#------------------------------------------------------------------------------ #$Date: 2021-03-23 04:40:53 +0200 (Tue, 23 Mar 2021) $ #$Revision: 263227 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/24/24/7242494.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_7242494 loop_ _publ_author_name 'MONDAL, IPSITA' 'Frontera, Antonio' 'Chattopadhyay, Shouvik' _publ_section_title ; On the importance of RH3C•••N tetrel bonding interactions in the solid state of a dinuclear zinc complex with a tetradentate Schiff base ligand ; _journal_name_full CrystEngComm _journal_paper_doi 10.1039/D0CE01864C _journal_year 2021 _chemical_formula_moiety 'C18 H31 N11 O5 S2 Zn2' _chemical_formula_sum 'C18 H31 N11 O5 S2 Zn2' _chemical_formula_weight 676.44 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2018/3 _audit_update_record ; 2020-12-20 deposited with the CCDC. 2021-03-22 downloaded from the CCDC. ; _cell_angle_alpha 80.589(3) _cell_angle_beta 77.092(3) _cell_angle_gamma 64.355(3) _cell_formula_units_Z 2 _cell_length_a 9.2129(9) _cell_length_b 9.9156(10) _cell_length_c 17.7795(18) _cell_measurement_reflns_used 900 _cell_measurement_temperature 273(2) _cell_measurement_theta_max 25.131 _cell_measurement_theta_min 2.01 _cell_volume 1423.1(2) _computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)' _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _diffrn_ambient_temperature 273(2) _diffrn_measured_fraction_theta_full 0.996 _diffrn_measured_fraction_theta_max 0.996 _diffrn_measurement_device_type 'BRUKER SMART APEX II' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0409 _diffrn_reflns_av_unetI/netI 0.0226 _diffrn_reflns_Laue_measured_fraction_full 0.996 _diffrn_reflns_Laue_measured_fraction_max 0.996 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_number 39040 _diffrn_reflns_point_group_measured_fraction_full 0.996 _diffrn_reflns_point_group_measured_fraction_max 0.996 _diffrn_reflns_theta_full 25.131 _diffrn_reflns_theta_max 25.131 _diffrn_reflns_theta_min 2.357 _exptl_absorpt_coefficient_mu 1.882 _exptl_absorpt_correction_T_max 0.686 _exptl_absorpt_correction_T_min 0.574 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details SADABS _exptl_crystal_colour white _exptl_crystal_density_diffrn 1.579 _exptl_crystal_description block _exptl_crystal_F_000 696 _exptl_crystal_size_max 0.3 _exptl_crystal_size_mid 0.3 _exptl_crystal_size_min 0.2 _refine_diff_density_max 0.373 _refine_diff_density_min -0.508 _refine_diff_density_rms 0.061 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.050 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 365 _refine_ls_number_reflns 5045 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.050 _refine_ls_R_factor_all 0.0322 _refine_ls_R_factor_gt 0.0280 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0343P)^2^+0.9589P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0718 _refine_ls_wR_factor_ref 0.0751 _reflns_Friedel_coverage 0.000 _reflns_number_gt 4579 _reflns_number_total 5066 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d0ce01864c2.cif _cod_data_source_block shelx _cod_database_code 7242494 _shelx_shelxl_version_number 2018/3 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_res_file ; TITL IM118_a.res in P-1 shelx.res created by SHELXL-2018/3 at 18:21:29 on 07-Aug-2020 CELL 0.71073 9.2129 9.9156 17.7795 80.589 77.092 64.355 ZERR 2.00 0.0009 0.0010 0.0018 0.003 0.003 0.003 LATT 1 SFAC C H N O ZN S UNIT 36 62 22 10 4 4 MERG 2 EADP S1A C17 FMAP 2 PLAN 20 ACTA L.S. 10 TEMP 0.00 WGHT 0.034300 0.958900 FVAR 0.58045 0.59876 PART 1 N7 3 0.774598 0.752436 0.104938 21.00000 0.04901 0.06275 = 0.06634 -0.00534 0.01446 -0.02233 N8 3 0.734723 0.854399 0.060120 21.00000 0.09754 0.10522 = 0.11628 0.02669 0.01442 -0.03521 S1 6 0.368438 0.872514 0.178590 21.00000 0.04806 0.02867 = 0.02913 -0.00224 0.00798 -0.00559 PART 2 N7A 3 0.827938 0.749068 0.139777 -21.00000 0.05268 0.08462 = 0.05415 0.00259 -0.01281 -0.03085 N8A 3 0.859558 0.844138 0.143118 -21.00000 0.15491 0.08918 = 0.12735 -0.00662 -0.01482 -0.08533 S1A 6 0.339390 0.869120 0.166123 -21.00000 0.16021 0.06779 = 0.05685 -0.00298 -0.01551 0.01345 PART 0 C17 1 0.200246 0.995713 0.128430 11.00000 0.16021 0.06779 = 0.05685 -0.00298 -0.01551 0.01345 AFIX 33 H17A 2 0.242276 1.035889 0.080034 11.00000 -1.50000 H17B 2 0.143965 0.939852 0.118999 11.00000 -1.50000 H17C 2 0.125766 1.076393 0.159796 11.00000 -1.50000 AFIX 0 C18 1 0.419428 1.007827 0.201221 11.00000 0.10481 0.07055 = 0.14481 0.00097 0.00692 -0.04878 AFIX 33 H18A 2 0.474150 1.043584 0.155345 11.00000 -1.50000 H18B 2 0.321932 1.089842 0.221930 11.00000 -1.50000 H18C 2 0.490514 0.965186 0.238955 11.00000 -1.50000 AFIX 0 ZN1 5 0.367550 0.593865 0.300370 11.00000 0.02555 0.03164 = 0.03997 -0.00765 -0.00429 -0.01126 ZN2 5 0.733708 0.502160 0.200487 11.00000 0.02732 0.05264 = 0.05485 -0.01162 -0.00285 -0.01627 S2 6 0.472409 0.235804 0.335629 11.00000 0.05004 0.03421 = 0.05295 -0.00642 -0.01558 -0.01544 O4 4 0.522152 0.497556 0.198153 11.00000 0.02860 0.05664 = 0.04507 -0.02190 -0.00107 -0.01726 O3 4 0.450019 0.381233 0.362911 11.00000 0.05732 0.03033 = 0.05412 -0.00364 -0.01910 -0.01340 O2 4 0.285062 0.821003 0.250393 11.00000 0.05800 0.03774 = 0.05141 -0.00238 0.00448 -0.01438 O1 4 0.230430 0.839692 0.501033 11.00000 0.07031 0.04737 = 0.04951 -0.01417 -0.01308 -0.02172 N2 3 0.188726 0.569481 0.258227 11.00000 0.02675 0.04302 = 0.04622 -0.00882 -0.00580 -0.01419 N6 3 0.807763 0.648690 0.137263 11.00000 0.07981 0.09781 = 0.11673 0.02022 -0.00130 -0.05410 N11 3 1.051398 0.271653 0.336595 11.00000 0.08800 0.08442 = 0.07121 0.00538 -0.02984 -0.02605 N1 3 0.165106 0.672969 0.403564 11.00000 0.03161 0.03515 = 0.04017 -0.00710 -0.00167 -0.01280 N3 3 0.593002 0.603204 0.306463 11.00000 0.03621 0.05188 = 0.05937 -0.02355 -0.00184 -0.02130 O5 4 0.767964 0.376818 0.091491 11.00000 0.03629 0.10570 = 0.05240 -0.03329 0.00475 -0.02096 C10 1 0.460351 0.298613 0.028778 11.00000 0.08371 0.07204 = 0.04647 -0.02191 -0.01013 -0.03660 AFIX 43 H10 2 0.448139 0.253225 -0.009799 11.00000 -1.20000 AFIX 0 C14 1 0.908906 0.313274 0.035597 11.00000 0.03872 0.11786 = 0.05600 -0.02124 0.00588 -0.00740 AFIX 33 H14A 2 0.996944 0.329485 0.046987 11.00000 -1.50000 H14B 2 0.939072 0.207494 0.036556 11.00000 -1.50000 H14C 2 0.886598 0.359607 -0.014784 11.00000 -1.50000 AFIX 0 C16 1 0.409213 0.141377 0.421275 11.00000 0.09485 0.05107 = 0.07537 0.00455 -0.00728 -0.03705 AFIX 33 H16A 2 0.419259 0.046266 0.409544 11.00000 -1.50000 H16B 2 0.476813 0.125680 0.458677 11.00000 -1.50000 H16C 2 0.297350 0.201059 0.441973 11.00000 -1.50000 AFIX 0 C11 1 0.609932 0.298964 0.029346 11.00000 0.06173 0.06916 = 0.04602 -0.02450 0.00062 -0.01804 AFIX 43 H11 2 0.698670 0.253440 -0.008792 11.00000 -1.20000 AFIX 0 C15 1 0.685161 0.122531 0.323739 11.00000 0.05328 0.04801 = 0.12373 -0.02614 -0.00649 -0.01036 AFIX 33 H15A 2 0.707161 0.027798 0.306323 11.00000 -1.50000 H15B 2 0.742013 0.172106 0.286153 11.00000 -1.50000 H15C 2 0.721661 0.106275 0.372294 11.00000 -1.50000 AFIX 0 C4 1 0.210378 0.612394 0.481276 11.00000 0.05061 0.04143 = 0.03777 -0.00390 -0.00131 -0.01650 AFIX 23 H4A 2 0.270912 0.504345 0.481743 11.00000 -1.20000 H4B 2 0.111884 0.633690 0.519801 11.00000 -1.20000 AFIX 0 C3 1 0.079558 0.838753 0.405858 11.00000 0.03404 0.03765 = 0.04522 -0.01170 0.00087 -0.00465 AFIX 23 H3A 2 -0.020838 0.864141 0.443339 11.00000 -1.20000 H3B 2 0.051209 0.883654 0.355520 11.00000 -1.20000 AFIX 0 C2 1 0.185433 0.900696 0.427330 11.00000 0.05081 0.03504 = 0.05116 -0.01123 -0.00253 -0.01257 AFIX 23 H2A 2 0.283476 0.878835 0.388470 11.00000 -1.20000 H2B 2 0.127464 1.008867 0.427830 11.00000 -1.20000 AFIX 0 C12 1 0.627525 0.366103 0.085865 11.00000 0.03972 0.05419 = 0.04158 -0.01031 -0.00557 -0.01205 N5 3 0.635068 0.767575 0.369966 11.00000 0.04793 0.08451 = 0.11560 -0.05837 0.00278 -0.03052 C1 1 0.312258 0.680174 0.501611 11.00000 0.05562 0.05000 = 0.04416 -0.00565 -0.01388 -0.01681 AFIX 23 H1A 2 0.338915 0.639167 0.552629 11.00000 -1.20000 H1B 2 0.413837 0.653176 0.464898 11.00000 -1.20000 AFIX 0 C5 1 0.052902 0.610733 0.390699 11.00000 0.03426 0.06016 = 0.05298 -0.01427 0.00431 -0.02597 AFIX 23 H5A 2 -0.052149 0.656950 0.423676 11.00000 -1.20000 H5B 2 0.097114 0.503733 0.405113 11.00000 -1.20000 AFIX 0 C8 1 0.345116 0.434772 0.144041 11.00000 0.04141 0.03774 = 0.03755 -0.00379 -0.01103 -0.01835 C9 1 0.331215 0.364774 0.084746 11.00000 0.06238 0.05968 = 0.04784 -0.00738 -0.01708 -0.03304 AFIX 43 H9 2 0.231072 0.363858 0.083916 11.00000 -1.20000 AFIX 0 C6 1 0.028950 0.637600 0.307216 11.00000 0.02691 0.06149 = 0.06408 -0.02004 -0.00419 -0.01651 AFIX 23 H6A 2 -0.042141 0.593240 0.300275 11.00000 -1.20000 H6B 2 -0.021479 0.744469 0.293071 11.00000 -1.20000 AFIX 0 C13 1 0.497021 0.434848 0.145014 11.00000 0.03767 0.03657 = 0.03525 -0.00485 -0.00922 -0.01294 C7 1 0.199844 0.504897 0.199545 11.00000 0.03551 0.04425 = 0.04849 -0.00224 -0.01289 -0.02065 AFIX 43 H7 2 0.104384 0.502783 0.191715 11.00000 -1.20000 AFIX 0 N9 3 0.921035 0.323135 0.230613 11.00000 0.04276 0.06391 = 0.07307 -0.02313 -0.01664 -0.00502 N10 3 0.983075 0.299391 0.285608 11.00000 0.03983 0.04470 = 0.05715 -0.00744 0.00001 -0.01427 N4 3 0.614604 0.687667 0.337952 11.00000 0.02813 0.04574 = 0.05912 -0.01726 -0.00241 -0.01457 HKLF 4 1.0 1.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 REM IM118_a.res in P-1 REM wR2 = 0.0751, GooF = S = 1.050, Restrained GooF = 1.050 for all data REM R1 = 0.0280 for 4579 Fo > 4sig(Fo) and 0.0322 for all 5045 data REM 365 parameters refined using 0 restraints END WGHT 0.0326 1.0023 REM Highest difference peak 0.373, deepest hole -0.508, 1-sigma level 0.061 Q1 1 0.3028 0.8643 0.1550 11.00000 0.05 0.37 Q2 1 0.0969 0.9398 0.1463 11.00000 0.05 0.37 Q3 1 0.3667 1.0198 0.1467 11.00000 0.05 0.34 Q4 1 0.8096 0.8670 0.1089 11.00000 0.05 0.26 Q5 1 0.6978 0.3626 0.0881 11.00000 0.05 0.24 Q6 1 0.3292 0.8689 0.2140 11.00000 0.05 0.24 Q7 1 0.2554 1.0141 0.0945 11.00000 0.05 0.23 Q8 1 0.2901 0.4529 0.1762 11.00000 0.05 0.22 Q9 1 0.4099 0.1868 0.4757 11.00000 0.05 0.22 Q10 1 0.7267 0.6995 0.1239 11.00000 0.05 0.22 Q11 1 0.1350 0.7532 0.3985 11.00000 0.05 0.22 Q12 1 0.1877 0.6452 0.4391 11.00000 0.05 0.21 Q13 1 0.5491 0.4402 0.0980 11.00000 0.05 0.20 Q14 1 0.4182 0.4120 0.1541 11.00000 0.05 0.20 Q15 1 0.7326 0.4639 0.0954 11.00000 0.05 0.20 Q16 1 0.2450 0.6431 0.3609 11.00000 0.05 0.20 Q17 1 0.7824 0.6830 0.1835 11.00000 0.05 0.19 Q18 1 0.4426 0.8226 0.1771 11.00000 0.05 0.19 Q19 1 0.1358 0.6447 0.3923 11.00000 0.05 0.19 Q20 1 0.6215 0.5997 0.2543 11.00000 0.05 0.19 ; _shelx_res_checksum 78458 _shelx_hkl_file ; -2 0 0 953.50 43.00 -2 0 0 931.11 42.90 -2 0 0 938.01 43.40 -2 0 0 1026.80 43.90 -2 0 0 927.41 43.80 -2 0 0 967.50 43.20 -2 0 0 953.00 43.80 -2 0 0 948.51 43.10 -2 0 0 969.10 43.20 -2 0 0 970.60 43.50 -2 0 0 944.81 43.00 2 0 0 905.71 43.10 2 0 0 940.71 43.80 2 0 0 943.71 42.90 2 0 0 956.70 43.60 2 0 0 999.40 43.20 2 0 0 986.20 43.10 2 0 0 1029.00 44.10 2 0 0 932.51 43.10 2 0 0 927.11 43.80 -3 0 0 711.83 32.50 -3 0 0 719.73 32.60 -3 0 0 712.43 33.10 -3 0 0 696.83 33.50 -3 0 0 709.33 33.50 -3 0 0 717.93 32.50 -3 0 0 717.83 32.40 -3 0 0 685.63 32.30 -3 0 0 703.63 33.00 -3 0 0 758.22 33.80 -3 0 0 691.63 32.60 3 0 0 693.13 32.60 3 0 0 745.63 32.80 3 0 0 686.43 33.60 3 0 0 749.13 34.20 3 0 0 686.73 32.50 3 0 0 707.93 33.30 3 0 0 680.93 33.60 3 0 0 721.93 32.40 -4 0 0 23.90 2.30 -4 0 0 24.60 2.10 -4 0 0 23.30 3.00 -4 0 0 23.30 2.10 -4 0 0 27.70 3.20 -4 0 0 21.80 2.70 -4 0 0 25.40 2.40 -4 0 0 19.90 2.50 -4 0 0 24.10 3.40 -4 0 0 23.40 2.30 -4 0 0 26.10 2.70 4 0 0 23.10 3.20 4 0 0 24.40 2.30 4 0 0 27.40 3.10 4 0 0 23.00 2.10 4 0 0 20.90 3.00 4 0 0 21.00 3.40 -5 0 0 114.39 6.40 -5 0 0 113.19 6.50 -5 0 0 113.79 6.70 -5 0 0 100.89 6.70 -5 0 0 111.09 7.30 -5 0 0 121.09 7.50 5 0 0 109.39 8.20 5 0 0 114.99 6.50 5 0 0 109.39 9.40 5 0 0 107.99 8.30 5 0 0 111.79 7.80 -6 0 0 15.80 2.30 -6 0 0 13.80 2.30 -6 0 0 12.10 2.20 -6 0 0 11.60 2.20 6 0 0 12.00 4.60 6 0 0 12.10 3.30 6 0 0 15.10 2.20 6 0 0 7.90 4.00 -7 0 0 300.67 15.50 -7 0 0 309.37 15.80 -7 0 0 295.37 15.80 -7 0 0 304.57 17.00 7 0 0 302.47 17.60 7 0 0 298.87 18.70 7 0 0 303.67 18.60 -8 0 0 288.27 16.60 -8 0 0 289.67 15.20 -8 0 0 280.97 14.70 -8 0 0 269.67 18.50 -8 0 0 281.57 14.90 8 0 0 280.27 17.20 8 0 0 284.27 18.60 8 0 0 221.18 21.60 8 0 0 277.17 18.10 -9 0 0 151.98 10.00 -9 0 0 105.49 19.00 -9 0 0 157.98 17.20 -9 0 0 172.88 9.70 -9 0 0 162.68 9.80 -9 0 0 158.38 12.60 9 0 0 147.79 12.90 9 0 0 151.78 15.60 9 0 0 143.29 15.70 9 -1 0 55.39 8.40 9 -1 0 66.59 8.80 9 -1 0 67.39 11.70 -9 1 0 57.29 5.30 -9 1 0 67.19 7.50 -9 1 0 58.79 9.10 -9 1 0 56.79 6.10 -9 1 0 60.19 4.90 8 -1 0 140.59 15.70 8 -1 0 160.38 13.40 8 -1 0 189.38 14.50 -8 1 0 168.78 14.10 -8 1 0 178.38 10.80 -8 1 0 195.18 12.30 -8 1 0 175.58 9.90 -8 1 0 178.18 10.00 7 -1 0 139.69 13.10 7 -1 0 135.49 11.30 7 -1 0 129.99 11.20 -7 1 0 134.09 8.50 -7 1 0 133.39 7.90 -7 1 0 144.59 9.30 -7 1 0 128.99 11.30 -7 1 0 134.29 9.50 -7 1 0 126.39 7.70 6 -1 0 147.69 12.30 6 -1 0 137.69 10.70 6 -1 0 134.49 7.60 6 -1 0 131.19 10.50 -6 1 0 135.49 9.10 -6 1 0 132.09 7.60 -6 1 0 138.79 8.20 -6 1 0 133.39 10.70 -6 1 0 128.19 7.70 -6 1 0 136.49 7.70 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29.90 5.20 10 4 0 23.90 4.70 10 4 0 18.40 5.90 10 4 0 18.30 4.90 6 -5 0 24.20 2.60 6 -5 0 18.60 5.10 6 -5 0 20.30 5.30 6 -5 0 24.60 6.90 -6 5 0 19.10 4.30 -6 5 0 10.70 4.60 -6 5 0 19.50 3.10 5 -5 0 147.69 13.00 5 -5 0 145.49 8.20 5 -5 0 146.79 12.40 5 -5 0 147.99 12.80 -5 5 0 150.18 8.20 -5 5 0 158.28 9.00 -5 5 0 164.68 12.90 -5 5 0 141.69 10.50 4 -5 0 112.09 6.90 4 -5 0 119.39 10.50 4 -5 0 122.79 10.40 4 -5 0 109.39 10.50 -4 5 0 119.39 8.00 -4 5 0 108.79 10.00 -4 5 0 122.89 8.80 -4 5 0 112.19 6.60 3 -5 0 33.20 5.50 3 -5 0 31.10 5.60 3 -5 0 26.70 4.70 3 -5 0 28.90 3.30 -3 5 0 31.60 2.80 -3 5 0 27.10 4.00 -3 5 0 27.90 5.10 -3 5 0 27.70 2.90 2 -5 0 85.39 6.10 2 -5 0 95.19 8.10 2 -5 0 99.89 8.40 -2 5 0 85.89 7.50 -2 5 0 102.59 5.90 -2 5 0 94.99 5.80 -2 5 0 100.09 7.90 1 -5 0 5.30 2.10 1 -5 0 5.90 1.50 1 -5 0 0.00 1.50 -1 5 0 1.80 1.70 -1 5 0 2.40 1.10 -1 5 0 2.40 1.00 -1 5 0 2.30 1.40 0 -5 0 0.40 0.60 0 -5 0 0.60 0.80 0 -5 0 2.70 1.50 0 -5 0 -0.40 1.40 0 -5 0 1.70 1.20 0 -5 0 0.30 0.60 0 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73.99 -5 -5 0 73.49 5.70 -5 -5 0 75.09 5.80 5 5 0 79.09 5.50 5 5 0 74.79 5.90 5 5 0 78.69 5.50 5 5 0 72.99 9.10 5 5 0 72.09 8.50 -6 -5 0 139.29 9.00 -6 -5 0 114.39 10.70 -6 -5 0 146.09 8.70 -6 -5 0 99.79 9.10 -6 -5 0 127.09 8.50 6 5 0 123.49 8.10 6 5 0 131.59 8.30 6 5 0 125.69 8.60 6 5 0 105.69 10.70 -7 -5 0 639.54 30.40 -7 -5 0 565.14 27.30 -7 -5 0 655.03 28.80 -7 -5 0 603.94 29.50 -7 -5 0 586.24 29.60 7 5 0 560.64 29.40 7 5 0 511.65 32.30 7 5 0 550.44 28.90 -8 -5 0 30.00 4.70 -8 -5 0 36.60 4.70 -8 -5 0 33.50 4.40 -8 -5 0 44.00 4.80 -8 -5 0 28.30 4.10 -8 -5 0 46.30 5.60 8 5 0 35.40 4.70 8 5 0 37.90 4.60 8 5 0 24.60 6.40 -9 -5 0 3.50 3.10 -9 -5 0 1.10 2.50 -9 -5 0 0.80 2.30 -9 -5 0 -0.30 2.30 9 5 0 10.00 4.40 9 5 0 3.40 2.40 9 5 0 1.30 2.20 -10 -5 0 2.80 2.70 -10 -5 0 3.70 3.20 -10 -5 0 5.30 3.20 -10 -5 0 -1.00 2.90 -10 -5 0 2.80 2.50 10 5 0 -3.20 2.40 10 5 0 -2.00 2.50 10 5 0 3.50 4.50 10 5 0 -0.60 2.70 6 -6 0 165.18 15.50 6 -6 0 156.98 14.10 -6 6 0 133.09 9.00 -6 6 0 139.19 11.10 -6 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513.15 26.40 -2 -6 0 515.25 24.90 -2 -6 0 509.95 25.00 -2 -6 0 512.45 25.20 2 6 0 508.85 24.70 2 6 0 519.25 26.00 2 6 0 508.95 24.60 2 6 0 517.75 24.70 2 6 0 530.25 25.80 -3 -6 0 45.10 4.00 -3 -6 0 43.20 3.30 -3 -6 0 45.50 4.80 -3 -6 0 39.10 3.70 -3 -6 0 48.30 4.30 3 6 0 52.09 4.10 3 6 0 29.10 5.10 3 6 0 45.70 3.90 3 6 0 49.40 3.80 3 6 0 42.30 5.10 -4 -6 0 1118.49 51.39 -4 -6 0 1087.39 51.99 -4 -6 0 1162.98 50.79 -4 -6 0 1083.69 51.19 4 6 0 1007.70 52.29 4 6 0 1116.79 54.09 4 6 0 1088.59 50.79 4 6 0 1109.69 51.29 -5 -6 0 219.48 14.80 -5 -6 0 205.18 12.60 -5 -6 0 236.18 13.20 -5 -6 0 234.58 13.30 5 6 0 225.68 12.50 5 6 0 227.68 12.90 5 6 0 220.58 12.50 5 6 0 217.38 16.10 -6 -6 0 171.08 10.40 -6 -6 0 161.48 10.40 -6 -6 0 174.38 10.50 6 6 0 150.78 10.10 6 6 0 156.48 9.80 6 6 0 150.38 10.80 6 6 0 133.79 13.20 -7 -6 0 233.58 13.20 -7 -6 0 212.98 12.80 -7 -6 0 209.88 12.90 7 6 0 196.98 12.20 7 6 0 182.98 16.20 7 6 0 201.58 12.30 -8 -6 0 2.60 1.90 -8 -6 0 -1.20 1.90 -8 -6 0 1.40 2.00 8 6 0 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3.50 4.50 -8 -7 0 2.50 2.50 -8 -7 0 2.90 2.50 -8 -7 0 2.80 2.30 8 7 0 4.10 2.00 8 7 0 -0.10 1.90 8 7 0 0.90 4.10 -9 -7 0 20.10 4.40 -9 -7 0 21.30 4.30 9 7 0 7.30 5.80 9 7 0 13.20 3.40 9 7 0 9.80 5.10 -10 -7 0 54.99 7.00 -10 -7 0 65.89 7.80 -10 -7 0 63.99 7.40 -10 -7 0 53.69 6.50 10 7 0 55.99 6.80 10 7 0 39.90 6.40 4 -8 0 1.90 3.60 4 -8 0 0.00 4.20 -4 8 0 3.50 2.80 -4 8 0 3.60 1.80 -4 8 0 3.00 3.30 3 -8 0 9.40 3.10 3 -8 0 9.20 6.40 3 -8 0 6.40 4.30 -3 8 0 6.20 2.10 -3 8 0 6.60 4.30 -3 8 0 7.80 3.20 2 -8 0 27.20 4.60 2 -8 0 26.80 6.00 2 -8 0 33.60 6.80 -2 8 0 30.40 3.80 -2 8 0 27.00 4.90 -2 8 0 22.90 5.00 1 -8 0 334.57 20.80 1 -8 0 363.06 17.80 1 -8 0 330.07 21.00 -1 8 0 343.87 17.50 -1 8 0 319.67 19.20 -1 8 0 326.37 19.80 0 -8 0 392.96 22.00 0 -8 0 380.36 22.30 0 -8 0 359.16 21.50 0 8 0 360.66 20.70 0 8 0 376.66 21.00 0 8 0 372.86 19.10 -1 -8 0 6.30 3.20 -1 -8 0 5.30 1.30 -1 -8 0 2.20 1.70 -1 -8 0 2.70 1.20 -1 -8 0 5.10 2.40 1 8 0 3.20 2.10 1 8 0 2.90 2.20 1 8 0 4.90 1.80 -2 -8 0 363.96 18.90 -2 -8 0 368.66 18.30 -2 -8 0 356.26 19.70 -2 -8 0 378.46 21.40 2 8 0 375.36 20.30 2 8 0 356.86 20.50 2 8 0 362.96 18.80 -3 -8 0 16.30 4.00 -3 -8 0 13.60 3.00 -3 -8 0 13.30 2.60 -3 -8 0 14.10 2.70 3 8 0 13.50 3.30 3 8 0 15.40 4.00 3 8 0 11.70 2.40 3 8 0 18.60 3.10 3 8 0 13.30 2.70 -4 -8 0 218.78 14.40 -4 -8 0 256.97 14.10 -4 -8 0 259.47 14.50 -4 -8 0 250.37 15.60 -4 -8 0 253.87 12.80 4 8 0 244.18 16.80 4 8 0 258.67 14.10 4 8 0 270.17 14.40 -5 -8 0 70.19 7.00 -5 -8 0 71.79 6.30 -5 -8 0 64.99 6.10 -5 -8 0 64.59 5.30 5 8 0 67.29 6.10 5 8 0 68.69 8.00 5 8 0 58.99 9.10 5 8 0 72.29 6.00 -6 -8 0 10.00 2.80 -6 -8 0 10.60 3.50 -6 -8 0 8.90 3.20 6 8 0 11.90 3.10 6 8 0 11.60 2.80 6 8 0 13.30 5.10 6 8 0 10.70 3.00 -7 -8 0 15.20 3.50 -7 -8 0 7.20 3.20 -7 -8 0 6.70 2.90 7 8 0 4.40 2.20 7 8 0 12.50 6.00 7 8 0 9.10 2.40 -8 -8 0 1.80 2.70 -8 -8 0 5.40 2.90 -8 -8 0 11.90 3.50 8 8 0 3.90 2.70 8 8 0 8.20 2.70 8 8 0 2.90 5.40 -9 -8 0 44.20 7.40 -9 -8 0 45.10 6.20 -9 -8 0 50.39 6.60 9 8 0 28.70 9.20 9 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4.00 4 9 0 8.30 2.70 4 9 0 12.80 4.60 -5 -9 0 4.40 2.60 -5 -9 0 1.20 2.00 -5 -9 0 4.40 3.10 5 9 0 2.30 3.60 5 9 0 -0.50 3.50 5 9 0 2.00 2.00 -6 -9 0 86.19 8.50 -6 -9 0 84.79 7.70 -6 -9 0 85.49 7.60 6 9 0 81.29 11.20 6 9 0 99.79 7.90 6 9 0 95.99 7.60 -7 -9 0 7.40 3.30 -7 -9 0 6.70 3.00 -7 -9 0 2.40 2.80 7 9 0 -1.10 5.30 7 9 0 5.80 2.30 7 9 0 7.70 2.90 -8 -9 0 19.40 4.70 -8 -9 0 26.40 5.30 8 9 0 11.10 7.30 8 9 0 22.00 4.50 8 9 0 30.20 4.50 -9 -9 0 0.10 2.80 -9 -9 0 1.40 3.10 -9 -9 0 -4.10 2.70 9 9 0 -5.60 5.70 9 9 0 2.90 2.20 9 9 0 -2.90 2.10 1 -10 0 32.70 10.70 1 -10 0 47.20 5.70 1 -10 0 37.20 7.60 -1 10 0 35.50 6.30 -1 10 0 31.60 4.40 -1 10 0 42.90 6.60 0 -10 0 131.09 8.70 0 -10 0 108.59 10.60 0 -10 0 124.59 11.90 0 10 0 110.59 8.10 0 10 0 100.09 9.60 0 10 0 110.79 10.00 -1 -10 0 1.30 2.30 -1 -10 0 1.30 3.30 -1 -10 0 -1.90 1.00 -1 -10 0 0.60 2.00 1 10 0 -2.00 2.20 1 10 0 -4.10 1.90 1 10 0 0.40 1.80 -2 -10 0 91.39 9.60 -2 -10 0 97.99 6.10 -2 -10 0 89.79 7.20 -2 -10 0 86.59 8.10 2 10 0 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5.90 5 6 -3 92.99 8.50 -5 -6 3 78.49 6.20 -5 -6 3 77.29 6.10 -5 -6 3 74.49 6.00 4 6 -3 18.70 2.80 4 6 -3 7.80 4.30 -4 -6 3 16.00 3.10 -4 -6 3 16.30 2.80 3 6 -3 13.30 2.30 3 6 -3 11.80 1.90 3 6 -3 10.80 3.90 3 6 -3 17.50 2.50 3 6 -3 17.80 3.60 -3 -6 3 15.20 2.50 -3 -6 3 15.80 3.30 -3 -6 3 13.80 2.40 2 6 -3 18.90 2.60 2 6 -3 17.10 2.40 2 6 -3 15.60 3.80 2 6 -3 19.30 3.60 2 6 -3 17.90 2.50 -2 -6 3 22.40 2.80 -2 -6 3 14.70 2.20 -2 -6 3 15.50 2.80 -2 -6 3 17.40 3.50 -2 -6 3 17.70 2.40 1 6 -3 1235.98 58.69 1 6 -3 1267.87 59.59 1 6 -3 1279.67 57.29 1 6 -3 1269.47 58.99 -1 -6 3 1277.97 57.79 -1 -6 3 1279.07 59.59 -1 -6 3 1244.18 57.59 -1 -6 3 1211.28 56.79 0 6 -3 777.62 35.50 0 6 -3 764.32 37.70 0 -6 3 774.92 38.90 0 -6 3 730.03 34.60 0 -6 3 770.62 37.70 0 -6 3 765.72 35.90 0 -6 3 766.52 35.20 0 -6 3 793.02 35.60 -1 6 -3 14.60 2.00 -1 6 -3 14.20 2.90 1 -6 3 16.10 2.60 1 -6 3 13.40 3.30 1 -6 3 18.50 4.20 -2 6 -3 227.08 13.90 -2 6 -3 247.08 12.20 -2 6 -3 238.08 15.00 2 -6 3 234.08 15.40 2 -6 3 229.78 15.40 2 -6 3 253.97 14.00 -3 6 -3 22.10 4.00 -3 6 -3 21.20 2.60 -3 6 -3 19.60 4.30 3 -6 3 21.90 5.10 3 -6 3 21.20 4.10 3 -6 3 17.40 4.20 -4 6 -3 66.89 6.80 -4 6 -3 83.49 5.30 -4 6 -3 71.09 8.30 4 -6 3 82.69 9.20 4 -6 3 72.69 6.70 4 -6 3 83.99 9.60 -5 6 -3 68.19 8.70 -5 6 -3 69.19 5.00 5 -6 3 62.29 13.80 5 -6 3 60.29 8.70 5 -6 3 63.29 5.90 -6 6 -3 27.40 3.60 -6 6 -3 41.10 5.90 -6 6 -3 30.50 6.70 6 -6 3 26.30 4.10 6 -6 3 32.60 6.80 6 -6 3 32.50 7.90 10 5 -3 6.40 5.20 10 5 -3 5.00 3.10 10 5 -3 4.80 3.40 10 5 -3 0.90 2.70 -10 -5 3 7.60 3.30 -10 -5 3 1.70 2.90 -10 -5 3 3.60 2.80 -10 -5 3 2.50 2.80 9 5 -3 452.15 25.80 9 5 -3 332.87 27.60 9 5 -3 412.46 24.70 -9 -5 3 426.06 22.30 -9 -5 3 451.95 23.20 -9 -5 3 421.26 27.00 8 5 -3 42.70 5.20 8 5 -3 35.60 7.90 8 5 -3 39.20 5.90 -8 -5 3 44.80 4.60 -8 -5 3 51.19 5.20 -8 -5 3 29.50 4.70 -8 -5 3 45.30 3.90 -8 -5 3 39.20 4.80 -8 -5 3 48.00 5.50 -8 -5 3 44.90 4.60 7 5 -3 54.69 5.60 7 5 -3 49.10 8.90 -7 -5 3 59.19 5.80 -7 -5 3 62.99 4.70 -7 -5 3 65.79 5.80 -7 -5 3 60.49 5.40 -7 -5 3 67.99 6.10 6 5 -3 5.90 4.40 6 5 -3 17.20 6.00 6 5 -3 20.30 4.00 6 5 -3 17.80 3.10 -6 -5 3 16.70 3.30 -6 -5 3 20.90 2.80 -6 -5 3 14.80 2.90 -6 -5 3 18.00 3.80 5 5 -3 154.38 10.50 5 5 -3 141.59 14.80 5 5 -3 119.39 11.80 5 5 -3 143.39 8.70 -5 -5 3 148.19 9.00 -5 -5 3 150.28 9.10 -5 -5 3 145.69 8.50 4 5 -3 4.00 1.50 4 5 -3 3.90 2.70 4 5 -3 3.30 2.70 4 5 -3 1.80 2.30 -4 -5 3 5.30 1.70 -4 -5 3 4.50 1.60 -4 -5 3 3.80 1.50 3 5 -3 71.09 6.90 3 5 -3 62.99 4.60 3 5 -3 66.99 5.90 -3 -5 3 62.89 4.70 -3 -5 3 70.59 5.00 -3 -5 3 62.49 5.10 -3 -5 3 79.09 6.00 2 5 -3 123.19 7.50 2 5 -3 122.99 7.60 2 5 -3 136.29 9.10 2 5 -3 120.79 10.20 2 5 -3 131.89 8.80 2 5 -3 124.99 7.30 -2 -5 3 134.39 7.30 -2 -5 3 126.09 7.20 -2 -5 3 130.69 7.70 -2 -5 3 141.99 8.50 -2 -5 3 134.39 7.60 -2 -5 3 130.59 7.30 -2 -5 3 132.09 8.40 1 5 -3 607.44 28.50 1 5 -3 607.34 30.30 1 5 -3 605.64 29.60 1 5 -3 607.44 29.40 1 5 -3 619.04 29.80 1 5 -3 612.04 28.30 -1 -5 3 605.74 28.30 -1 -5 3 617.04 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5.20 -10 -4 3 5.40 2.90 -10 -4 3 3.90 3.00 -10 -4 3 5.80 3.00 9 4 -3 319.67 18.30 9 4 -3 311.67 19.20 9 4 -3 275.97 21.80 9 4 -3 316.27 20.40 -9 -4 3 328.97 18.20 -9 -4 3 323.77 19.30 -9 -4 3 345.47 17.70 8 4 -3 31.40 4.30 8 4 -3 38.20 5.90 8 4 -3 28.70 6.40 8 4 -3 28.20 4.30 -8 -4 3 32.30 4.30 -8 -4 3 38.30 5.00 -8 -4 3 35.70 4.60 7 4 -3 117.69 9.30 7 4 -3 104.89 7.30 7 4 -3 109.79 8.00 7 4 -3 117.29 11.40 -7 -4 3 111.29 7.10 -7 -4 3 107.49 8.60 -7 -4 3 109.39 8.00 -7 -4 3 104.99 7.50 -7 -4 3 122.19 7.00 6 4 -3 13.40 2.20 6 4 -3 9.70 2.30 6 4 -3 10.10 4.40 6 4 -3 11.40 3.10 -6 -4 3 12.60 2.50 -6 -4 3 14.60 2.40 -6 -4 3 17.90 2.30 -6 -4 3 13.60 2.90 -6 -4 3 13.50 2.80 -6 -4 3 13.60 2.80 5 4 -3 92.79 9.50 5 4 -3 93.19 6.50 5 4 -3 101.59 7.60 -5 -4 3 92.19 6.60 -5 -4 3 98.59 6.60 -5 -4 3 101.39 7.80 -5 -4 3 97.49 5.90 4 4 -3 1.70 1.10 4 4 -3 -1.40 2.30 4 4 -3 4.30 2.50 4 4 -3 2.00 1.70 -4 -4 3 1.40 1.10 -4 -4 3 0.70 1.70 -4 -4 3 1.80 1.20 -4 -4 3 1.20 1.30 3 4 -3 1556.04 72.49 3 4 -3 1640.64 75.99 3 4 -3 1742.13 73.99 -3 -4 3 1637.44 74.99 -3 -4 3 1586.84 72.79 -3 -4 3 1584.04 72.79 -3 -4 3 1579.84 72.59 -3 -4 3 1504.35 75.29 2 4 -3 917.01 42.30 2 4 -3 916.51 42.20 2 4 -3 939.31 43.90 2 4 -3 892.61 41.70 2 4 -3 914.01 41.60 2 4 -3 912.51 43.00 -2 -4 3 1014.80 44.10 -2 -4 3 874.11 41.80 -2 -4 3 901.61 42.00 -2 -4 3 906.41 42.50 -2 -4 3 896.71 41.80 -2 -4 3 887.81 42.20 1 4 -3 207.28 11.00 1 4 -3 200.48 11.80 1 4 -3 203.58 11.00 1 4 -3 206.28 12.10 1 4 -3 199.78 10.90 1 4 -3 198.48 10.20 1 4 -3 213.98 11.50 1 4 -3 218.68 10.60 -1 -4 3 207.98 10.80 -1 -4 3 204.28 11.40 -1 -4 3 206.68 10.20 -1 -4 3 216.98 11.60 -1 -4 3 196.78 10.50 -1 -4 3 214.68 10.60 -1 -4 3 192.98 10.50 0 4 -3 1854.11 84.69 0 4 -3 1859.41 85.59 0 4 -3 1955.60 86.79 0 4 -3 1869.11 83.89 0 4 -3 1839.62 84.89 0 4 -3 1951.40 88.09 0 4 -3 1866.11 83.79 0 -4 3 1923.01 83.79 0 -4 3 1808.12 83.39 0 -4 3 1843.62 85.59 0 -4 3 1888.11 83.89 0 -4 3 1868.41 85.29 0 -4 3 1866.51 85.79 0 -4 3 1831.32 84.29 -1 4 -3 0.80 0.90 -1 4 -3 1.50 1.20 -1 4 -3 2.50 1.20 -1 4 -3 1.90 0.60 1 -4 3 0.50 1.10 1 -4 3 -0.20 0.90 1 -4 3 -0.60 1.20 -2 4 -3 286.77 13.70 -2 4 -3 290.87 16.30 -2 4 -3 294.17 15.20 -2 4 -3 273.97 15.00 2 -4 3 292.87 16.50 2 -4 3 283.37 16.40 2 -4 3 306.57 15.40 2 -4 3 265.87 13.70 -3 4 -3 17.50 3.00 -3 4 -3 14.20 3.60 -3 4 -3 20.30 1.90 3 -4 3 18.10 3.20 3 -4 3 12.20 1.80 3 -4 3 14.80 3.60 3 -4 3 21.60 4.90 -4 4 -3 4.40 2.60 -4 4 -3 5.90 2.20 -4 4 -3 6.30 1.40 4 -4 3 2.50 2.20 4 -4 3 3.30 1.70 4 -4 3 6.00 3.00 -5 4 -3 207.18 12.50 -5 4 -3 198.28 10.50 -5 4 -3 192.68 14.20 5 -4 3 218.48 15.60 5 -4 3 199.18 14.50 5 -4 3 182.38 11.30 -6 4 -3 40.60 5.30 -6 4 -3 44.50 7.20 6 -4 3 40.00 4.50 6 -4 3 49.40 8.00 6 -4 3 40.60 6.80 -7 4 -3 4.20 2.30 -7 4 -3 1.60 1.60 -7 4 -3 5.20 3.60 7 -4 3 4.80 2.00 7 -4 3 6.70 5.00 7 -4 3 2.40 3.10 10 3 -3 65.99 9.50 10 3 -3 57.59 7.80 10 3 -3 65.89 8.90 -10 -3 3 58.09 7.90 -10 -3 3 65.89 6.50 -10 -3 3 58.59 5.80 -10 -3 3 60.89 6.80 9 3 -3 9.80 3.50 9 3 -3 7.70 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25.30 4.10 4 7 -5 86.19 9.90 4 7 -5 83.69 6.40 -4 -7 5 91.89 6.70 -4 -7 5 88.79 6.40 -4 -7 5 91.49 7.10 3 7 -5 3.20 1.60 3 7 -5 4.40 1.50 3 7 -5 3.20 3.60 3 7 -5 3.40 2.80 -3 -7 5 6.90 2.70 -3 -7 5 6.50 1.90 -3 -7 5 8.60 2.40 2 7 -5 206.28 12.50 2 7 -5 210.78 14.10 2 7 -5 221.98 11.60 2 7 -5 195.48 14.70 -2 -7 5 232.28 15.70 -2 -7 5 216.38 11.90 -2 -7 5 219.58 11.20 1 7 -5 -1.30 1.70 1 7 -5 0.40 1.20 1 7 -5 2.80 2.60 1 7 -5 0.80 2.00 -1 -7 5 2.50 1.60 -1 -7 5 3.60 2.50 -1 -7 5 0.90 1.60 -1 -7 5 3.30 1.90 -1 -7 5 1.00 1.00 0 7 -5 63.49 7.00 0 7 -5 69.49 7.20 0 7 -5 64.69 6.50 0 7 -5 73.79 4.90 0 -7 5 73.29 4.30 0 -7 5 83.59 7.90 0 -7 5 74.09 5.70 0 -7 5 71.89 6.80 0 -7 5 71.89 4.80 -1 7 -5 4.60 2.50 -1 7 -5 9.10 3.40 -1 7 -5 11.90 3.60 -1 7 -5 8.00 1.70 1 -7 5 7.00 3.20 1 -7 5 10.00 3.30 1 -7 5 10.80 2.80 -2 7 -5 286.47 17.00 -2 7 -5 282.87 14.50 -2 7 -5 277.27 18.80 -2 7 -5 301.37 18.40 2 -7 5 287.37 18.90 2 -7 5 278.17 18.30 2 -7 5 332.47 17.50 -3 7 -5 154.38 13.30 -3 7 -5 152.18 8.50 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25.50 5.10 -3 -6 5 22.60 3.20 -3 -6 5 24.10 3.70 -3 -6 5 19.40 2.70 2 6 -5 142.99 9.40 2 6 -5 112.49 11.50 2 6 -5 143.19 8.10 2 6 -5 168.38 14.70 -2 -6 5 152.98 9.70 -2 -6 5 139.59 7.90 -2 -6 5 142.49 8.50 1 6 -5 141.29 11.80 1 6 -5 148.89 11.40 1 6 -5 144.09 10.00 1 6 -5 152.48 8.80 1 6 -5 147.99 8.30 -1 -6 5 150.18 8.80 -1 -6 5 159.98 8.40 -1 -6 5 166.48 9.80 -1 -6 5 159.28 10.50 -1 -6 5 158.98 11.70 0 6 -5 609.64 30.60 0 6 -5 624.64 31.50 0 6 -5 601.44 33.70 0 6 -5 627.34 28.70 0 6 -5 598.84 28.90 0 -6 5 620.84 31.00 0 -6 5 624.64 31.60 0 -6 5 624.14 28.20 0 -6 5 598.84 28.80 0 -6 5 626.44 28.70 -1 6 -5 5.70 2.50 -1 6 -5 8.20 3.10 -1 6 -5 9.80 1.60 -1 6 -5 5.00 2.10 1 -6 5 10.40 2.90 1 -6 5 10.40 3.40 1 -6 5 10.40 1.70 1 -6 5 8.40 2.60 -2 6 -5 118.29 9.90 -2 6 -5 103.39 9.00 -2 6 -5 104.39 8.00 -2 6 -5 97.89 6.20 2 -6 5 108.39 6.20 2 -6 5 115.29 9.80 2 -6 5 125.89 8.60 2 -6 5 103.79 9.20 -3 6 -5 48.20 3.30 -3 6 -5 34.20 6.50 -3 6 -5 42.30 5.00 -3 6 -5 40.20 6.10 3 -6 5 37.50 6.40 3 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33.80 7.50 -8 -5 8 31.20 4.60 -8 -5 8 44.60 4.80 -8 -5 8 34.60 4.70 7 5 -8 38.50 5.60 7 5 -8 46.00 8.50 7 5 -8 56.79 10.50 7 5 -8 57.29 5.20 -7 -5 8 55.19 5.40 -7 -5 8 48.70 5.20 -7 -5 8 59.39 5.80 -7 -5 8 74.19 7.50 6 5 -8 38.30 8.30 6 5 -8 39.60 5.50 6 5 -8 40.60 7.80 6 5 -8 55.89 5.40 -6 -5 8 44.80 4.60 -6 -5 8 58.59 5.50 -6 -5 8 57.79 5.00 -6 -5 8 44.00 5.00 5 5 -8 259.67 14.80 5 5 -8 245.18 20.00 5 5 -8 229.48 19.40 -5 -5 8 294.47 14.70 -5 -5 8 275.17 14.40 -5 -5 8 275.47 14.70 -5 -5 8 297.07 15.20 4 5 -8 340.57 17.80 4 5 -8 297.97 18.70 4 5 -8 353.26 17.80 4 5 -8 275.27 23.40 4 5 -8 332.57 23.00 4 5 -8 329.27 18.90 -4 -5 8 348.57 17.30 -4 -5 8 372.76 17.70 -4 -5 8 360.56 17.40 -4 -5 8 396.76 18.40 -4 -5 8 354.66 17.60 3 5 -8 65.49 8.40 3 5 -8 57.89 4.60 3 5 -8 40.20 9.20 3 5 -8 57.79 5.90 -3 -5 8 64.09 5.70 -3 -5 8 67.59 5.30 -3 -5 8 56.79 4.80 -3 -5 8 62.19 4.40 2 5 -8 315.27 22.20 2 5 -8 337.17 18.20 2 5 -8 331.17 16.70 -2 -5 8 341.37 17.10 -2 -5 8 341.47 16.60 -2 -5 8 352.56 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98.59 12.10 -6 5 -8 101.19 10.40 6 -5 8 103.69 11.00 6 -5 8 91.39 12.20 6 -5 8 99.39 9.40 -9 -4 8 14.30 2.90 -9 -4 8 12.10 3.20 -9 -4 8 13.90 3.50 8 4 -8 58.69 7.00 8 4 -8 70.89 11.90 8 4 -8 70.19 9.70 -8 -4 8 64.99 6.00 -8 -4 8 61.59 5.40 -8 -4 8 66.89 6.50 7 4 -8 333.77 22.60 7 4 -8 324.87 18.70 7 4 -8 289.37 22.90 -7 -4 8 328.97 17.70 -7 -4 8 356.76 17.40 -7 -4 8 361.56 18.20 6 4 -8 3.40 3.10 6 4 -8 5.50 4.20 6 4 -8 1.70 2.70 6 4 -8 2.00 2.10 -6 -4 8 2.00 1.60 -6 -4 8 5.10 2.00 -6 -4 8 5.10 2.20 5 4 -8 214.78 12.40 5 4 -8 222.08 17.10 5 4 -8 189.88 15.80 5 4 -8 214.08 12.30 -5 -4 8 221.28 11.60 -5 -4 8 179.38 12.80 -5 -4 8 212.58 11.60 -5 -4 8 232.88 12.00 4 4 -8 650.03 31.80 4 4 -8 679.43 32.70 4 4 -8 623.94 36.80 4 4 -8 593.14 37.30 -4 -4 8 681.33 31.30 -4 -4 8 675.13 31.50 -4 -4 8 712.83 31.70 3 4 -8 193.68 18.50 3 4 -8 259.17 13.40 3 4 -8 255.57 17.70 3 4 -8 250.07 14.00 -3 -4 8 300.07 19.00 -3 -4 8 268.97 13.30 -3 -4 8 256.87 13.20 -3 -4 8 262.67 13.00 2 4 -8 39.60 4.60 2 4 -8 35.80 3.30 2 4 -8 40.20 6.30 2 4 -8 40.60 4.40 -2 -4 8 40.70 3.50 -2 -4 8 38.50 3.40 -2 -4 8 48.60 4.70 -2 -4 8 42.40 4.10 -2 -4 8 41.00 3.10 -2 -4 8 47.50 3.50 1 4 -8 266.57 15.00 1 4 -8 260.17 12.80 1 4 -8 213.68 16.60 1 4 -8 254.47 15.50 -1 -4 8 288.47 15.30 -1 -4 8 262.67 14.70 -1 -4 8 266.67 12.90 -1 -4 8 262.87 13.40 -1 -4 8 274.77 13.00 -1 -4 8 253.97 12.50 0 4 -8 53.59 6.80 0 4 -8 59.49 3.50 0 4 -8 51.99 5.20 0 4 -8 49.60 6.70 0 -4 8 61.19 4.10 0 -4 8 61.09 5.80 0 -4 8 60.99 3.60 0 -4 8 69.39 4.80 0 -4 8 59.69 3.30 -1 4 -8 87.69 8.50 -1 4 -8 97.49 9.20 -1 4 -8 90.69 6.60 -1 4 -8 94.89 6.00 1 -4 8 89.39 6.90 1 -4 8 95.69 8.20 1 -4 8 99.49 5.70 -2 4 -8 148.59 10.60 -2 4 -8 150.98 9.10 -2 4 -8 143.39 11.40 -2 4 -8 147.29 8.60 2 -4 8 154.88 11.40 2 -4 8 141.59 7.90 2 -4 8 145.19 10.90 2 -4 8 146.89 11.20 -3 4 -8 591.64 33.00 -3 4 -8 575.54 29.70 -3 4 -8 615.24 28.30 -3 4 -8 618.34 31.70 3 -4 8 641.04 29.20 3 -4 8 602.04 33.10 3 -4 8 609.24 32.00 3 -4 8 620.04 30.90 -4 4 -8 829.02 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4.50 2.50 -8 -5 9 2.20 2.50 7 5 -9 27.50 6.80 7 5 -9 22.50 4.30 7 5 -9 29.80 4.60 7 5 -9 28.20 10.80 -7 -5 9 26.40 4.00 -7 -5 9 33.90 4.20 6 5 -9 57.19 6.00 6 5 -9 60.39 10.90 6 5 -9 61.39 5.60 6 5 -9 62.79 9.50 -6 -5 9 71.09 6.00 -6 -5 9 70.59 5.60 -6 -5 9 73.99 6.50 -6 -5 9 66.09 5.50 5 5 -9 70.49 11.00 5 5 -9 71.09 5.90 5 5 -9 47.70 9.40 5 5 -9 59.99 5.70 -5 -5 9 66.79 5.30 -5 -5 9 67.79 5.70 -5 -5 9 78.19 5.80 -5 -5 9 80.49 7.60 4 5 -9 22.30 8.00 4 5 -9 28.00 4.60 4 5 -9 24.90 4.50 4 5 -9 33.10 3.90 4 5 -9 31.30 4.20 4 5 -9 32.20 7.30 -4 -5 9 35.80 4.40 -4 -5 9 27.70 3.40 -4 -5 9 38.40 4.00 -4 -5 9 38.50 3.90 -4 -5 9 28.70 3.50 3 5 -9 1.30 1.90 3 5 -9 2.80 2.40 3 5 -9 0.40 3.30 3 5 -9 5.30 1.70 3 5 -9 2.30 4.80 3 5 -9 -2.10 3.10 -3 -5 9 4.80 1.40 -3 -5 9 6.20 1.80 -3 -5 9 1.50 1.80 -3 -5 9 3.50 1.70 2 5 -9 130.29 11.10 2 5 -9 130.19 7.50 -2 -5 9 138.79 7.60 -2 -5 9 131.79 9.00 -2 -5 9 124.59 7.20 -2 -5 9 130.59 8.00 1 5 -9 137.39 7.60 1 5 -9 128.89 11.90 -1 -5 9 140.79 7.80 -1 -5 9 156.88 7.80 -1 -5 9 135.99 7.30 -1 -5 9 142.39 8.50 -1 -5 9 144.19 10.00 0 5 -9 -3.60 2.30 0 5 -9 -0.80 2.40 0 5 -9 0.30 0.80 0 -5 9 2.40 1.70 0 -5 9 -0.40 0.90 0 -5 9 0.00 0.70 0 -5 9 0.20 2.20 0 -5 9 0.80 1.10 -1 5 -9 7.90 3.20 -1 5 -9 9.60 2.80 -1 5 -9 8.50 3.50 1 -5 9 10.90 2.00 1 -5 9 8.70 3.70 1 -5 9 5.90 2.50 -2 5 -9 66.89 7.50 -2 5 -9 73.19 8.60 -2 5 -9 64.29 4.90 -2 5 -9 70.39 6.10 2 -5 9 70.69 7.40 2 -5 9 78.09 6.80 2 -5 9 63.69 4.70 2 -5 9 63.39 8.00 -3 5 -9 1.40 1.30 -3 5 -9 2.20 3.20 -3 5 -9 2.60 1.90 -3 5 -9 4.80 3.00 3 -5 9 2.50 2.80 3 -5 9 1.90 3.10 3 -5 9 0.90 2.40 -4 5 -9 42.40 5.10 -4 5 -9 40.60 6.60 -4 5 -9 38.70 7.40 4 -5 9 43.10 8.50 4 -5 9 40.00 6.20 4 -5 9 43.50 6.70 -5 5 -9 3.00 4.30 -5 5 -9 4.80 2.50 -5 5 -9 4.90 3.40 5 -5 9 8.20 3.80 5 -5 9 7.10 3.70 5 -5 9 7.90 4.70 -6 5 -9 3.60 4.40 -6 5 -9 2.50 3.70 -6 5 -9 3.90 2.90 6 -5 9 11.30 4.50 6 -5 9 9.50 4.40 6 -5 9 7.40 5.20 8 4 -9 18.30 6.40 8 4 -9 11.80 5.10 8 4 -9 12.20 3.80 -8 -4 9 11.10 3.20 -8 -4 9 10.30 2.80 -8 -4 9 14.50 3.10 7 4 -9 5.90 3.90 7 4 -9 8.30 4.90 7 4 -9 6.80 2.90 -7 -4 9 6.20 2.10 -7 -4 9 7.70 2.70 -7 -4 9 10.10 2.70 6 4 -9 -3.80 3.10 6 4 -9 2.00 1.90 6 4 -9 -0.50 3.10 -6 -4 9 1.10 1.50 -6 -4 9 1.60 1.90 -6 -4 9 1.90 2.00 5 4 -9 4.80 4.00 5 4 -9 10.00 2.70 5 4 -9 7.00 3.90 -5 -4 9 10.40 2.40 -5 -4 9 9.60 2.20 -5 -4 9 11.70 2.50 -5 -4 9 11.90 3.10 4 4 -9 332.47 19.40 4 4 -9 318.17 24.10 4 4 -9 367.46 23.40 -4 -4 9 367.16 17.80 -4 -4 9 353.56 19.90 -4 -4 9 361.26 17.60 3 4 -9 126.29 8.60 3 4 -9 103.99 13.70 3 4 -9 134.99 8.10 -3 -4 9 131.19 7.50 -3 -4 9 150.98 9.90 -3 -4 9 133.59 8.10 -3 -4 9 128.89 7.70 -3 -4 9 132.19 8.40 2 4 -9 193.98 21.90 2 4 -9 260.97 13.20 2 4 -9 268.87 17.30 2 4 -9 249.78 14.90 -2 -4 9 250.67 12.70 -2 -4 9 261.17 13.10 -2 -4 9 281.17 15.50 -2 -4 9 265.07 14.40 -2 -4 9 277.67 16.10 1 4 -9 501.55 26.00 1 4 -9 457.55 22.50 -1 -4 9 473.35 22.30 -1 -4 9 482.75 24.90 -1 -4 9 534.15 23.70 -1 -4 9 435.86 25.50 -1 -4 9 483.55 22.80 0 4 -9 244.28 17.20 0 4 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7 -4 9 32.30 9.20 8 3 -9 -0.30 3.30 8 3 -9 3.60 3.60 -8 -3 9 4.20 2.20 -8 -3 9 1.00 2.30 -8 -3 9 3.80 2.00 7 3 -9 14.10 5.50 7 3 -9 17.80 4.40 7 3 -9 19.70 5.50 -7 -3 9 17.30 2.80 -7 -3 9 22.30 3.50 -7 -3 9 16.70 3.10 6 3 -9 1.80 3.30 6 3 -9 13.00 3.50 6 3 -9 7.10 3.70 -6 -3 9 8.30 2.10 -6 -3 9 10.20 2.60 -6 -3 9 10.20 2.40 5 3 -9 92.29 7.70 5 3 -9 75.89 9.30 5 3 -9 93.69 10.30 -5 -3 9 91.79 6.20 -5 -3 9 91.29 6.30 -5 -3 9 92.79 5.90 4 3 -9 1210.28 58.09 4 3 -9 1099.89 61.59 4 3 -9 1187.28 61.09 -4 -3 9 1269.07 55.39 -4 -3 9 1254.27 55.69 -4 -3 9 1234.18 56.39 3 3 -9 671.63 50.99 3 3 -9 790.22 41.20 -3 -3 9 829.92 39.00 -3 -3 9 800.92 35.90 -3 -3 9 722.03 39.30 -3 -3 9 803.12 36.10 2 3 -9 154.58 10.00 2 3 -9 165.58 12.70 -2 -3 9 172.58 9.10 -2 -3 9 169.78 9.20 -2 -3 9 174.28 8.70 -2 -3 9 162.48 10.00 -2 -3 9 181.48 11.90 1 3 -9 1331.37 61.69 1 3 -9 1227.78 60.39 -1 -3 9 1264.57 58.79 -1 -3 9 1360.06 58.49 -1 -3 9 1266.97 60.29 -1 -3 9 1270.97 57.79 0 3 -9 295.27 21.40 0 3 -9 314.97 21.60 0 3 -9 356.76 18.80 0 -3 9 369.06 18.00 0 -3 9 351.26 19.40 0 -3 9 350.86 16.10 0 -3 9 374.56 17.20 0 -3 9 376.76 16.50 -1 3 -9 10.30 3.70 -1 3 -9 13.90 3.80 -1 3 -9 10.70 2.30 1 -3 9 13.60 2.10 1 -3 9 9.50 2.30 1 -3 9 10.30 3.40 -2 3 -9 45.40 6.50 -2 3 -9 47.00 4.00 -2 3 -9 41.90 3.60 2 -3 9 46.10 6.10 2 -3 9 48.80 5.30 2 -3 9 46.10 4.10 -3 3 -9 24.00 5.20 -3 3 -9 26.10 4.60 -3 3 -9 29.50 2.80 -3 3 -9 32.10 3.30 3 -3 9 24.00 4.20 3 -3 9 25.50 4.70 3 -3 9 25.00 2.90 3 -3 9 28.10 5.70 -4 3 -9 48.40 7.30 -4 3 -9 47.40 4.40 -4 3 -9 51.69 6.20 -4 3 -9 46.80 3.70 4 -3 9 33.40 5.30 4 -3 9 53.09 8.00 4 -3 9 51.69 6.50 4 -3 9 52.89 4.10 -5 3 -9 17.80 4.20 -5 3 -9 24.20 5.80 -5 3 -9 21.00 3.40 -5 3 -9 15.80 3.40 5 -3 9 27.40 3.20 5 -3 9 20.50 6.30 5 -3 9 22.20 5.00 5 -3 9 28.10 5.10 -6 3 -9 8.90 2.40 -6 3 -9 3.40 3.00 -6 3 -9 5.00 1.60 -6 3 -9 2.70 3.60 6 -3 9 9.70 5.30 6 -3 9 6.40 3.30 6 -3 9 6.60 3.10 6 -3 9 6.10 1.80 -7 3 -9 301.57 21.80 -7 3 -9 280.57 18.90 -7 3 -9 272.37 16.30 7 -3 9 306.77 23.80 7 -3 9 280.97 14.40 7 -3 9 293.27 17.80 7 -3 9 284.27 19.70 8 2 -9 5.50 4.40 8 2 -9 2.60 3.30 8 2 -9 3.70 4.50 -8 -2 9 -0.80 2.80 -8 -2 9 1.40 2.20 -8 -2 9 5.30 2.20 -8 -2 9 1.90 1.50 7 2 -9 20.10 5.70 7 2 -9 26.80 5.20 7 2 -9 17.80 5.40 -7 -2 9 21.90 3.50 -7 -2 9 15.70 3.10 -7 -2 9 15.50 2.50 6 2 -9 93.59 8.60 6 2 -9 86.29 9.90 6 2 -9 90.29 10.20 -6 -2 9 85.39 5.50 -6 -2 9 79.69 6.20 -6 -2 9 95.09 6.50 5 2 -9 57.69 6.50 5 2 -9 56.29 7.60 5 2 -9 52.79 7.50 -5 -2 9 56.89 4.60 -5 -2 9 50.59 4.60 -5 -2 9 55.89 4.00 4 2 -9 308.67 20.70 4 2 -9 304.77 21.00 4 2 -9 331.77 18.80 -4 -2 9 332.27 16.30 -4 -2 9 313.67 15.70 -4 -2 9 332.57 18.30 3 2 -9 311.57 18.90 3 2 -9 326.67 19.90 3 2 -9 288.97 20.70 -3 -2 9 337.77 15.90 -3 -2 9 313.07 15.60 -3 -2 9 327.67 15.70 2 2 -9 312.57 18.50 2 2 -9 249.48 20.20 2 2 -9 296.47 15.30 -2 -2 9 317.97 14.60 -2 -2 9 322.27 14.90 -2 -2 9 254.87 17.80 -2 -2 9 323.77 14.90 -2 -2 9 301.07 16.10 1 2 -9 1707.63 83.19 1 2 -9 1693.23 81.59 -1 -2 9 1819.72 80.19 -1 -2 9 1757.52 79.49 -1 -2 9 1847.52 81.19 -1 -2 9 1661.23 81.99 -1 -2 9 1879.71 80.19 -1 -2 9 1790.02 80.49 -1 -2 9 1840.82 84.49 0 2 -9 468.75 25.00 0 2 -9 462.95 24.40 0 -2 9 490.75 22.90 0 -2 9 522.35 23.40 0 -2 9 462.25 23.50 0 -2 9 497.55 22.30 0 -2 9 480.45 21.90 0 -2 9 459.45 25.10 -1 2 -9 47.70 6.90 -1 2 -9 52.79 4.50 -1 2 -9 61.79 6.80 1 -2 9 63.79 5.00 1 -2 9 62.09 4.30 1 -2 9 54.29 6.00 1 -2 9 56.69 4.10 -2 2 -9 956.20 46.30 -2 2 -9 903.71 48.20 -2 2 -9 949.31 43.80 -2 2 -9 909.91 43.70 2 -2 9 986.40 44.10 2 -2 9 954.60 44.80 2 -2 9 988.60 45.10 2 -2 9 935.51 47.40 -3 2 -9 12.30 3.90 -3 2 -9 21.20 3.80 -3 2 -9 13.40 2.00 -3 2 -9 14.30 2.10 3 -2 9 17.10 4.30 3 -2 9 17.40 2.70 3 -2 9 13.50 3.20 3 -2 9 15.50 2.60 -4 2 -9 109.49 10.20 -4 2 -9 105.19 6.60 -4 2 -9 97.19 6.00 -4 2 -9 107.19 8.40 4 -2 9 117.19 8.50 4 -2 9 94.19 8.60 4 -2 9 106.89 9.00 4 -2 9 90.89 10.10 -5 2 -9 23.90 5.60 -5 2 -9 30.80 2.80 -5 2 -9 32.80 5.00 -5 2 -9 28.20 3.30 5 -2 9 32.60 3.70 5 -2 9 34.60 7.40 5 -2 9 27.40 5.10 5 -2 9 33.80 5.30 -6 2 -9 3.70 3.50 -6 2 -9 1.80 1.60 -6 2 -9 -0.70 2.00 6 -2 9 2.90 4.00 6 -2 9 0.80 1.60 6 -2 9 4.00 2.80 6 -2 9 -1.50 1.90 -7 2 -9 109.79 7.10 -7 2 -9 93.19 5.40 -7 2 -9 94.29 5.70 -7 2 -9 107.29 9.80 -7 2 -9 98.89 11.30 -7 2 -9 92.89 7.40 7 -2 9 88.69 13.20 7 -2 9 93.49 9.90 7 -2 9 104.39 7.00 7 -2 9 97.69 8.80 -8 2 -9 125.39 7.30 -8 2 -9 133.29 8.50 -8 2 -9 138.09 14.30 -8 2 -9 143.79 9.80 -8 2 -9 153.68 12.70 8 -2 9 134.69 8.60 8 -2 9 141.49 16.90 8 -2 9 126.69 10.40 8 -2 9 137.09 12.50 8 1 -9 0.00 3.00 8 1 -9 1.30 3.60 8 1 -9 -1.30 3.60 -8 -1 9 1.70 2.20 -8 -1 9 3.60 3.00 -8 -1 9 2.80 2.10 -8 -1 9 0.40 1.20 7 1 -9 37.70 7.60 7 1 -9 29.10 6.30 7 1 -9 32.80 6.30 -7 -1 9 29.00 2.70 -7 -1 9 30.10 5.40 -7 -1 9 31.00 4.50 -7 -1 9 35.80 4.20 6 1 -9 200.38 16.00 6 1 -9 218.08 16.20 6 1 -9 219.78 15.20 -6 -1 9 191.68 10.40 -6 -1 9 217.68 11.70 -6 -1 9 213.08 11.90 5 1 -9 276.87 17.00 5 1 -9 260.37 17.80 5 1 -9 226.48 14.60 5 1 -9 249.97 17.50 -5 -1 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243.88 17.10 -5 5 -10 76.29 6.90 -5 5 -10 76.59 9.00 -5 5 -10 61.59 10.00 5 -5 10 90.09 11.10 5 -5 10 75.09 9.30 5 -5 10 57.49 8.10 8 4 -10 -1.80 4.40 8 4 -10 -0.50 3.50 8 4 -10 5.20 4.50 -8 -4 10 5.10 2.30 -8 -4 10 5.10 2.70 -8 -4 10 5.90 2.40 7 4 -10 284.17 26.60 7 4 -10 299.27 23.90 7 4 -10 311.67 18.90 -7 -4 10 328.57 17.10 -7 -4 10 299.37 17.00 -7 -4 10 325.27 16.30 6 4 -10 273.87 21.20 6 4 -10 301.47 17.60 6 4 -10 289.07 21.80 -6 -4 10 295.37 15.10 -6 -4 10 295.57 15.70 -6 -4 10 273.67 15.30 5 4 -10 33.30 5.00 5 4 -10 35.30 7.90 5 4 -10 40.00 8.40 -5 -4 10 43.90 4.10 -5 -4 10 48.90 4.20 -5 -4 10 48.50 4.40 4 4 -10 183.78 17.50 4 4 -10 202.98 16.40 4 4 -10 179.28 13.10 -4 -4 10 208.28 10.90 -4 -4 10 211.18 11.10 -4 -4 10 208.98 11.20 3 4 -10 66.49 9.10 3 4 -10 52.39 11.00 3 4 -10 73.39 5.60 3 4 -10 71.89 6.20 -3 -4 10 80.29 5.40 -3 -4 10 80.69 6.00 -3 -4 10 78.29 5.00 -3 -4 10 83.79 5.60 2 4 -10 43.00 7.00 2 4 -10 52.89 5.70 2 4 -10 34.50 7.80 2 4 -10 53.59 4.10 2 4 -10 34.90 8.70 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14.90 5 -4 10 161.58 12.00 5 -4 10 156.48 12.80 -6 4 -10 4.20 4.30 -6 4 -10 3.80 3.40 -6 4 -10 12.60 3.20 6 -4 10 11.80 5.70 6 -4 10 9.80 4.40 6 -4 10 10.90 4.00 8 3 -10 24.50 6.80 8 3 -10 30.00 6.50 8 3 -10 29.20 7.30 -8 -3 10 31.50 3.70 -8 -3 10 30.70 4.20 -8 -3 10 29.20 4.40 7 3 -10 65.79 10.30 -7 -3 10 68.49 9.10 -7 -3 10 64.89 7.70 -7 -3 10 59.69 4.90 6 3 -10 524.75 32.90 6 3 -10 551.54 32.90 6 3 -10 551.14 29.70 -6 -3 10 558.64 26.80 -6 -3 10 522.35 26.50 -6 -3 10 550.74 26.00 5 3 -10 10.50 3.40 5 3 -10 7.60 4.20 5 3 -10 15.70 5.30 -5 -3 10 15.90 2.70 -5 -3 10 11.70 2.40 4 3 -10 41.90 8.30 4 3 -10 37.60 7.40 4 3 -10 44.70 5.80 -4 -3 10 43.50 4.00 -4 -3 10 45.40 4.10 -4 -3 10 50.69 4.10 3 3 -10 163.08 14.00 3 3 -10 184.28 17.20 3 3 -10 191.28 14.80 -3 -3 10 198.38 10.20 -3 -3 10 206.58 10.60 -3 -3 10 199.18 10.40 2 3 -10 204.98 14.60 2 3 -10 181.48 11.60 -2 -3 10 196.68 10.60 -2 -3 10 197.58 12.00 -2 -3 10 209.38 10.10 -2 -3 10 202.08 10.60 1 3 -10 268.17 16.30 1 3 -10 250.67 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2.80 4 6 19 4.20 2.90 4 6 19 8.20 3.50 -5 -6 -19 -11.80 6.60 -5 -6 -19 4.00 8.30 -5 -6 -19 -0.40 2.80 -5 -6 -19 -2.20 3.30 5 6 19 0.30 2.40 5 6 19 -2.00 2.50 5 6 19 -1.80 2.80 -6 -6 -19 12.40 10.50 -6 -6 -19 31.00 5.10 -6 -6 -19 20.60 6.50 -6 -6 -19 26.10 12.90 6 6 19 14.00 5.10 6 6 19 16.20 5.40 6 6 19 27.10 4.60 -1 2 -20 -14.90 7.50 0 1 -20 297.17 28.30 0 1 -20 237.78 24.40 0 -1 20 238.68 14.60 0 -1 20 252.57 14.10 0 -1 20 232.98 12.40 -1 1 -20 21.70 9.40 -1 1 -20 12.90 10.00 -1 1 -20 20.50 4.20 -1 1 -20 5.40 9.50 1 -1 20 16.30 3.50 1 -1 20 11.00 2.00 1 -1 20 11.80 3.80 -2 1 -20 3.70 10.00 -2 1 -20 13.10 8.70 -2 1 -20 -4.80 6.70 2 -1 20 8.80 3.50 2 -1 20 9.40 3.20 -3 1 -20 8.80 7.60 -3 1 -20 6.20 6.70 3 -1 20 16.70 12.80 3 -1 20 5.70 3.30 3 -1 20 10.80 3.90 1 0 -20 -5.50 4.60 1 0 -20 1.90 3.20 1 0 -20 -5.00 6.50 1 0 -20 -0.10 6.60 -1 0 20 0.90 2.40 -1 0 20 -1.60 1.80 -1 0 20 -1.50 1.40 -1 0 20 -0.60 1.70 0 0 -20 81.89 15.90 0 0 -20 116.09 19.50 0 0 20 90.69 5.90 0 0 20 89.79 7.60 0 0 20 90.79 7.30 0 0 20 87.79 6.00 -1 0 -20 17.70 8.20 -1 0 -20 13.10 4.10 -1 0 -20 -2.10 9.10 -1 0 -20 4.30 7.20 1 0 20 11.50 3.10 1 0 20 5.00 2.90 -2 0 -20 39.80 12.10 -2 0 -20 14.20 9.70 -2 0 -20 29.00 12.30 2 0 20 27.70 3.40 2 0 20 37.00 5.60 2 0 20 27.80 4.50 -3 0 -20 14.80 7.40 -3 0 -20 13.20 10.00 3 0 20 7.90 3.50 3 0 20 12.30 3.70 -4 0 -20 -2.10 6.10 -4 0 -20 -5.70 5.40 -4 0 -20 -16.10 8.50 4 0 20 -2.90 2.60 4 0 20 -5.40 2.80 4 0 20 1.70 6.00 1 -1 -20 -4.20 4.20 1 -1 -20 2.10 3.50 1 -1 -20 6.50 6.20 -1 1 20 3.40 2.20 -1 1 20 1.50 1.90 -1 1 20 0.80 1.70 -1 1 20 2.70 2.30 0 -1 -20 83.49 12.80 0 -1 -20 77.09 15.30 0 -1 -20 68.29 13.90 0 1 20 50.79 4.50 0 1 20 49.50 5.60 0 1 20 61.19 6.10 0 1 20 42.00 4.20 -1 -1 -20 65.29 13.40 -1 -1 -20 83.29 17.70 -1 -1 -20 61.89 15.30 1 1 20 47.50 5.80 1 1 20 45.50 4.30 1 1 20 56.79 6.40 -2 -1 -20 23.70 11.30 -2 -1 -20 19.80 10.90 -2 -1 -20 22.20 8.70 2 1 20 25.10 5.70 2 1 20 19.50 4.10 2 1 20 22.20 3.10 -3 -1 -20 -6.50 6.20 -3 -1 -20 5.00 8.60 -3 -1 -20 5.00 8.10 3 1 20 11.00 3.80 3 1 20 9.10 3.50 3 1 20 5.00 2.00 -4 -1 -20 14.60 8.30 -4 -1 -20 -4.70 6.50 4 1 20 1.20 3.10 4 1 20 1.00 2.90 -5 -1 -20 20.50 8.40 -5 -1 -20 19.10 11.40 -5 -1 -20 -0.20 6.60 5 1 20 16.30 4.50 5 1 20 8.90 4.10 0 -2 -20 45.90 10.20 0 -2 -20 47.30 12.10 0 -2 -20 30.70 9.70 0 2 20 25.70 3.20 0 2 20 20.90 3.10 0 2 20 28.80 4.50 0 2 20 23.90 4.10 -1 -2 -20 84.49 16.50 -1 -2 -20 81.49 14.30 -1 -2 -20 100.29 12.70 1 2 20 72.49 5.60 1 2 20 72.29 6.80 1 2 20 65.59 7.00 -2 -2 -20 49.90 13.70 -2 -2 -20 50.49 10.90 -2 -2 -20 37.20 12.90 2 2 20 39.70 4.30 2 2 20 36.30 5.70 2 2 20 35.70 5.60 -3 -2 -20 18.40 9.50 -3 -2 -20 10.80 7.00 -3 -2 -20 17.00 9.90 3 2 20 8.40 3.50 -4 -2 -20 3.90 8.10 -4 -2 -20 7.70 6.60 4 2 20 24.80 5.20 4 2 20 22.50 4.90 4 2 20 22.80 3.20 -5 -2 -20 6.70 10.80 -5 -2 -20 -5.30 7.70 5 2 20 -1.20 1.80 5 2 20 1.40 3.40 5 2 20 4.40 3.50 0 -3 -20 57.29 12.60 0 -3 -20 38.60 10.30 0 3 20 35.50 4.80 0 3 20 25.20 3.60 0 3 20 24.20 4.30 0 3 20 18.70 2.80 -1 -3 -20 0.10 4.30 -1 -3 -20 -5.10 5.70 -1 -3 -20 -4.50 5.60 1 3 20 1.20 2.60 1 3 20 3.50 2.50 1 3 20 -1.90 1.70 -2 -3 -20 1.00 6.20 -2 -3 -20 1.40 4.50 -2 -3 -20 13.90 9.50 2 3 20 5.70 3.10 2 3 20 5.80 2.70 -3 -3 -20 17.80 9.60 -3 -3 -20 54.39 10.00 -3 -3 -20 34.10 11.90 3 3 20 35.50 5.90 3 3 20 36.70 6.10 3 3 20 39.00 4.60 -4 -3 -20 55.89 13.80 -4 -3 -20 71.29 12.20 4 3 20 62.99 5.60 4 3 20 44.10 7.10 4 3 20 59.89 7.40 -5 -3 -20 5.30 8.40 -5 -3 -20 1.70 8.40 -5 -3 -20 -8.60 5.50 5 3 20 -2.10 3.00 5 3 20 -3.10 2.70 -1 -4 -20 3.70 5.70 -1 -4 -20 4.30 4.40 -1 -4 -20 -4.80 5.70 1 4 20 -1.50 2.30 1 4 20 1.70 2.50 1 4 20 -0.30 1.90 -2 -4 -20 -3.80 6.10 -2 -4 -20 -3.00 3.90 -2 -4 -20 -1.80 6.00 2 4 20 -2.70 1.80 2 4 20 -2.30 2.00 2 4 20 0.90 2.70 -3 -4 -20 -4.10 6.30 -3 -4 -20 2.20 7.80 -3 -4 -20 5.10 4.60 3 4 20 1.70 2.80 3 4 20 0.70 2.50 3 4 20 0.40 2.10 -4 -4 -20 17.80 6.00 -4 -4 -20 19.80 8.90 -4 -4 -20 22.10 10.80 4 4 20 19.40 5.00 4 4 20 14.50 3.30 4 4 20 16.80 4.90 -5 -4 -20 -3.00 6.90 -5 -4 -20 -12.60 8.20 -5 -4 -20 0.20 5.70 5 4 20 -4.00 2.80 5 4 20 -1.10 2.30 5 4 20 2.30 3.10 -2 -5 -20 11.90 5.50 -2 -5 -20 18.20 8.70 -2 -5 -20 17.50 8.30 2 5 20 11.60 4.50 2 5 20 11.10 4.10 2 5 20 15.40 3.40 -3 -5 -20 48.00 12.40 -3 -5 -20 43.30 7.60 -3 -5 -20 40.60 13.80 3 5 20 31.60 6.20 3 5 20 32.60 4.80 3 5 20 39.30 6.00 -4 -5 -20 46.90 13.20 -4 -5 -20 50.59 13.80 -4 -5 -20 94.29 10.20 4 5 20 71.29 6.70 4 5 20 71.69 12.10 4 5 20 89.39 12.00 -5 -5 -20 -8.00 8.70 -5 -5 -20 7.20 10.00 -5 -5 -20 8.70 4.70 5 5 20 9.70 4.10 5 5 20 12.20 4.40 5 5 20 5.00 2.60 -1 -1 -21 -0.40 7.00 -2 -1 -21 -3.30 6.80 -2 -1 -21 -6.50 7.50 -2 -1 -21 -9.80 8.00 2 1 21 -0.10 2.30 2 1 21 -1.50 1.70 2 1 21 -1.50 2.70 -3 -1 -21 34.60 12.50 -3 -1 -21 38.80 18.70 -3 -1 -21 32.60 9.80 3 1 21 32.20 5.50 3 1 21 31.00 3.70 -2 -2 -21 -0.30 9.20 -2 -2 -21 13.90 9.00 -2 -2 -21 6.40 7.60 2 2 21 4.70 3.30 2 2 21 7.90 3.20 2 2 21 1.20 1.80 -3 -2 -21 37.50 14.10 -3 -2 -21 59.19 11.50 -3 -2 -21 55.39 16.00 3 2 21 48.30 6.50 3 2 21 44.60 4.70 3 2 21 34.90 5.90 -2 -3 -21 4.40 7.90 -2 -3 -21 -5.00 6.50 2 3 21 4.40 2.30 2 3 21 2.30 2.80 -3 -3 -21 26.80 8.00 -3 -3 -21 6.10 10.00 3 3 21 22.60 4.80 3 3 21 21.80 3.40 3 3 21 16.90 4.60 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ) _shelx_hkl_checksum 3032 ; _shelx_hkl_checksum 98211 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group N7 N 0.7746(8) 0.7524(6) 0.1049(5) 0.0638(15) Uani 0.599(7) 1 d . . P A 1 N8 N 0.7347(8) 0.8544(8) 0.0601(4) 0.119(3) Uani 0.599(7) 1 d . . P A 1 S1 S 0.3684(2) 0.8725(2) 0.17859(12) 0.0415(5) Uani 0.599(7) 1 d . . P A 1 N7A N 0.8279(11) 0.7491(11) 0.1398(6) 0.063(2) Uani 0.401(7) 1 d . . P A 2 N8A N 0.8596(14) 0.8441(11) 0.1431(6) 0.113(4) Uani 0.401(7) 1 d . . P A 2 S1A S 0.3394(9) 0.8691(7) 0.1661(3) 0.1175(16) Uani 0.401(7) 1 d . . P A 2 C17 C 0.2002(6) 0.9957(4) 0.1284(2) 0.1175(16) Uani 1 1 d . . . . . H17A H 0.242276 1.035889 0.080034 0.176 Uiso 1 1 calc R U . A 1 H17B H 0.143965 0.939852 0.118999 0.176 Uiso 1 1 calc R U . A 1 H17C H 0.125766 1.076393 0.159796 0.176 Uiso 1 1 calc R U . A 1 C18 C 0.4194(6) 1.0078(5) 0.2012(3) 0.1082(16) Uani 1 1 d . . . . . H18A H 0.474150 1.043584 0.155345 0.162 Uiso 1 1 calc R U . A 1 H18B H 0.321932 1.089842 0.221930 0.162 Uiso 1 1 calc R U . A 1 H18C H 0.490514 0.965186 0.238955 0.162 Uiso 1 1 calc R U . A 1 Zn1 Zn 0.36755(3) 0.59386(3) 0.30037(2) 0.03219(9) Uani 1 1 d . . . . . Zn2 Zn 0.73371(3) 0.50216(3) 0.20049(2) 0.04479(10) Uani 1 1 d . . . . . S2 S 0.47241(8) 0.23580(7) 0.33563(4) 0.04487(16) Uani 1 1 d . . . . . O4 O 0.52215(19) 0.49756(19) 0.19815(10) 0.0422(4) Uani 1 1 d . . . . . O3 O 0.4500(2) 0.38123(18) 0.36291(10) 0.0472(4) Uani 1 1 d . . . . . O2 O 0.2851(2) 0.82100(19) 0.25039(11) 0.0535(5) Uani 1 1 d . . . . . O1 O 0.2304(3) 0.8397(2) 0.50103(11) 0.0549(5) Uani 1 1 d . . . . . N2 N 0.1887(2) 0.5695(2) 0.25823(12) 0.0381(4) Uani 1 1 d . . . . . N6 N 0.8078(5) 0.6487(5) 0.1373(3) 0.0980(11) Uani 1 1 d . . . . . N11 N 1.0514(4) 0.2717(4) 0.33660(19) 0.0833(9) Uani 1 1 d . . . . . N1 N 0.1651(2) 0.6730(2) 0.40356(11) 0.0362(4) Uani 1 1 d . . . . . N3 N 0.5930(2) 0.6032(2) 0.30646(13) 0.0467(5) Uani 1 1 d . . . . . O5 O 0.7680(2) 0.3768(3) 0.09149(12) 0.0665(6) Uani 1 1 d . . . . . C10 C 0.4604(4) 0.2986(4) 0.02878(17) 0.0638(8) Uani 1 1 d . . . . . H10 H 0.448139 0.253225 -0.009799 0.077 Uiso 1 1 calc R U . . . C14 C 0.9089(4) 0.3133(5) 0.03560(19) 0.0804(11) Uani 1 1 d . . . . . H14A H 0.996944 0.329485 0.046987 0.121 Uiso 1 1 calc R U . . . H14B H 0.939072 0.207494 0.036556 0.121 Uiso 1 1 calc R U . . . H14C H 0.886598 0.359607 -0.014784 0.121 Uiso 1 1 calc R U . . . C16 C 0.4092(5) 0.1414(4) 0.4213(2) 0.0737(9) Uani 1 1 d . . . . . H16A H 0.419259 0.046266 0.409544 0.111 Uiso 1 1 calc R U . . . H16B H 0.476813 0.125680 0.458677 0.111 Uiso 1 1 calc R U . . . H16C H 0.297350 0.201059 0.441973 0.111 Uiso 1 1 calc R U . . . C11 C 0.6099(4) 0.2990(4) 0.02935(17) 0.0614(8) Uani 1 1 d . . . . . H11 H 0.698670 0.253440 -0.008792 0.074 Uiso 1 1 calc R U . . . C15 C 0.6852(4) 0.1225(3) 0.3237(3) 0.0779(10) Uani 1 1 d . . . . . H15A H 0.707161 0.027798 0.306323 0.117 Uiso 1 1 calc R U . . . H15B H 0.742013 0.172106 0.286153 0.117 Uiso 1 1 calc R U . . . H15C H 0.721661 0.106275 0.372294 0.117 Uiso 1 1 calc R U . . . C4 C 0.2104(3) 0.6124(3) 0.48128(14) 0.0451(6) Uani 1 1 d . . . . . H4A H 0.270912 0.504345 0.481743 0.054 Uiso 1 1 calc R U . . . H4B H 0.111884 0.633690 0.519801 0.054 Uiso 1 1 calc R U . . . C3 C 0.0796(3) 0.8388(3) 0.40586(15) 0.0429(6) Uani 1 1 d . . . . . H3A H -0.020838 0.864141 0.443339 0.051 Uiso 1 1 calc R U . . . H3B H 0.051209 0.883654 0.355520 0.051 Uiso 1 1 calc R U . . . C2 C 0.1854(3) 0.9007(3) 0.42733(16) 0.0476(6) Uani 1 1 d . . . . . H2A H 0.283476 0.878835 0.388470 0.057 Uiso 1 1 calc R U . . . H2B H 0.127464 1.008867 0.427830 0.057 Uiso 1 1 calc R U . . . C12 C 0.6275(3) 0.3661(3) 0.08587(15) 0.0472(6) Uani 1 1 d . . . . . N5 N 0.6351(3) 0.7676(3) 0.36997(19) 0.0781(9) Uani 1 1 d . . . . . C1 C 0.3123(3) 0.6802(3) 0.50161(16) 0.0505(6) Uani 1 1 d . . . . . H1A H 0.338915 0.639167 0.552629 0.061 Uiso 1 1 calc R U . . . H1B H 0.413837 0.653176 0.464898 0.061 Uiso 1 1 calc R U . . . C5 C 0.0529(3) 0.6107(3) 0.39070(15) 0.0476(6) Uani 1 1 d . . . . . H5A H -0.052149 0.656950 0.423676 0.057 Uiso 1 1 calc R U . . . H5B H 0.097114 0.503733 0.405113 0.057 Uiso 1 1 calc R U . . . C8 C 0.3451(3) 0.4348(3) 0.14404(14) 0.0373(5) Uani 1 1 d . . . . . C9 C 0.3312(4) 0.3648(3) 0.08475(16) 0.0521(7) Uani 1 1 d . . . . . H9 H 0.231072 0.363858 0.083916 0.062 Uiso 1 1 calc R U . . . C6 C 0.0290(3) 0.6376(3) 0.30722(16) 0.0502(6) Uani 1 1 d . . . . . H6A H -0.042141 0.593240 0.300275 0.060 Uiso 1 1 calc R U . . . H6B H -0.021479 0.744469 0.293071 0.060 Uiso 1 1 calc R U . . . C13 C 0.4970(3) 0.4348(3) 0.14501(13) 0.0366(5) Uani 1 1 d . . . . . C7 C 0.1998(3) 0.5049(3) 0.19954(14) 0.0404(5) Uani 1 1 d . . . . . H7 H 0.104384 0.502783 0.191715 0.048 Uiso 1 1 calc R U . . . N9 N 0.9210(3) 0.3231(3) 0.23061(16) 0.0627(7) Uani 1 1 d . . . . . N10 N 0.9831(3) 0.2994(2) 0.28561(15) 0.0494(5) Uani 1 1 d . . . . . N4 N 0.6146(2) 0.6877(2) 0.33795(13) 0.0438(5) Uani 1 1 d . . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 N7 0.049(3) 0.063(4) 0.066(4) -0.005(3) 0.014(3) -0.022(2) N8 0.098(5) 0.105(5) 0.116(6) 0.027(4) 0.014(4) -0.035(4) S1 0.0481(8) 0.0287(6) 0.0291(8) -0.0022(5) 0.0080(6) -0.0056(5) N7A 0.053(4) 0.085(7) 0.054(5) 0.003(4) -0.013(4) -0.031(4) N8A 0.155(10) 0.089(6) 0.127(9) -0.007(6) -0.015(7) -0.085(7) S1A 0.160(3) 0.0678(17) 0.0569(15) -0.0030(12) -0.0155(18) 0.0134(18) C17 0.160(3) 0.0678(17) 0.0569(15) -0.0030(12) -0.0155(18) 0.0134(18) C18 0.105(3) 0.071(2) 0.145(4) 0.001(3) 0.007(3) -0.049(2) Zn1 0.02555(14) 0.03164(14) 0.03997(16) -0.00765(10) -0.00429(10) -0.01126(10) Zn2 0.02732(15) 0.05264(18) 0.05485(19) -0.01162(14) -0.00285(12) -0.01627(13) S2 0.0500(4) 0.0342(3) 0.0529(4) -0.0064(3) -0.0156(3) -0.0154(3) O4 0.0286(8) 0.0566(10) 0.0451(10) -0.0219(8) -0.0011(7) -0.0173(7) O3 0.0573(11) 0.0303(8) 0.0541(11) -0.0036(7) -0.0191(9) -0.0134(8) O2 0.0580(11) 0.0377(9) 0.0514(11) -0.0024(8) 0.0045(9) -0.0144(8) O1 0.0703(13) 0.0474(10) 0.0495(11) -0.0142(8) -0.0131(9) -0.0217(9) N2 0.0268(9) 0.0430(11) 0.0462(11) -0.0088(9) -0.0058(8) -0.0142(8) N6 0.080(2) 0.098(3) 0.117(3) 0.020(3) -0.001(2) -0.054(2) N11 0.088(2) 0.084(2) 0.071(2) 0.0054(16) -0.0298(17) -0.0261(17) N1 0.0316(9) 0.0352(10) 0.0402(11) -0.0071(8) -0.0017(8) -0.0128(8) N3 0.0362(11) 0.0519(12) 0.0594(14) -0.0236(11) -0.0018(10) -0.0213(10) O5 0.0363(10) 0.1057(17) 0.0524(12) -0.0333(11) 0.0048(8) -0.0210(11) C10 0.084(2) 0.072(2) 0.0465(16) -0.0219(14) -0.0101(15) -0.0366(18) C14 0.0387(16) 0.118(3) 0.0560(19) -0.0212(19) 0.0059(14) -0.0074(17) C16 0.095(3) 0.0511(17) 0.075(2) 0.0045(15) -0.0073(19) -0.0371(18) C11 0.0617(18) 0.0692(19) 0.0460(16) -0.0245(14) 0.0006(13) -0.0180(15) C15 0.0533(18) 0.0480(17) 0.124(3) -0.0261(18) -0.0065(19) -0.0104(14) C4 0.0506(15) 0.0414(13) 0.0378(13) -0.0039(10) -0.0013(11) -0.0165(11) C3 0.0340(12) 0.0377(12) 0.0452(14) -0.0117(10) 0.0009(10) -0.0047(10) C2 0.0508(15) 0.0350(12) 0.0512(15) -0.0112(11) -0.0025(12) -0.0126(11) C12 0.0397(13) 0.0542(15) 0.0416(14) -0.0103(11) -0.0056(11) -0.0121(12) N5 0.0479(14) 0.0845(19) 0.116(2) -0.0584(18) 0.0028(14) -0.0305(14) C1 0.0556(16) 0.0500(15) 0.0442(15) -0.0056(12) -0.0139(12) -0.0168(13) C5 0.0343(12) 0.0602(16) 0.0530(15) -0.0143(12) 0.0043(11) -0.0260(12) C8 0.0414(13) 0.0377(12) 0.0375(12) -0.0038(10) -0.0110(10) -0.0183(10) C9 0.0624(17) 0.0597(16) 0.0478(15) -0.0074(13) -0.0171(13) -0.0330(14) C6 0.0269(12) 0.0615(16) 0.0641(17) -0.0200(13) -0.0042(11) -0.0165(11) C13 0.0377(12) 0.0366(12) 0.0353(12) -0.0049(9) -0.0092(10) -0.0129(10) C7 0.0355(12) 0.0442(13) 0.0485(14) -0.0022(11) -0.0129(10) -0.0207(10) N9 0.0428(13) 0.0639(15) 0.0731(17) -0.0231(13) -0.0166(12) -0.0050(11) N10 0.0398(12) 0.0447(12) 0.0571(15) -0.0074(11) 0.0000(11) -0.0143(10) N4 0.0281(10) 0.0457(12) 0.0591(13) -0.0173(10) -0.0024(9) -0.0146(9) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Zn Zn 0.2839 1.4301 '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' 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 N6 N7 N8 168.4(12) . . ? O2 S1 C18 107.6(2) . . ? O2 S1 C17 102.8(2) . . ? C18 S1 C17 98.2(3) . . ? N6 N7A N8A 175.0(13) . . ? O2 S1A C17 113.9(5) . . ? O2 S1A C18 91.4(4) . . ? C17 S1A C18 95.7(4) . . ? N2 Zn1 O4 84.80(7) . . ? N2 Zn1 O3 96.20(7) . . ? O4 Zn1 O3 90.52(7) . . ? N2 Zn1 O2 89.22(8) . . ? O4 Zn1 O2 95.32(7) . . ? O3 Zn1 O2 172.38(7) . . ? N2 Zn1 N3 161.39(8) . . ? O4 Zn1 N3 77.04(7) . . ? O3 Zn1 N3 88.08(8) . . ? O2 Zn1 N3 88.46(8) . . ? N2 Zn1 N1 82.50(7) . . ? O4 Zn1 N1 166.58(7) . . ? O3 Zn1 N1 86.57(7) . . ? O2 Zn1 N1 88.84(7) . . ? N3 Zn1 N1 115.90(8) . . ? N6 Zn2 N9 110.42(15) . . ? N6 Zn2 O4 123.00(14) . . ? N9 Zn2 O4 122.36(10) . . ? N6 Zn2 N3 106.42(15) . . ? N9 Zn2 N3 105.76(10) . . ? O4 Zn2 N3 79.81(7) . . ? N6 Zn2 O5 92.32(16) . . ? N9 Zn2 O5 86.46(9) . . ? O4 Zn2 O5 72.21(6) . . ? N3 Zn2 O5 151.74(7) . . ? O3 S2 C15 105.60(14) . . ? O3 S2 C16 103.37(14) . . ? C15 S2 C16 98.72(19) . . ? C13 O4 Zn2 124.26(14) . . ? C13 O4 Zn1 130.57(14) . . ? Zn2 O4 Zn1 104.97(7) . . ? S2 O3 Zn1 125.74(11) . . ? S1 O2 Zn1 124.75(13) . . ? S1A O2 Zn1 125.0(2) . . ? C2 O1 C1 109.68(19) . . ? C7 N2 C6 118.8(2) . . ? C7 N2 Zn1 130.12(16) . . ? C6 N2 Zn1 111.09(15) . . ? N7 N6 Zn2 146.6(6) . . ? N7A N6 Zn2 143.3(7) . . ? C5 N1 C3 110.37(19) . . ? C5 N1 C4 107.83(19) . . ? C3 N1 C4 106.55(18) . . ? C5 N1 Zn1 100.77(14) . . ? C3 N1 Zn1 114.51(14) . . ? C4 N1 Zn1 116.51(14) . . ? N4 N3 Zn1 129.04(17) . . ? N4 N3 Zn2 126.71(17) . . ? Zn1 N3 Zn2 98.18(8) . . ? C12 O5 C14 118.9(2) . . ? C12 O5 Zn2 111.90(15) . . ? C14 O5 Zn2 129.2(2) . . ? C9 C10 C11 119.8(3) . . ? C12 C11 C10 120.0(3) . . ? N1 C4 C1 111.2(2) . . ? N1 C3 C2 110.8(2) . . ? O1 C2 C3 112.2(2) . . ? C11 C12 O5 125.4(2) . . ? C11 C12 C13 121.8(3) . . ? O5 C12 C13 112.8(2) . . ? O1 C1 C4 112.1(2) . . ? N1 C5 C6 111.9(2) . . ? C13 C8 C9 118.7(2) . . ? C13 C8 C7 123.9(2) . . ? C9 C8 C7 117.3(2) . . ? C10 C9 C8 121.7(3) . . ? N2 C6 C5 108.5(2) . . ? O4 C13 C12 118.9(2) . . ? O4 C13 C8 123.2(2) . . ? C12 C13 C8 118.0(2) . . ? N2 C7 C8 126.7(2) . . ? N10 N9 Zn2 128.7(2) . . ? N11 N10 N9 176.2(3) . . ? N5 N4 N3 178.5(3) . . ? 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 N7 N6 1.046(7) . ? N7 N8 1.157(9) . ? S1 O2 1.473(3) . ? S1 C18 1.729(5) . ? S1 C17 1.820(5) . ? N7A N6 1.098(11) . ? N7A N8A 1.114(12) . ? S1A O2 1.537(6) . ? S1A C17 1.544(8) . ? S1A C18 2.047(10) . ? Zn1 N2 2.0711(19) . ? Zn1 O4 2.1159(16) . ? Zn1 O3 2.1173(17) . ? Zn1 O2 2.1460(18) . ? Zn1 N3 2.146(2) . ? Zn1 N1 2.2662(19) . ? Zn2 N6 1.955(4) . ? Zn2 N9 1.966(2) . ? Zn2 O4 1.9790(16) . ? Zn2 N3 2.153(2) . ? Zn2 O5 2.361(2) . ? S2 O3 1.5112(17) . ? S2 C15 1.771(3) . ? S2 C16 1.773(3) . ? O4 C13 1.322(3) . ? O1 C2 1.422(3) . ? O1 C1 1.427(3) . ? N2 C7 1.274(3) . ? N2 C6 1.463(3) . ? N11 N10 1.148(4) . ? N1 C5 1.485(3) . ? N1 C3 1.487(3) . ? N1 C4 1.488(3) . ? N3 N4 1.184(3) . ? O5 C12 1.370(3) . ? O5 C14 1.411(3) . ? C10 C9 1.358(4) . ? C10 C11 1.382(4) . ? C11 C12 1.365(4) . ? C4 C1 1.497(4) . ? C3 C2 1.495(4) . ? C12 C13 1.406(3) . ? N5 N4 1.145(3) . ? C5 C6 1.513(4) . ? C8 C13 1.404(3) . ? C8 C9 1.409(3) . ? C8 C7 1.441(3) . ? N9 N10 1.182(3) . ?