.96 57.3 0 -4 1 1 401.87 66.93 0 5 1 1 -13.78 57.13 0 5 -1 -1 -10.22 55.81 0 -5 1 -1 27.42 55.32 0 5 1 1 21.85 51.58 0 -5 -1 -1 7.8 39.93 0 5 -1 1 17.21 52.27 0 5 1 -1 16.44 52.83 0 5 1 -1 11.02 39.1 0 5 1 -1 19.28 53.29 0 6 1 1 35.11 56.49 0 6 1 1 60.3 56.51 0 -6 1 -1 34.79 52.85 0 6 -1 -1 23.21 54.19 0 6 1 1 43.93 55.6 0 -6 -1 1 36.02 56.63 0 6 1 -1 46.11 51.52 0 -6 -1 -1 32.07 57.32 0 6 1 -1 35.63 57.68 0 -6 1 1 48.03 42.82 0 6 1 -1 61.85 51.94 0 6 1 -1 36.52 57.53 0 7 1 1 277.5 65.78 0 -7 1 -1 216.4 64.77 0 7 1 1 184.63 61.45 0 -7 -1 1 243 63.13 0 -7 1 1 208.28 66.36 0 7 1 -1 226.29 66.54 0 7 1 -1 239.59 48.85 0 -7 -1 -1 245.3 62.29 0 -8 1 -1 19.86 59.42 0 -8 -1 1 -24.79 57.33 0 -8 1 -1 -6.67 59.26 0 -8 1 -1 7.41 58.05 0 -8 1 1 -17.9 61.91 0 -8 1 1 68.67 47.79 0 -8 -1 -1 13.99 41.33 0 -8 -1 -1 12.16 53.39 0 8 1 -1 -3.97 52.71 0 8 1 -1 20.93 43.11 0 -9 1 -1 27.71 47.87 0 9 -1 -1 29.2 43.19 0 -9 1 -1 -48.12 66.55 0 -9 1 1 46.14 64.38 0 -9 1 1 -7.65 59.73 0 9 1 -1 14.27 59.53 0 0 -2 -1 2120.51 176.11 0 0 -2 -1 2013.04 170.25 0 0 2 -1 1979.18 169.51 0 0 -2 1 2173.21 182.15 0 0 2 1 2752.1 210.37 0 0 2 1 1796.96 161.08 0 0 2 -1 2617.53 194.61 0 1 -2 -1 988.53 123.23 0 -1 2 -1 1329.75 132.01 0 -1 -2 1 975.69 114.87 0 1 2 1 1007.21 122.07 0 -1 -2 -1 1345.57 142.76 0 1 2 -1 1448.7 143.91 0 -1 2 1 1342.69 144.64 0 -2 2 -1 1615.96 133.58 0 2 -2 -1 1572.67 136.08 0 2 -2 1 1170.35 157.25 0 -2 2 1 1147.63 107.32 0 -3 2 -1 324.08 72.1 0 3 -2 -1 313.13 74.02 0 3 -2 1 265.41 73.4 0 -3 2 1 345.29 72.94 0 3 2 -1 279.37 66.34 0 -4 2 -1 102.41 60.63 0 4 -2 -1 89.88 42.48 0 -4 2 1 132.67 62.59 0 4 -2 1 136.45 92.16 0 4 -2 1 148.05 56.61 0 4 2 -1 109.16 59.95 0 5 2 1 43.21 40.28 0 5 2 1 31.57 53.93 0 -5 -2 1 10.05 53.26 0 -5 2 -1 48.96 53.4 0 5 -2 -1 35.78 41.73 0 5 2 1 60.35 52.33 0 5 2 -1 66.33 59.26 0 -5 -2 -1 59.19 41.62 0 5 -2 1 48.26 51.35 0 5 2 -1 28.95 39.55 0 5 2 -1 54.82 57.81 0 6 2 1 64.56 43.99 0 6 2 1 147.66 58.2 0 -6 2 -1 77.04 55.27 0 6 2 1 88.51 54.44 0 -6 -2 1 57.93 61.47 0 6 -2 1 56.24 52.11 0 6 2 -1 49.45 58.56 0 6 2 -1 46.03 40.38 0 6 2 -1 67.34 58.33 0 -6 -2 -1 39.36 56.97 0 -6 2 1 59.36 57 0 -7 2 -1 89.23 49.2 0 7 2 1 146.67 65.11 0 7 2 1 110.43 45.57 0 -7 -2 1 187.8 60.01 0 7 2 -1 122.89 46.87 0 -7 -2 -1 195.22 63.07 0 -7 2 1 102.84 62.73 0 7 2 -1 189.51 63.85 0 -8 2 -1 89.52 63.77 0 8 -2 -1 88.27 55.84 0 8 2 1 82.12 63.1 0 -8 2 -1 86.41 57.66 0 -8 2 -1 104.23 62.2 0 8 2 1 80.35 46.77 0 -8 2 1 107.1 63.44 0 -8 -2 -1 81.18 58.6 0 8 2 -1 47.25 60.63 0 -8 2 1 44.15 63.82 0 -9 2 -1 62.43 71.04 0 9 2 1 45.16 61.69 0 -9 2 -1 -35.71 69.56 0 -9 2 1 43.96 49.4 0 9 2 -1 59.74 60.41 0 -9 2 1 83.49 67.29 0 0 3 1 -10.89 42.96 0 0 3 -1 2.59 60.86 0 0 -3 -1 3.04 43.56 0 1 -3 -1 366.87 72.96 0 -1 3 -1 306.28 93.91 0 -1 3 1 364.74 71.37 0 1 -3 1 301.59 97.29 0 -2 3 -1 219.43 77.65 0 2 -3 -1 178.65 77.04 0 -2 3 1 214.47 78.7 0 2 -3 1 59.73 87.09 0 -3 3 -1 441.28 78.54 0 3 -3 -1 436.04 83.02 0 -3 3 1 521.13 83.94 0 3 -3 1 356.96 89.04 0 -4 3 -1 38.95 57.98 0 4 -3 -1 60.3 55.85 0 4 3 1 67.86 56.52 0 -4 3 1 62.43 44.29 0 4 3 -1 32.64 59.83 0 4 -3 1 46.4 58.23 0 -5 3 -1 36.3 53.12 0 -5 -3 1 32.59 58.5 0 5 -3 -1 46.03 53.37 0 5 3 1 67.12 43.92 0 5 3 1 35.88 41.11 0 5 3 -1 28.04 60.8 0 5 -3 1 70.14 52.62 0 5 3 -1 67.86 55.67 0 5 3 -1 56.24 39.85 0 -5 3 1 52.41 51.74 0 -5 -3 -1 69.67 60.06 0 6 3 1 43.5 56.14 0 -6 3 -1 24.5 42.03 0 6 3 1 19.68 41.46 0 -6 -3 1 47.72 56.17 0 -6 3 1 18.95 52.27 0 6 3 -1 31.43 57.44 0 6 3 -1 66.7 52.94 0 6 3 -1 29.54 51.43 0 -6 -3 -1 20.94 58.48 0 -7 -3 1 28.1 60.62 0 -7 3 -1 38.72 52.94 0 7 3 1 -0.95 61.22 0 7 3 1 38.98 55.6 0 -7 3 1 -3.74 54.89 0 7 3 -1 17.64 60.83 0 -7 3 1 3.48 60.03 0 7 3 -1 46.34 54.6 0 -7 -3 -1 78.98 55.58 0 8 -3 -1 38.49 53.3 0 -8 3 -1 36.3 47.85 0 8 3 1 67.62 46.22 0 -8 3 -1 74.39 61.13 0 -8 3 -1 -7.8 62.88 0 8 3 1 31.5 58.09 0 -8 3 1 76.65 59.42 0 -8 -3 -1 87.58 58.88 0 -8 3 1 44.82 54.68 0 8 3 -1 95.93 57.85 0 8 3 -1 93.43 62.88 0 -8 3 1 44.92 58.29 0 -9 3 -1 -48.56 72.56 0 9 3 1 15.06 60.09 0 -9 3 -1 33.69 64.43 0 -9 3 1 14.82 69.9 0 -9 3 1 29.74 53.64 0 9 3 -1 -1.65 61.11 0 0 4 -1 -89.13 103.68 0 0 4 1 265.99 69.2 0 0 -4 -1 313.5 60.38 0 -1 4 -1 -582.83 103.82 0 1 -4 -1 -427.9 103.14 0 -1 4 1 -366.28 90.1 0 1 -4 1 28.94 39.29 0 -2 4 -1 262.14 56.1 0 2 -4 -1 371.87 67.41 0 -2 4 1 239.81 59.1 0 2 -4 1 235.87 70.37 0 3 -4 -1 260.69 66.05 0 -3 4 -1 249.44 55.68 0 -3 4 1 248.06 72.24 0 3 -4 1 201.6 63.79 0 -4 4 -1 35.62 59.76 0 4 4 1 17.27 61.67 0 4 4 1 65.17 41.97 0 4 -4 -1 23.33 54.99 0 4 -4 1 12.17 45.18 0 4 4 -1 -4.42 60.39 0 4 4 -1 -20.42 59.62 0 -4 4 1 9.03 57.97 0 -5 4 -1 598.8 78.93 0 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1 2 7801.56 312.41 0 2 -1 -2 8128.91 408.62 0 -2 1 -2 8161.9 280.01 0 2 -1 -2 7209.95 281.93 0 -2 1 2 5550.94 235.38 0 -2 -1 -2 7848.51 312.29 0 2 -1 2 5541.07 302.36 0 2 1 -2 3005.15 184.15 0 3 -1 -2 311.86 73.61 0 -3 1 -2 352.77 71.2 0 3 1 2 349.52 76.33 0 3 1 -2 147.64 50.19 0 3 -1 2 233.6 71.04 0 -3 1 2 290.68 67.29 0 4 -1 -2 613.76 81.55 0 -4 1 -2 726.59 83.25 0 4 1 2 723.88 87.65 0 -4 1 2 643.92 77.51 0 4 -1 2 603 83.12 0 4 1 -2 658.88 84.31 0 5 -1 -2 21.86 40.89 0 5 1 2 13.28 54.37 0 5 1 2 22.01 38.61 0 -5 1 -2 5.32 55.71 0 5 1 -2 44.93 49.97 0 -5 -1 -2 21.58 54.57 0 5 1 -2 11.42 56.55 0 5 1 -2 16.82 39.95 0 6 1 2 336.78 66.88 0 6 1 2 297.19 67.66 0 6 1 2 342 68.42 0 -6 1 -2 319.09 64.66 0 -6 -1 2 342.16 66.24 0 6 1 -2 345.27 53.22 0 -6 1 2 355.16 67.89 0 6 1 -2 396.04 67.05 0 6 1 -2 345.57 65.11 0 -6 -1 -2 334.13 55.62 0 7 1 2 128.11 60.96 0 7 1 2 118.28 61.52 0 -7 1 -2 71.08 47.37 0 -7 -1 2 92.26 55.76 0 -7 1 2 58.77 44.8 0 7 1 -2 76.01 41.7 0 -7 -1 -2 58.78 55.5 0 7 1 -2 96.36 43.75 0 -8 1 -2 151.21 59.68 0 -8 -1 2 130.38 60.02 0 -8 1 -2 140.7 64.21 0 8 -1 -2 144.07 65.74 0 -8 1 -2 154.95 66.24 0 -8 -1 -2 187.41 62.17 0 -8 1 2 161.86 62.55 0 -8 1 2 126.91 65.72 0 -8 -1 -2 182.34 48.58 0 8 1 -2 231.04 63.33 0 -9 1 -2 -35.22 58.64 0 -9 1 -2 -54.85 65.88 0 9 -1 -2 -50.64 61.37 0 -9 1 2 -27.13 66.19 0 9 1 -2 17.25 55.76 0 -9 1 2 7.67 63.83 0 0 -2 -2 1757.85 165.06 0 0 2 -2 1777.08 166 0 0 -2 2 1787.76 177.24 0 0 2 -2 2450.3 190.03 0 0 -2 -2 1843.22 168.6 0 1 -2 -2 1341.74 143.18 0 1 2 2 1279.06 135.77 0 -1 -2 2 1233.12 124.1 0 -1 2 -2 1862.02 151.52 0 -1 -2 -2 1848.9 167 0 -1 2 2 1887.44 167.28 0 1 2 -2 1286.91 127.43 0 2 -2 -2 1600.84 139.47 0 -2 2 -2 1622.87 143.97 0 -2 2 2 1613.73 134.3 0 2 2 -2 1344.72 112.92 0 2 -2 2 1528.39 169 0 -3 2 -2 1019.47 107.44 0 3 -2 -2 892.3 111.4 0 -3 2 2 858.42 86.02 0 3 -2 2 1057.76 112.22 0 3 2 -2 592.89 73.08 0 4 -2 -2 586.06 74.14 0 -4 2 -2 613.61 70.57 0 4 -2 -2 679.06 111.43 0 4 -2 2 485.2 174.01 0 -4 2 2 598.06 81.24 0 4 2 -2 552.23 78.35 0 4 -2 2 557.45 83.94 0 5 -2 -2 243.4 66.82 0 5 2 2 267.67 62.71 0 -5 2 -2 233.31 62.66 0 5 2 2 242.36 65.95 0 -5 -2 -2 247.33 53.33 0 5 2 -2 270.35 70.26 0 5 2 -2 306.28 63.54 0 5 2 -2 337.29 63.75 0 5 -2 2 283.4 64.98 0 -6 2 -2 83.69 57.52 0 -6 -2 2 54.93 58.54 0 6 2 2 60.35 54.9 0 6 2 2 59.89 58.45 0 6 2 2 59 58.42 0 6 2 -2 56.08 56.2 0 -6 -2 -2 85.8 56.9 0 6 -2 2 59.98 54.71 0 6 2 -2 73.06 41.4 0 -6 2 2 50.41 56.68 0 6 2 -2 46.66 56.32 0 7 2 2 47.29 43.55 0 -7 -2 2 33.19 53.17 0 7 2 2 37.74 60.12 0 -7 2 -2 23.74 55.25 0 -7 2 2 18.63 54.9 0 7 2 -2 37.82 59.27 0 7 2 -2 47.47 54.9 0 -7 -2 -2 80.62 56.75 0 -8 2 -2 -6.77 59.7 0 -8 2 -2 5.21 59.86 0 8 2 2 -0.56 54.04 0 -8 2 -2 1.75 53.44 0 8 -2 -2 41.29 60.61 0 -8 2 -2 30.36 58.47 0 8 2 -2 18.24 61.17 0 -8 -2 -2 31.21 58.74 0 8 2 -2 57.81 43.61 0 -8 2 2 -6.03 64.06 0 -8 2 2 40.64 60.47 0 -9 2 -2 -48.23 65.63 0 -9 2 -2 -16.1 62.86 0 9 -2 -2 4.93 41.17 0 -9 2 2 17.11 65.52 0 9 2 -2 -27.97 60.34 0 -9 2 2 -19.74 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3 -2 23.82 50.8 0 7 3 -2 46.37 56.38 0 7 3 -2 52.19 56.18 0 -7 3 2 -43.8 57.15 0 -7 -3 -2 12.04 39.61 0 -7 3 2 -4.57 57.24 0 8 -3 -2 0.39 59.34 0 8 3 2 6.13 54.48 0 -8 3 -2 -0.81 60 0 -8 3 -2 45.95 42.78 0 -8 3 -2 28.61 43.47 0 -8 3 -2 14.93 58.86 0 8 3 -2 -32.4 58.76 0 -8 3 2 -3.87 58.03 0 8 3 -2 1.29 59.7 0 -8 3 2 3.78 45.34 0 -8 -3 -2 36.62 41.03 0 -9 3 -2 1.25 63.31 0 -9 3 -2 1.75 64.59 0 9 3 2 -26.44 60.15 0 9 -3 -2 12.17 58.74 0 -9 3 -2 7 57.79 0 -9 3 2 71.33 64.68 0 9 3 -2 -6.6 45.62 0 -9 3 2 29.78 65.56 0 0 -4 -2 54.39 59.3 0 0 4 2 28.95 41.12 0 0 4 -2 -19.19 62.59 0 -1 4 -2 1618.31 118.2 0 1 -4 -2 1540.89 122.19 0 1 -4 2 1388.76 125.62 0 -1 4 2 1478.88 112.98 0 -2 4 -2 437.25 78.45 0 2 -4 -2 560.06 82.3 0 -2 4 2 497.87 68.79 0 2 -4 2 379.47 92.93 0 3 -4 -2 299.39 75.96 0 -3 4 -2 219.38 72.93 0 3 -4 2 247.05 75.74 0 -3 4 2 286.25 70.89 0 -4 4 -2 126.43 57.95 0 4 4 2 -130.32 76.32 0 4 -4 -2 -126.92 70.25 0 4 4 2 -110.5 68.62 0 4 4 -2 60.91 54.72 0 4 -4 2 66.92 55.4 0 4 4 -2 47.72 59.01 0 -4 4 2 61.03 60.36 0 5 4 2 273.1 63.68 0 -5 4 -2 156.77 62.75 0 5 -4 -2 280.72 56.97 0 5 4 2 239.8 69.36 0 -5 4 2 216.52 62.91 0 5 -4 2 262.33 69.91 0 -5 -4 -2 239.51 65.4 0 5 4 -2 168.08 55.97 0 5 4 -2 218.6 72.25 0 5 4 -2 324.59 58.39 0 6 4 2 157.78 60.65 0 6 4 2 150.35 62.54 0 -6 4 -2 125.83 64.5 0 -6 -4 -2 192.7 61.96 0 6 4 -2 125.86 62.94 0 -6 4 2 141.91 57.62 0 6 4 -2 154.28 61.18 0 6 4 -2 142.83 48.99 0 7 4 2 -11.72 54.95 0 -7 4 -2 14.35 58.52 0 7 4 2 -3.75 54.04 0 -7 4 -2 28.01 56.36 0 -7 4 -2 29.46 52.9 0 -7 4 2 -32.74 44.56 0 7 4 -2 47.28 58.64 0 -7 4 2 47.65 41.81 0 7 4 -2 12.96 42.93 0 -7 -4 -2 26.45 54.52 0 -8 4 -2 145.74 63.34 0 -8 4 -2 183.53 50.03 0 -8 4 -2 111.07 71.18 0 8 -4 -2 123.24 59.53 0 8 4 2 180.44 65.63 0 -8 4 -2 149.22 54.59 0 -8 4 2 166.8 63.18 0 -8 4 2 156.56 48.75 0 -8 4 2 121.52 48.73 0 8 4 -2 129.54 67.42 0 -8 -4 -2 129.81 65.03 0 -9 4 -2 10.5 62.73 0 9 4 2 2.07 44.57 0 -9 4 -2 8.15 60.13 0 -9 4 -2 5.93 69.58 0 -9 4 2 -11.23 65.15 0 -9 4 2 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5 2 31.23 49.92 0 7 5 -2 46.06 61.35 0 -7 5 2 96.34 43.87 0 7 5 -2 102.17 55.36 0 7 5 -2 91.49 60.77 0 8 -5 -2 26.13 55.09 0 -8 5 -2 9.28 61.34 0 8 5 2 64.11 43.64 0 -8 5 -2 20.63 57.63 0 -8 5 -2 51.55 63.78 0 -8 5 2 -8.88 69.97 0 8 5 -2 -6.31 62.4 0 -8 5 2 58.55 66.57 0 -8 5 2 29.31 57.47 0 -9 5 -2 7.14 66.7 0 9 5 2 13.16 67.85 0 -9 5 -2 13.29 65.87 0 -9 5 -2 9.58 52.16 0 9 5 -2 36.03 49.14 0 -9 5 2 7.94 65.21 0 -9 5 2 -5.17 66.93 0 0 6 -2 256.47 54.49 0 0 -6 -2 447.39 71.4 0 0 6 2 386.52 63.29 0 1 6 2 428.8 73.66 0 1 -6 -2 376.64 60.22 0 -1 6 -2 176.37 62.15 0 -1 6 -2 90.32 62.71 0 1 -6 2 133.32 60.75 0 1 6 -2 125.84 48.48 0 -1 6 2 383.16 69.47 0 -2 6 -2 483.71 72.62 0 -2 6 -2 412.78 70.96 0 2 6 2 352.14 70.33 0 2 -6 -2 362.44 59.91 0 2 -6 2 460.76 73.08 0 -2 6 2 360.14 73.74 0 2 6 -2 424.94 60.56 0 -2 6 2 325.71 68.93 0 3 6 2 713.87 69.46 0 -3 6 -2 666.07 77.54 0 3 -6 -2 738.94 83.63 0 3 6 -2 701.88 73.77 0 -3 6 2 595.98 78.87 0 3 -6 2 664.54 79.02 0 -4 6 -2 225.53 59.3 0 4 6 2 187.19 62.37 0 4 -6 -2 135.99 62.74 0 4 -6 -2 208.05 62.84 0 4 6 2 177.54 60.69 0 4 6 -2 212.94 53.62 0 4 6 -2 220.31 64.4 0 -4 6 2 142.93 46.38 0 4 -6 2 229.72 61.78 0 5 6 2 222.97 66.08 0 -5 6 -2 214.74 63.68 0 5 6 2 271.8 61.18 0 5 6 -2 271.28 63.43 0 5 6 -2 184.92 50.05 0 -5 6 2 234.55 64.51 0 6 6 2 164.54 48.15 0 -6 6 -2 190.5 48.74 0 -6 6 -2 186.46 48.22 0 6 6 2 216.87 47.64 0 -6 6 2 93.69 46.05 0 -6 6 2 157.04 62.5 0 6 6 -2 233.08 60.31 0 6 6 -2 164.38 57.59 0 -6 6 2 83.27 61.92 0 -7 6 -2 117.6 46.77 0 7 6 2 158.63 60.87 0 -7 6 -2 72.94 65.44 0 7 -6 -2 135.67 59.96 0 7 6 2 83.22 51.1 0 -7 6 -2 75.07 64.69 0 -7 6 2 87.64 66.79 0 -7 6 2 130.39 64.93 0 7 6 -2 156.12 65.81 0 -8 6 -2 67.06 45.51 0 8 -6 -2 62.56 62.12 0 -8 6 -2 55.02 57.73 0 8 6 2 -2.86 63.29 0 -8 6 -2 22.55 64.71 0 -8 6 2 16.87 52.75 0 8 6 -2 63.86 45.41 0 -8 6 2 7.48 65.02 0 -8 6 2 20.15 62.2 0 0 -7 2 263.15 60.82 0 0 -7 -2 201.06 47.64 0 0 -7 2 181.53 64.7 0 0 -7 -2 198.29 60.81 0 0 7 -2 267.1 52.66 0 0 7 2 166.07 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80.86 57.54 0 6 7 -2 79.89 46.13 0 -6 7 2 69.59 61.93 0 -7 7 -2 34.59 68.34 0 -7 7 -2 60.65 62.22 0 7 -7 -2 55.18 62.31 0 7 7 2 90.34 62.28 0 -7 7 2 41.68 64.63 0 7 7 -2 60.05 46.79 0 -7 7 2 75.52 64.56 0 -8 7 -2 23.78 70.28 0 -8 7 -2 -20.04 72.12 0 -8 7 -2 5.99 60 0 8 7 2 34.45 59.22 0 -8 7 2 13.1 59.25 0 8 7 -2 -7.24 65.44 0 -8 7 2 47.28 69.51 0 0 8 -2 654.79 75.52 0 0 -8 -2 714.1 74.62 0 0 -8 2 661.22 64.2 0 1 8 2 131.56 44.09 0 -1 8 -2 140.77 60.04 0 -1 -8 -2 194.86 61.21 0 1 -8 2 108.52 61.5 0 -1 8 2 136.61 44.6 0 1 8 -2 150.46 46.18 0 -2 8 -2 401.61 67.03 0 2 -8 -2 453.02 70.71 0 2 8 2 483.75 68.35 0 -2 8 2 388.92 67.8 0 2 8 -2 461.74 66 0 3 -8 -2 368.92 70.59 0 3 8 2 313.01 67.34 0 -3 8 -2 225.34 50.43 0 3 8 -2 238.5 50.29 0 -3 8 2 299.41 64.22 0 3 -8 2 290.08 64.2 0 4 8 2 215.02 61.62 0 4 -8 -2 272.21 68.25 0 -4 8 -2 306.39 65.19 0 -4 8 2 211.23 62.04 0 4 8 -2 258.25 70.68 0 4 8 -2 304.79 71.35 0 -5 8 -2 15.1 60.96 0 5 8 2 103.36 57.39 0 5 8 2 121.16 49.48 0 -5 8 -2 64.96 60.6 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52.48 0 2 10 -21 218.01 70.8 0 2 10 -21 167.66 67.9 0 2 10 -21 193.27 58.16 0 2 10 -21 81.48 72.15 0 -3 10 -21 23.24 59.05 0 3 -10 -21 17.04 65.31 0 -3 10 -21 -0.12 57.13 0 -3 -10 -21 58.14 63.06 0 3 10 -21 20.3 56.63 0 3 10 -21 15.77 44.61 0 3 10 -21 -33.28 47.29 0 -4 10 -21 84.05 63.21 0 4 -10 -21 89.06 55.93 0 -4 10 -21 25.04 57.48 0 -4 10 21 91.29 57.19 0 4 10 -21 59.23 56.28 0 4 10 -21 44.16 50.27 0 4 10 -21 32.14 68.97 0 4 10 -21 89.64 52.48 0 0 -11 -21 -17.52 68.88 0 0 11 -21 -30.3 42.42 0 0 11 -21 49.24 59.37 0 0 11 -21 -21 53.17 0 -1 11 -21 -9.45 62 0 -1 11 -21 48.95 55.02 0 1 -11 -21 20.49 64.9 0 -1 -11 -21 22.79 63.7 0 1 11 -21 45.91 41.95 0 1 11 -21 -33.28 62.04 0 1 11 -21 -41.71 67.75 0 2 -11 -21 32.62 70.28 0 -2 11 -21 -1.21 62.15 0 2 -11 -21 38.9 51.95 0 -2 11 -21 39.02 52.44 0 2 11 -21 -9.7 61.03 0 2 11 -21 -28.3 63.47 0 2 11 -21 -1.89 48.07 0 -2 -11 -21 9.32 52.71 0 2 11 -21 -4.7 56.85 0 -3 11 -21 15.5 64.26 0 -3 -11 -21 28.14 65.86 0 3 11 -21 19.19 66.13 0 3 11 -21 12.95 66.99 0 3 11 -21 72.95 52.96 0 0 -12 -21 92.71 56.54 0 0 12 -21 65.69 51.82 0 0 12 -21 104.04 66.08 0 0 12 -21 28.8 56.26 0 -1 12 -21 16.64 68.25 0 -1 12 -21 41.05 68.94 0 1 -12 -21 -1.34 52.02 0 -1 -12 -21 24.22 47.17 0 1 12 -21 12.15 68.79 0 1 12 -21 77.91 55.11 0 0 0 -22 34.12 49.02 0 -1 0 -22 133.46 58.03 0 1 0 -22 141.75 49.57 0 -1 0 -22 165 61.39 0 1 0 -22 139.84 62.45 0 2 0 -22 2.44 57.58 0 -2 0 -22 31.28 50.51 0 2 0 -22 8 38.61 0 3 0 -22 19.16 55.56 0 -3 0 -22 -2.32 38.73 0 4 0 -22 127.88 57.47 0 -4 0 -22 106.74 45.58 0 5 0 -22 17.33 53.77 0 -5 0 -22 73.27 53.06 0 6 0 -22 -10.18 54.2 0 -6 0 -22 33.53 61.02 0 6 0 -22 23.71 59.98 0 -7 0 22 173.05 64.33 0 -7 0 -22 151.36 69.55 0 7 0 -22 131 71.78 0 -8 0 -22 -31.29 71.01 0 8 0 -22 -7.91 69.92 0 0 -1 -22 720.72 77.24 0 0 1 -22 761.37 89.09 0 1 -1 -22 393.06 69.62 0 1 -1 -22 426.61 72.49 0 -1 1 -22 413.61 72.65 0 1 1 -22 477.69 74.72 0 -1 -1 -22 492.56 77.35 0 -1 -1 -22 423.4 72.27 0 1 1 -22 367.86 61.73 0 2 -1 -22 49.38 55.42 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44.45 66.69 0 5 -7 -22 75 46.61 0 -5 7 22 81.9 58.35 0 5 7 -22 36 46.52 0 5 7 -22 58.86 60.61 0 5 7 -22 44.3 54.24 0 -6 7 -22 50.79 65.37 0 6 -7 -22 33.26 65.44 0 -6 7 22 36.15 60.55 0 -6 7 22 -0.14 41.17 0 6 7 -22 54.97 46.94 0 0 -8 -22 44.72 61.27 0 0 -8 -22 113.14 56.35 0 0 8 -22 96.93 61.37 0 0 8 -22 65.56 44.46 0 0 -8 -22 81.53 59.34 0 0 8 -22 88.61 55.59 0 1 -8 -22 127.58 43.3 0 1 -8 -22 104.67 61.8 0 -1 8 -22 64.34 44.08 0 1 -8 -22 92.62 60.51 0 -1 -8 -22 130.55 60.79 0 1 8 -22 75.86 54.47 0 1 8 -22 116.81 56.96 0 -1 -8 -22 106.79 59.36 0 1 8 -22 122.1 59.51 0 2 -8 -22 65.09 62.6 0 -2 8 -22 85.46 60.63 0 -2 8 -22 32.26 57.33 0 2 -8 -22 85.51 66.19 0 2 8 -22 100.79 47.11 0 -2 -8 -22 68.09 55.68 0 2 8 -22 66.93 44.37 0 2 8 -22 73.5 59.74 0 2 8 -22 82.95 58.4 0 -3 8 -22 45.09 62.32 0 3 -8 -22 25.42 61.62 0 -3 8 -22 10.87 46.22 0 3 -8 -22 14.06 68.53 0 -3 -8 -22 105.61 61.11 0 3 8 -22 53.66 55.53 0 3 8 -22 55.32 61.3 0 3 8 -22 -4.77 46.59 0 3 8 -22 75.83 47.06 0 -3 -8 -22 35.75 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125.65 62.13 0 2 9 -22 62 61.09 0 2 9 -22 88.03 66.33 0 -2 -9 -22 111.14 50.08 0 2 9 -22 83.33 57.02 0 3 -9 -22 15.48 62.19 0 -3 9 -22 -0.58 46.29 0 -3 -9 -22 50.59 60.77 0 3 9 -22 47.32 62.42 0 3 9 -22 42.76 61.89 0 -4 9 -22 -29.93 51.64 0 4 -9 -22 29.45 62.81 0 -4 9 22 36.66 56.04 0 4 9 -22 57.97 59 0 4 9 -22 14.45 62.43 0 4 9 -22 32.98 63.44 0 4 9 -22 6.43 56.56 0 4 9 -22 -28.7 58.69 0 -5 9 -22 31.06 44.78 0 5 -9 -22 42.75 64.79 0 -5 9 22 54.48 59.7 0 5 9 -22 8.75 63.68 0 5 9 -22 3.33 68.45 0 5 9 -22 2.73 59.76 0 5 9 -22 -7.6 64.32 0 0 -10 -22 -10.28 46.56 0 0 10 -22 4.65 55.74 0 0 10 -22 -4.79 59.99 0 0 10 -22 43.49 42.64 0 1 -10 -22 42.35 64 0 -1 10 -22 29.19 54.32 0 -1 10 -22 -1.61 46.7 0 1 -10 -22 44.55 46.31 0 -1 -10 -22 71.7 46.39 0 1 10 -22 66.05 58.69 0 1 10 -22 72.46 61.39 0 1 10 -22 68.43 58.21 0 -1 -10 -22 64.3 45.6 0 1 10 -22 64.12 60.06 0 2 -10 -22 68.39 45.68 0 -2 10 -22 78.42 43.16 0 -2 -10 -22 72.31 61.01 0 2 10 -22 44.32 43.41 0 2 10 -22 38.68 44.92 0 2 10 -22 86.22 48.44 0 -2 -10 -22 123.33 62.98 0 2 10 -22 44.46 53.86 0 -3 10 -22 13.31 42.06 0 3 -10 -22 -20.97 63.98 0 -3 10 -22 44.59 58.5 0 -3 -10 -22 3.83 43.38 0 3 10 -22 32.04 56.03 0 3 10 -22 -34.03 62.92 0 3 10 -22 -0.96 51.28 0 4 -10 -22 144.7 64.49 0 -4 10 -22 25.94 62.54 0 4 10 -22 34.46 66.38 0 4 10 -22 38.53 72.32 0 4 10 -22 20.29 72.82 0 4 10 -22 59.98 50.86 0 0 11 -22 108.72 59.42 0 0 11 -22 151.73 66.24 0 -1 11 -22 22.5 60.58 0 -1 11 -22 -4.59 52.71 0 1 -11 -22 48.63 51.47 0 1 11 -22 -18.34 59.98 0 1 11 -22 -31.04 62.42 0 1 11 -22 -5.53 45.72 0 1 11 -22 20.3 54.28 0 2 -11 -22 65.83 51.09 0 -2 11 -22 58.91 64.97 0 2 11 -22 89.18 49.16 0 2 11 -22 125.33 65.48 0 -2 -11 -22 44.42 66.28 0 2 11 -22 6.19 55.86 0 -3 11 -22 51.93 48.5 0 3 -11 -22 -34.57 57 0 3 -11 -22 46.47 71.52 0 -3 -11 -22 22.32 51.94 0 3 11 -22 49.99 66.47 0 3 11 -22 42.87 68.24 0 0 -12 -22 81.3 73.05 0 0 12 -22 73.65 61.56 0 0 12 -22 -29.9 69.39 0 0 12 -22 16.93 57.64 0 -1 0 -23 96.8 55.53 0 1 0 -23 65.65 60.6 0 -1 0 -23 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55.64 0 -2 4 -40 54.76 68.24 0 2 -4 -40 37.94 70.19 0 2 4 -40 24.12 51.77 0 -2 -4 -40 7.55 64.08 0 2 4 -40 17.91 49.21 0 -2 -4 -40 -37.61 68.63 0 0 5 -40 24.33 55.36 0 0 -5 -40 56.91 67.46 0 0 5 -40 48.84 67.88 0 0 -5 -40 52.33 72.94 0 -1 5 -40 38.87 71.4 0 1 -5 -40 110.59 68.87 0 -1 5 -40 20.21 71.4 0 1 -5 -40 28.99 68.68 0 1 5 -40 32.3 54.28 0 -1 -5 -40 58.18 71.43 0 1 5 -40 -17.11 75.39 0 -1 -5 -40 33.69 47.78 0 -1 0 -41 258.19 67.46 0 1 0 -41 196.35 74.57 0 -1 0 -41 293.69 68.09 0 1 0 -41 297.54 74.82 0 -2 0 -41 10.35 61.35 0 2 0 -41 20.85 70.79 0 -2 0 -41 17.11 46.2 0 2 0 -41 91.84 66.08 0 3 0 -41 60.69 65.95 0 -3 0 -41 12.81 62.9 0 3 0 -41 6.95 67.91 0 0 1 -41 154.78 67.31 0 0 -1 -41 137.04 62.52 0 0 1 -41 109.24 72.36 0 0 -1 -41 183.54 72.85 0 -1 1 -41 7.96 64.44 0 1 -1 -41 84.81 65.27 0 -1 1 -41 5.16 65.62 0 1 -1 -41 135.84 70.66 0 1 1 -41 4.45 48.4 0 -1 -1 -41 31.41 46.31 0 1 1 -41 56.17 68.47 0 -1 -1 -41 57.6 71.36 0 -2 1 -41 12.13 68.41 0 2 -1 -41 -0.44 67.17 0 -2 1 -41 27.92 69.9 0 2 -1 -41 111.65 53.73 0 2 1 -41 -3.96 68.55 0 -2 -1 -41 26.18 60.87 0 2 1 -41 6.89 72.08 0 -2 -1 -41 45.64 69.58 0 3 -1 -41 -28.1 67.71 0 -3 1 -41 73.44 61.83 0 3 -1 -41 -10.07 56.26 0 3 1 -41 37.57 53.06 0 3 1 -41 24.61 66.17 0 -3 -1 -41 18.18 66.11 0 0 2 -41 -1.24 65.42 0 0 -2 -41 -4.31 69.66 0 0 2 -41 -28.46 54.26 0 0 -2 -41 30.43 65.71 0 -1 2 -41 58.38 63.64 0 1 -2 -41 37.5 53.83 0 -1 2 -41 52.33 62.9 0 1 -2 -41 20.46 71.8 0 1 2 -41 25.82 71.5 0 -1 -2 -41 16.71 58.1 0 1 2 -41 65.64 65.9 0 -1 -2 -41 34.42 65.7 0 -2 2 -41 75.98 48.47 0 2 -2 -41 75.36 69.23 0 -2 2 -41 61.12 70.88 0 2 -2 -41 104.44 56.17 0 2 2 -41 117.03 68.57 0 -2 -2 -41 130.4 68 0 2 2 -41 110.9 56.33 0 -2 -2 -41 72.14 67.37 0 3 -2 -41 54.59 69.31 0 -3 2 -41 70.94 71.53 0 3 -2 -41 71.22 56.89 0 3 2 -41 136.83 74.72 0 3 2 -41 54.97 55.85 0 -3 -2 -41 76.96 70.37 0 0 3 -41 1.69 53.39 0 0 -3 -41 31.19 67.98 0 0 3 -41 -31.07 71.26 0 0 -3 -41 7.91 64.41 0 -1 3 -41 57.3 67.9 0 1 -3 -41 45.83 69 0 -1 3 -41 15.22 68.54 0 1 -3 -41 44.96 67.36 0 1 3 -41 70.79 55.81 0 -1 -3 -41 57.83 66.02 0 1 3 -41 58.02 70.26 0 -1 -3 -41 14.48 60.47 0 -2 3 -41 4.27 63.08 0 2 -3 -41 121.68 72.81 0 -2 3 -41 6.5 55.18 0 2 -3 -41 15.47 67.15 0 2 3 -41 -14.85 73.32 0 -2 -3 -41 40.94 62.63 0 2 3 -41 2.42 73.11 0 -2 -3 -41 -26.62 70.48 0 0 4 -41 -65.94 74.31 0 0 -4 -41 -17.19 52.65 0 0 4 -41 -13.3 69.69 0 0 -4 -41 35.67 54.64 0 -1 4 -41 25 67.66 0 1 -4 -41 -27.9 74.21 0 -1 4 -41 64.46 65.07 0 1 -4 -41 85.6 53.69 0 1 4 -41 31.36 69.53 0 -1 -4 -41 -55 53.06 0 1 4 -41 30.7 54.94 0 -1 -4 -41 79.53 65.15 0 -2 4 -41 74.01 66.24 0 2 -4 -41 35.32 68.59 0 -2 4 -41 32.9 68.67 0 2 -4 -41 -11.85 76.45 0 2 4 -41 -8.69 68.55 0 -2 -4 -41 22.94 63.82 0 2 4 -41 -16.31 69.14 0 -2 -4 -41 28.58 70.41 0 0 0 -42 -22.08 67.06 0 0 0 -42 90.91 71.02 0 -1 0 -42 31.38 62.64 0 1 0 -42 -8.39 49.16 0 -1 0 -42 1.82 70.24 0 1 0 -42 -2.12 72.64 0 -2 0 -42 184.69 66.13 0 2 0 -42 167.16 59.63 0 -2 0 -42 109.03 74 0 2 0 -42 142.98 72.44 0 0 1 -42 -23.64 64.84 0 0 -1 -42 40.07 70.01 0 0 1 -42 15.24 53.52 0 0 -1 -42 28.95 70.34 0 -1 1 -42 121.91 67.92 0 1 -1 -42 85.7 53.79 0 -1 1 -42 12.29 66.06 0 1 -1 -42 46.92 68.35 0 1 1 -42 63.07 72.8 0 -1 -1 -42 77.04 63.23 0 1 1 -42 38.35 68.59 0 -1 -1 -42 71.82 55.42 0 -2 1 -42 111.72 63.63 0 2 -1 -42 123.7 58.63 0 -2 1 -42 83.2 66.57 0 2 -1 -42 67.57 68.81 0 2 1 -42 90.38 69.02 0 -2 -1 -42 68.37 63.09 0 2 1 -42 105.4 70.1 0 -2 -1 -42 115.37 70.79 0 0 2 -42 91.32 68.14 0 0 -2 -42 53.44 73.4 0 0 2 -42 122.95 72.89 0 0 -2 -42 82.86 74.08 0 -1 2 -42 70.92 68.17 0 1 -2 -42 70.94 51.23 0 -1 2 -42 113.44 67.81 0 1 -2 -42 166.87 70.45 0 1 2 -42 60.99 71.48 0 -1 -2 -42 70.62 71.49 0 1 2 -42 28.69 70.94 0 -1 -2 -42 48.64 56.79 0 -2 2 -42 1.15 67.33 0 2 -2 -42 -4.71 57.57 0 -2 2 -42 30.64 71.85 0 2 -2 -42 61.49 67.32 0 2 2 -42 -19.45 74.16 0 -2 -2 -42 1.55 64.59 0 2 2 -42 15.09 65.77 0 -2 -2 -42 -14.97 59.55 0 0 3 -42 37.84 67.7 0 0 -3 -42 6.69 69.98 0 0 3 -42 -4.95 54.29 0 0 -3 -42 -24.29 68.91 0 -1 3 -42 37.57 60.81 0 1 -3 -42 46.35 66.08 0 -1 3 -42 42.35 64.87 0 1 -3 -42 66.66 69.4 0 1 3 -42 42.5 74.39 0 -1 -3 -42 25.74 69.74 0 1 3 -42 108.23 72.8 0 -1 -3 -42 14.35 48.99 0 -1 0 -43 -52.21 65.55 0 1 0 -43 22.08 67.25 0 -1 0 -43 16.31 52.68 0 1 0 -43 -42.23 56.48 0 0 1 -43 26.52 67.41 0 0 -1 -43 29.08 68.03 0 0 1 -43 -4.02 69.84 0 0 -1 -43 73.44 55.21 0 -1 1 -43 67.58 67.07 0 1 -1 -43 75.43 74.62 0 -1 1 -43 108.57 67.34 0 1 -1 -43 80.94 59.7 0 1 1 -43 59.92 55.61 0 -1 -1 -43 79.79 70.49 0 1 1 -43 56.28 70.82 0 -1 -1 -43 59.66 68.32 0 0 2 -43 18.08 66.18 0 0 -2 -43 26.74 66.42 0 0 2 -43 29.65 66.01 0 0 -2 -43 -5.5 55.18 0 -1 2 -43 -22.28 71.62 0 1 -2 -43 -43.03 68.07 0 -1 2 -43 -6.12 73.22 0 1 -2 -43 3.57 54.64 0 1 2 -43 11.22 67.54 0 -1 -2 -43 17.64 68.98 0 1 2 -43 -13.56 69.95 0 -1 -2 -43 -36.63 68.33 0 loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 PubChem 139184396