#------------------------------------------------------------------------------ #$Date: 2019-07-06 06:57:19 +0300 (Sat, 06 Jul 2019) $ #$Revision: 216791 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/02/17/2021708.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2021708 loop_ _publ_author_name 'Shao, Zhi-Chao' 'Meng, Xiang-Ru' 'Hou, Hong-Wei' _publ_section_title ; Two new Cd^II^ and Zn^II^ coordination polymers incorporating 1-aminobenzene-3,4,5-tricarboxylic acid: synthesis, crystal structure and characterization ; _journal_coeditor_code CU3148 _journal_issue 8 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first ; ; _journal_paper_doi 10.1107/S2053229619009227 _journal_volume 75 _journal_year 2019 _chemical_formula_iupac '[Zn3 (C9 H4 N O6)2 (H2 O)3], 2H2 O' _chemical_formula_moiety 'C18 H14 N2 O15 Zn3, 2(H2 O)' _chemical_formula_sum 'C18 H18 N2 O17 Zn3' _chemical_formula_weight 730.45 _chemical_name_systematic ; Poly[[bis(\m~5~-1-aminobenzene-3,4,5-tricarboxylato)triaquatrizinc(II)] dihydrate] ; _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-2018/3 _cell_angle_alpha 102.6200(10) _cell_angle_beta 95.8600(10) _cell_angle_gamma 99.1500(10) _cell_formula_units_Z 2 _cell_length_a 7.2480(3) _cell_length_b 9.3135(3) _cell_length_c 17.2244(6) _cell_measurement_reflns_used 9818 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 27.56 _cell_measurement_theta_min 2.28 _cell_volume 1108.83(7) _computing_cell_refinement ; SAINT (Bruker, 2016) ; _computing_data_collection ; APEX3 (Bruker, 2016) ; _computing_data_reduction ; SAINT (Bruker, 2016) ; _computing_molecular_graphics ; DIAMOND (Brandenburg & Putz, 2005) ; _computing_publication_material ; publCIF (Westrip, 2010) ; _computing_structure_refinement ; SHELXL2018 (Sheldrick, 2015b) ; _computing_structure_solution ; SHELXT2014 (Sheldrick, 2015a) ; _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.999 _diffrn_measurement_device_type 'Bruker D8 VENTURE PHOTON' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0294 _diffrn_reflns_av_unetI/netI 0.0186 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_number 37612 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 27.572 _diffrn_reflns_theta_min 2.281 _diffrn_source 'fine-focus sealed tube' _exptl_absorpt_coefficient_mu 3.317 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; (SADABS; Bruker, 2016) ; _exptl_crystal_colour colorless _exptl_crystal_density_diffrn 2.188 _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 732 _exptl_crystal_size_max 0.120 _exptl_crystal_size_mid 0.120 _exptl_crystal_size_min 0.110 _refine_diff_density_max 0.484 _refine_diff_density_min -0.942 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.021 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 361 _refine_ls_number_reflns 5127 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.021 _refine_ls_R_factor_all 0.0351 _refine_ls_R_factor_gt 0.0281 _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^)+(0.0360P)^2^+1.9472P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0721 _refine_ls_wR_factor_ref 0.0752 _reflns_number_gt 4499 _reflns_number_total 5127 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file cu3148sup1.cif _cod_data_source_block II _cod_database_code 2021708 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_min 0.692 _shelx_estimated_absorpt_t_max 0.712 _shelx_hkl_file ; -2 0 0 1839.42 35.90 -2 0 0 1874.31 36.20 -2 0 0 1812.92 34.90 -2 0 0 1852.31 36.40 -2 0 0 1827.02 36.40 2 0 0 1821.62 36.10 2 0 0 1935.41 36.40 2 0 0 1868.91 36.80 2 0 0 1799.32 36.40 2 0 0 1858.61 36.40 -3 0 0 318.07 8.10 -3 0 0 307.57 8.70 -3 0 0 307.87 6.70 -3 0 0 312.37 8.30 3 0 0 310.37 8.30 3 0 0 307.77 9.00 3 0 0 311.87 8.70 3 0 0 327.57 8.70 3 0 0 303.07 8.70 -4 0 0 3254.77 64.59 -4 0 0 3256.87 62.19 -4 0 0 3340.27 65.39 4 0 0 3258.67 65.29 4 0 0 3368.46 65.29 4 0 0 3255.47 65.59 4 0 0 3236.98 64.79 4 0 0 3322.17 66.19 -5 0 0 2.10 1.40 -5 0 0 -0.40 1.80 -5 0 0 2.10 2.40 -5 0 0 0.00 3.10 -5 0 0 2.40 1.20 -5 0 0 3.20 1.20 5 0 0 -3.40 2.70 5 0 0 -1.40 2.90 5 0 0 0.90 2.70 5 0 0 0.20 2.40 5 0 0 3.90 3.10 -6 0 0 56.69 6.20 -6 0 0 68.29 6.40 -6 0 0 59.39 6.80 -6 0 0 66.59 3.50 -6 0 0 68.19 3.70 6 0 0 71.59 7.90 6 0 0 45.60 5.80 6 0 0 65.59 6.60 6 0 0 81.09 7.50 6 0 0 54.59 6.30 -7 0 0 58.19 6.30 -7 0 0 73.49 7.50 7 0 0 75.69 8.60 7 0 0 79.99 8.70 7 0 0 64.09 7.30 -8 0 0 383.66 14.80 8 0 0 365.46 16.60 8 0 0 366.46 18.30 8 0 0 368.46 19.80 -9 0 0 6.50 7.90 -9 0 0 -15.40 7.00 9 0 0 -0.30 8.20 9 0 0 8.20 12.00 9 0 0 2.60 8.60 9 -1 0 0.50 9.30 9 -1 0 17.90 8.70 9 -1 0 3.80 11.40 -9 1 0 4.20 7.40 8 -1 0 118.39 16.80 8 -1 0 87.29 9.50 8 -1 0 88.49 10.50 -8 1 0 101.99 11.00 -8 1 0 88.29 5.60 7 -1 0 23.90 6.60 7 -1 0 3.90 4.40 7 -1 0 14.70 5.90 -7 1 0 17.60 5.50 -7 1 0 5.90 2.80 -7 1 0 10.70 4.40 6 -1 0 175.38 10.00 6 -1 0 173.78 9.80 6 -1 0 180.78 9.90 6 -1 0 157.08 9.30 6 -1 0 165.28 8.50 -6 1 0 176.68 8.50 -6 1 0 161.98 9.40 -6 1 0 163.78 8.60 -6 1 0 169.08 6.50 5 -1 0 2.80 2.40 5 -1 0 2.20 2.60 5 -1 0 4.90 3.10 5 -1 0 2.00 2.80 5 -1 0 2.10 3.20 -5 1 0 6.00 1.90 -5 1 0 -0.30 2.30 -5 1 0 9.50 3.40 -5 1 0 5.20 1.20 -5 1 0 8.80 2.70 4 -1 0 315.27 9.60 4 -1 0 297.07 9.40 4 -1 0 282.57 9.50 4 -1 0 287.87 9.50 -4 1 0 293.67 8.70 -4 1 0 278.57 7.80 -4 1 0 286.97 9.30 -4 1 0 290.77 9.00 3 -1 0 36.00 3.20 3 -1 0 33.00 3.00 3 -1 0 35.60 3.00 3 -1 0 33.20 2.50 3 -1 0 33.60 3.00 -3 1 0 38.40 2.80 -3 1 0 36.80 2.80 -3 1 0 35.60 3.00 -3 1 0 33.80 2.70 -3 1 0 32.90 2.90 2 -1 0 222.88 6.10 2 -1 0 221.28 6.00 2 -1 0 222.28 6.10 2 -1 0 219.38 6.20 2 -1 0 226.88 6.10 -2 1 0 222.48 5.90 -2 1 0 221.18 6.10 -2 1 0 226.88 6.20 -2 1 0 229.58 6.10 -2 1 0 219.68 6.10 1 -1 0 454.85 9.70 1 -1 0 469.75 9.60 1 -1 0 451.15 9.80 -1 1 0 467.75 9.80 -1 1 0 459.85 9.70 -1 1 0 473.75 9.60 -1 1 0 470.45 9.90 -1 1 0 467.45 9.80 0 -1 0 2002.60 37.90 0 -1 0 1932.91 37.80 0 -1 0 1962.50 38.00 0 1 0 2021.30 37.80 -1 -1 0 1099.49 21.70 -1 -1 0 1140.59 22.20 -1 -1 0 1113.09 21.30 -1 -1 0 1106.69 22.00 1 1 0 1104.49 21.40 1 1 0 1120.29 22.20 1 1 0 1125.29 22.00 1 1 0 1122.79 21.50 1 1 0 1112.09 21.70 1 1 0 1092.39 21.20 -2 -1 0 3574.34 67.79 -2 -1 0 3313.67 66.99 -2 -1 0 3431.16 67.99 -2 -1 0 3709.93 69.09 -2 -1 0 3828.72 67.99 2 1 0 3502.65 69.09 2 1 0 3525.35 68.59 2 1 0 3695.43 67.79 2 1 0 3620.74 68.19 2 1 0 3568.34 68.29 2 1 0 3693.53 68.59 -3 -1 0 160.28 6.20 -3 -1 0 159.28 5.20 -3 -1 0 160.08 4.60 -3 -1 0 163.68 5.00 -3 -1 0 177.68 3.80 3 1 0 161.68 5.80 3 1 0 159.38 5.40 3 1 0 152.08 6.00 3 1 0 155.18 6.50 3 1 0 171.88 5.70 -4 -1 0 1023.80 23.20 -4 -1 0 1003.90 21.40 -4 -1 0 982.20 20.40 -4 -1 0 1002.80 21.80 4 1 0 978.80 23.90 4 1 0 1009.10 22.80 4 1 0 977.20 22.20 4 1 0 1002.90 23.30 4 1 0 1024.00 22.60 -5 -1 0 27.00 3.00 -5 -1 0 26.80 4.60 -5 -1 0 22.60 3.00 -5 -1 0 29.90 3.50 5 1 0 23.10 3.90 5 1 0 25.10 4.00 5 1 0 27.50 4.20 5 1 0 25.60 3.60 5 1 0 28.90 4.50 -6 -1 0 106.89 9.60 -6 -1 0 110.89 6.80 -6 -1 0 121.09 6.90 6 1 0 118.69 7.70 6 1 0 114.79 8.40 6 1 0 98.39 8.10 6 1 0 112.09 8.60 6 1 0 125.89 9.30 6 1 0 100.59 8.70 -7 -1 0 -0.70 4.30 -7 -1 0 6.40 4.00 7 1 0 15.30 5.70 7 1 0 5.40 4.20 7 1 0 16.00 6.50 7 1 0 7.50 5.80 -8 -1 0 106.39 9.60 -8 -1 0 87.09 10.80 -8 -1 0 74.09 7.70 8 1 0 88.69 12.00 8 1 0 101.79 8.40 8 1 0 76.49 9.10 8 1 0 85.29 10.30 -9 -1 0 20.90 9.00 -9 -1 0 2.10 6.60 9 1 0 4.00 9.00 9 1 0 4.70 9.60 9 1 0 10.80 11.30 9 -2 0 48.90 9.70 9 -2 0 62.19 12.30 9 -2 0 62.29 10.50 -9 2 0 57.59 10.10 8 -2 0 0.30 6.30 8 -2 0 9.50 7.00 8 -2 0 -2.30 6.80 -8 2 0 2.40 4.00 -8 2 0 2.90 8.90 7 -2 0 17.90 5.70 7 -2 0 30.40 6.10 7 -2 0 15.60 5.10 -7 2 0 17.50 4.90 -7 2 0 16.50 3.00 6 -2 0 219.08 10.50 6 -2 0 216.18 10.90 6 -2 0 215.78 9.80 6 -2 0 202.88 10.70 6 -2 0 211.98 10.50 -6 2 0 221.28 10.50 -6 2 0 211.98 9.60 -6 2 0 220.78 9.60 -6 2 0 206.08 7.70 5 -2 0 109.19 6.30 5 -2 0 120.49 6.90 5 -2 0 118.39 7.30 5 -2 0 96.69 6.90 5 -2 0 110.49 6.90 -5 2 0 101.19 5.10 -5 2 0 120.49 6.40 -5 2 0 114.39 7.00 -5 2 0 119.49 6.50 4 -2 0 212.38 7.90 4 -2 0 197.98 7.60 4 -2 0 190.78 7.20 4 -2 0 196.98 7.60 4 -2 0 189.88 7.30 -4 2 0 198.58 6.60 -4 2 0 192.38 7.40 -4 2 0 198.88 7.60 -4 2 0 208.88 7.30 -4 2 0 185.28 7.20 3 -2 0 99.99 4.40 3 -2 0 92.99 4.60 3 -2 0 102.39 4.60 3 -2 0 102.99 4.50 -3 2 0 95.19 4.40 -3 2 0 98.79 4.50 -3 2 0 97.29 4.30 -3 2 0 104.09 4.40 -3 2 0 102.39 4.60 2 -2 0 4374.86 85.59 2 -2 0 4622.24 85.69 2 -2 0 4511.15 85.29 2 -2 0 4313.37 85.79 2 -2 0 4466.65 84.39 2 -2 0 4335.27 86.09 -2 2 0 4579.44 85.19 -2 2 0 4555.74 85.59 -2 2 0 4587.44 85.79 -2 2 0 4604.34 85.89 -2 2 0 4434.86 85.99 1 -2 0 31.90 1.80 1 -2 0 32.90 1.70 1 -2 0 32.70 1.70 1 -2 0 33.10 1.70 1 -2 0 34.10 1.80 -1 2 0 32.90 1.80 -1 2 0 37.50 1.80 -1 2 0 32.20 2.10 -1 2 0 34.50 1.70 -1 2 0 35.00 1.70 -1 2 0 33.20 1.80 0 -2 0 231.38 5.90 0 -2 0 231.88 5.70 0 -2 0 223.88 5.80 0 -2 0 224.08 5.60 0 -2 0 223.88 5.70 0 -2 0 229.48 5.00 0 2 0 222.78 5.80 0 2 0 227.28 5.00 0 2 0 226.28 5.60 0 2 0 237.08 5.70 0 2 0 227.18 5.80 0 2 0 234.68 4.90 0 2 0 232.78 5.70 0 2 0 230.78 4.90 -1 -2 0 1490.75 29.20 -1 -2 0 1478.45 29.80 -1 -2 0 1500.65 30.00 1 2 0 1477.75 28.50 1 2 0 1487.05 28.40 1 2 0 1493.95 29.60 1 2 0 1527.85 29.70 1 2 0 1509.95 29.80 1 2 0 1502.25 29.70 1 2 0 1510.25 29.90 1 2 0 1487.45 30.00 1 2 0 1511.15 29.20 -2 -2 0 3439.26 64.99 -2 -2 0 3347.47 64.79 -2 -2 0 3454.15 65.89 -2 -2 0 3353.16 66.79 -2 -2 0 3351.16 64.69 -2 -2 0 3527.95 66.99 2 2 0 3466.55 64.89 2 2 0 3393.26 66.79 2 2 0 3388.66 65.29 2 2 0 3455.15 65.79 2 2 0 3570.64 65.59 2 2 0 3549.24 66.59 -3 -2 0 104.19 3.60 -3 -2 0 98.99 5.40 -3 -2 0 102.09 3.70 -3 -2 0 96.49 2.90 -3 -2 0 100.09 5.00 -3 -2 0 95.19 4.30 3 2 0 100.69 4.60 3 2 0 102.09 5.20 3 2 0 105.59 3.90 3 2 0 91.99 5.40 3 2 0 100.19 4.30 3 2 0 105.49 4.40 -4 -2 0 73.09 5.80 -4 -2 0 64.19 3.70 -4 -2 0 63.99 3.60 4 2 0 70.19 4.80 4 2 0 70.59 5.30 4 2 0 61.59 4.90 4 2 0 65.59 4.10 4 2 0 66.69 5.90 4 2 0 58.99 3.50 4 2 0 61.19 4.70 -5 -2 0 246.58 7.90 -5 -2 0 243.78 10.10 -5 -2 0 232.48 10.60 -5 -2 0 253.77 7.80 5 2 0 240.68 11.10 5 2 0 253.57 9.70 5 2 0 234.68 8.70 5 2 0 236.98 9.60 5 2 0 240.78 9.60 5 2 0 243.58 10.20 -6 -2 0 455.05 12.50 -6 -2 0 433.86 15.30 -6 -2 0 439.26 12.50 6 2 0 437.26 14.80 6 2 0 465.85 15.20 6 2 0 443.16 15.00 6 2 0 452.55 14.30 6 2 0 467.05 15.90 6 2 0 454.95 17.10 -7 -2 0 4.00 4.30 -7 -2 0 -6.30 3.50 -7 -2 0 3.50 5.60 7 2 0 -0.80 5.10 7 2 0 6.70 4.90 7 2 0 4.20 6.10 7 2 0 -6.40 7.10 -8 -2 0 -0.70 7.20 -8 -2 0 -1.40 4.70 8 2 0 8.60 8.00 8 2 0 3.70 7.80 8 2 0 -2.80 6.70 8 2 0 3.50 8.90 9 -3 0 -1.70 7.90 9 -3 0 -18.70 9.00 9 -3 0 -15.20 9.70 -9 3 0 6.60 5.00 -9 3 0 5.50 8.50 8 -3 0 60.49 9.40 8 -3 0 56.79 8.80 8 -3 0 60.29 8.90 -8 3 0 55.49 5.60 -8 3 0 47.20 8.60 7 -3 0 81.59 9.20 7 -3 0 77.79 8.80 7 -3 0 89.29 9.80 -7 3 0 82.69 9.10 -7 3 0 72.99 6.60 6 -3 0 20.30 5.40 6 -3 0 17.70 3.90 6 -3 0 8.60 3.90 6 -3 0 9.50 3.80 6 -3 0 3.30 4.80 -6 3 0 13.80 3.40 -6 3 0 11.50 4.00 -6 3 0 26.20 4.80 -6 3 0 15.80 4.20 5 -3 0 10.80 3.70 5 -3 0 6.90 3.60 5 -3 0 9.80 3.30 5 -3 0 9.60 3.00 5 -3 0 17.00 4.00 -5 3 0 11.00 3.30 -5 3 0 9.00 2.70 -5 3 0 2.30 2.30 -5 3 0 4.80 2.90 -5 3 0 13.90 4.00 -5 3 0 9.00 3.10 4 -3 0 5.60 2.20 4 -3 0 6.20 2.50 4 -3 0 5.20 2.00 4 -3 0 3.80 1.40 4 -3 0 7.40 2.30 4 -3 0 7.50 2.70 -4 3 0 3.70 2.20 -4 3 0 6.50 2.50 -4 3 0 11.40 2.60 -4 3 0 7.10 1.70 -4 3 0 7.50 2.30 -4 3 0 5.60 2.20 3 -3 0 505.35 13.20 3 -3 0 517.65 12.40 3 -3 0 533.55 13.20 3 -3 0 523.15 13.00 3 -3 0 500.15 12.60 3 -3 0 511.15 11.20 -3 3 0 492.95 12.80 -3 3 0 522.45 12.80 -3 3 0 520.95 12.30 -3 3 0 491.15 12.70 -3 3 0 510.35 12.90 -3 3 0 457.85 13.90 2 -3 0 665.83 14.60 2 -3 0 686.23 15.00 2 -3 0 665.33 15.00 2 -3 0 668.23 14.30 2 -3 0 685.13 15.00 -2 3 0 702.13 15.10 -2 3 0 659.93 15.70 -2 3 0 657.33 15.40 -2 3 0 682.83 15.10 -2 3 0 681.03 14.60 -2 3 0 663.23 15.10 1 -3 0 817.72 16.80 1 -3 0 832.82 16.70 1 -3 0 810.52 17.30 1 -3 0 819.02 16.70 1 -3 0 830.52 17.10 -1 3 0 806.42 16.90 -1 3 0 799.42 18.00 -1 3 0 818.82 17.10 -1 3 0 835.02 16.90 -1 3 0 805.52 16.80 -1 3 0 802.12 16.90 0 -3 0 245.88 6.70 0 -3 0 246.88 7.00 0 -3 0 241.88 6.90 0 -3 0 259.67 6.80 0 -3 0 248.98 6.70 0 3 0 247.78 5.70 0 3 0 245.88 6.70 0 3 0 255.37 6.80 0 3 0 249.88 6.60 0 3 0 251.77 5.60 0 3 0 241.78 5.60 0 3 0 239.28 6.80 -1 -3 0 56.99 3.20 -1 -3 0 58.69 3.40 -1 -3 0 58.29 3.00 -1 -3 0 63.39 3.10 1 3 0 62.49 3.30 1 3 0 61.09 3.30 1 3 0 63.09 2.10 1 3 0 59.19 3.00 1 3 0 61.79 2.00 1 3 0 64.19 3.30 1 3 0 64.19 3.30 1 3 0 64.09 3.50 -2 -3 0 60.69 3.00 -2 -3 0 63.49 4.00 -2 -3 0 65.69 3.90 2 3 0 63.29 4.10 2 3 0 64.99 2.90 2 3 0 63.99 3.50 2 3 0 57.49 4.30 2 3 0 67.29 4.10 2 3 0 63.49 2.70 2 3 0 64.19 2.80 2 3 0 60.69 3.80 -3 -3 0 1156.88 26.80 -3 -3 0 1183.68 24.10 3 3 0 1213.78 24.90 3 3 0 1186.08 26.80 3 3 0 1197.08 23.80 3 3 0 1229.18 25.40 3 3 0 1214.78 25.20 3 3 0 1233.18 26.50 3 3 0 1211.08 25.50 -4 -3 0 379.26 12.90 -4 -3 0 398.06 9.20 -4 -3 0 399.06 12.60 -4 -3 0 388.26 9.80 4 3 0 427.56 13.90 4 3 0 380.26 11.60 4 3 0 403.26 10.80 4 3 0 391.96 13.40 4 3 0 408.66 11.60 4 3 0 413.66 11.40 4 3 0 402.46 12.70 -5 -3 0 152.38 5.60 -5 -3 0 148.89 8.70 -5 -3 0 162.18 9.70 -5 -3 0 150.98 5.40 5 3 0 156.38 7.10 5 3 0 162.68 8.70 5 3 0 143.09 9.60 5 3 0 143.09 7.80 5 3 0 148.09 7.90 5 3 0 158.08 8.90 5 3 0 153.38 8.10 -6 -3 0 313.87 9.40 -6 -3 0 320.97 9.10 -6 -3 0 339.87 13.90 6 3 0 325.47 13.10 6 3 0 318.37 13.80 6 3 0 320.37 12.40 6 3 0 309.17 13.50 6 3 0 316.87 11.80 6 3 0 305.37 12.80 6 3 0 356.86 15.40 -7 -3 0 41.10 7.00 -7 -3 0 46.40 4.90 -7 -3 0 47.10 4.20 7 3 0 43.20 6.50 7 3 0 28.00 6.70 7 3 0 47.30 8.00 7 3 0 48.10 8.50 -8 -3 0 42.30 4.80 -8 -3 0 23.50 8.20 8 3 0 28.60 8.40 8 3 0 36.40 9.40 8 3 0 23.60 10.90 9 -4 0 3.90 9.50 9 -4 0 -8.90 7.70 9 -4 0 14.70 10.00 -9 4 0 -0.50 6.10 -9 4 0 3.30 9.20 8 -4 0 42.20 8.40 8 -4 0 29.60 4.00 8 -4 0 30.50 8.10 8 -4 0 23.50 8.60 -8 4 0 23.80 7.60 -8 4 0 28.50 5.90 7 -4 0 0.40 4.90 7 -4 0 3.00 4.60 7 -4 0 -0.60 2.60 7 -4 0 -6.70 5.20 -7 4 0 4.10 4.60 -7 4 0 -4.40 4.00 6 -4 0 300.37 11.60 6 -4 0 283.37 12.40 6 -4 0 294.07 11.60 6 -4 0 272.77 12.80 6 -4 0 283.07 12.80 6 -4 0 295.07 8.20 -6 4 0 271.97 11.60 -6 4 0 290.27 12.60 -6 4 0 288.67 11.50 -6 4 0 289.07 11.00 5 -4 0 349.17 12.30 5 -4 0 339.67 11.60 5 -4 0 358.86 12.30 5 -4 0 351.26 9.10 5 -4 0 361.06 11.50 5 -4 0 345.77 12.30 -5 4 0 337.57 12.00 -5 4 0 338.67 11.70 -5 4 0 346.57 11.90 -5 4 0 331.07 11.20 -5 4 0 347.07 12.00 -5 4 0 345.37 11.40 4 -4 0 4.00 1.70 4 -4 0 5.60 2.40 4 -4 0 7.20 2.70 4 -4 0 1.70 2.20 4 -4 0 6.10 2.20 4 -4 0 2.90 2.80 -4 4 0 3.50 2.10 -4 4 0 4.30 2.70 -4 4 0 3.10 2.30 -4 4 0 3.10 2.00 -4 4 0 2.90 2.10 3 -4 0 374.86 11.20 3 -4 0 383.56 10.10 3 -4 0 359.76 11.90 3 -4 0 377.86 10.50 3 -4 0 392.76 9.40 -3 4 0 362.46 10.60 -3 4 0 376.56 9.90 -3 4 0 381.76 11.30 -3 4 0 385.86 11.00 -3 4 0 385.76 10.60 -3 4 0 384.26 10.60 2 -4 0 285.87 7.70 2 -4 0 293.97 8.10 2 -4 0 285.17 7.80 2 -4 0 280.57 7.60 2 -4 0 278.87 7.70 -2 4 0 276.07 8.90 -2 4 0 285.67 7.60 -2 4 0 288.17 8.00 -2 4 0 287.17 8.00 -2 4 0 281.87 8.00 -2 4 0 282.37 7.60 -2 4 0 280.97 8.60 1 -4 0 1031.70 22.20 1 -4 0 1019.00 21.90 1 -4 0 1037.60 22.60 1 -4 0 1041.60 20.80 1 -4 0 1029.60 20.80 1 -4 0 1031.60 21.20 -1 4 0 1047.70 21.20 -1 4 0 1037.40 21.90 -1 4 0 1073.49 22.10 -1 4 0 1027.70 23.00 -1 4 0 1037.50 21.40 -1 4 0 1044.20 21.80 -1 4 0 1025.50 21.40 0 -4 0 59.09 3.50 0 -4 0 56.79 3.40 0 -4 0 57.99 3.80 0 -4 0 56.29 3.70 0 4 0 62.39 3.40 0 4 0 59.69 3.50 0 4 0 58.59 2.40 0 4 0 57.29 3.60 0 4 0 61.59 2.50 0 4 0 58.19 3.80 0 4 0 59.59 2.40 0 4 0 51.69 3.40 -1 -4 0 55.29 3.40 -1 -4 0 47.10 3.70 -1 -4 0 53.39 3.50 -1 -4 0 50.69 3.60 1 4 0 53.09 3.80 1 4 0 54.19 2.30 1 4 0 51.19 2.10 1 4 0 52.89 4.10 1 4 0 50.99 3.70 1 4 0 47.40 4.70 1 4 0 51.39 3.70 1 4 0 53.09 3.50 -2 -4 0 491.55 13.00 -2 -4 0 496.35 12.00 -2 -4 0 477.65 13.10 2 4 0 492.75 11.00 2 4 0 505.95 12.90 2 4 0 485.65 12.80 2 4 0 502.55 13.20 2 4 0 493.15 11.70 2 4 0 489.15 12.60 2 4 0 464.95 13.10 2 4 0 481.85 10.70 -3 -4 0 696.63 18.10 -3 -4 0 679.43 15.50 3 4 0 703.13 15.90 3 4 0 699.23 17.90 3 4 0 712.33 18.10 3 4 0 692.33 17.60 3 4 0 705.93 16.80 3 4 0 703.73 16.20 3 4 0 672.43 17.50 3 4 0 715.63 15.60 -4 -4 0 16.10 4.20 4 4 0 7.60 2.70 4 4 0 9.90 3.30 4 4 0 9.50 3.10 4 4 0 13.20 3.00 4 4 0 10.40 3.60 4 4 0 15.70 4.10 4 4 0 7.60 1.70 4 4 0 7.00 3.50 4 4 0 10.10 2.10 -5 -4 0 4.80 4.20 5 4 0 11.80 4.10 5 4 0 8.00 4.20 5 4 0 3.00 4.10 5 4 0 4.60 3.90 5 4 0 11.00 4.30 5 4 0 9.20 3.10 5 4 0 6.10 4.60 5 4 0 9.80 3.30 -6 -4 0 25.60 6.10 6 4 0 25.00 5.70 6 4 0 28.60 5.80 6 4 0 27.80 4.90 6 4 0 18.40 6.00 6 4 0 22.20 6.70 6 4 0 14.40 7.00 -7 -4 0 240.78 15.40 7 4 0 257.07 17.30 7 4 0 247.48 12.60 7 4 0 233.48 15.60 -8 -4 0 22.10 8.80 8 4 0 -2.10 9.20 8 4 0 -1.90 7.10 8 4 0 2.20 10.00 9 -5 0 20.80 10.20 9 -5 0 24.20 9.40 9 -5 0 20.80 10.60 -9 5 0 24.10 7.10 -9 5 0 1.90 8.80 8 -5 0 126.09 13.10 8 -5 0 153.48 13.10 8 -5 0 133.69 7.10 8 -5 0 113.59 12.00 -8 5 0 132.49 13.80 -8 5 0 129.79 11.00 7 -5 0 6.50 5.20 7 -5 0 6.30 2.70 7 -5 0 1.50 5.00 7 -5 0 8.10 6.60 -7 5 0 -2.00 5.10 -7 5 0 7.60 4.30 -7 5 0 -1.20 4.10 6 -5 0 39.30 6.00 6 -5 0 37.40 6.10 6 -5 0 40.60 5.80 6 -5 0 51.29 5.70 6 -5 0 50.79 7.00 6 -5 0 36.10 4.00 -6 5 0 46.80 5.60 -6 5 0 45.40 6.00 -6 5 0 37.90 5.20 -6 5 0 49.80 6.00 5 -5 0 51.19 5.90 5 -5 0 49.70 4.00 5 -5 0 49.40 5.80 5 -5 0 58.79 6.30 5 -5 0 51.79 6.10 5 -5 0 54.89 5.70 -5 5 0 39.30 4.80 -5 5 0 52.69 5.80 -5 5 0 53.99 6.00 -5 5 0 58.49 6.30 -5 5 0 50.89 5.60 -5 5 0 47.00 5.10 4 -5 0 396.16 12.10 4 -5 0 385.26 10.10 4 -5 0 378.86 11.10 4 -5 0 392.16 12.30 4 -5 0 394.66 11.70 -4 5 0 380.96 12.10 -4 5 0 388.56 12.70 -4 5 0 399.76 12.70 -4 5 0 398.06 11.20 -4 5 0 391.16 11.80 -4 5 0 393.26 12.10 3 -5 0 30.30 3.20 3 -5 0 28.40 3.70 3 -5 0 27.20 3.30 3 -5 0 32.50 3.70 3 -5 0 36.30 3.20 -3 5 0 33.50 3.60 -3 5 0 29.70 3.80 -3 5 0 31.50 3.50 -3 5 0 33.60 3.60 -3 5 0 34.30 3.30 -3 5 0 25.20 3.40 2 -5 0 -0.90 1.40 2 -5 0 2.20 1.60 2 -5 0 1.30 1.70 2 -5 0 0.40 1.80 2 -5 0 -0.10 1.70 -2 5 0 0.40 1.80 -2 5 0 5.00 1.70 -2 5 0 3.30 1.80 -2 5 0 1.10 1.90 -2 5 0 0.60 2.20 -2 5 0 0.50 1.70 -2 5 0 3.30 2.30 -2 5 0 3.60 1.50 1 -5 0 1209.28 27.70 1 -5 0 1296.37 26.00 1 -5 0 1289.87 25.00 1 -5 0 1257.47 27.30 1 -5 0 1269.87 27.10 -1 5 0 1314.47 27.30 -1 5 0 1285.07 25.90 -1 5 0 1275.37 27.00 -1 5 0 1302.17 27.00 -1 5 0 1276.47 27.80 -1 5 0 1279.87 26.20 -1 5 0 1281.07 26.30 -1 5 0 1244.58 28.30 0 -5 0 37.00 3.70 0 -5 0 44.60 3.60 0 -5 0 41.10 3.90 0 5 0 42.20 3.80 0 5 0 47.20 4.00 0 5 0 40.40 4.10 0 5 0 44.60 3.80 0 5 0 41.90 3.80 0 5 0 42.70 2.60 0 5 0 42.90 2.50 0 5 0 43.50 2.50 -1 -5 0 259.27 8.90 -1 -5 0 247.68 8.20 -1 -5 0 255.27 8.70 1 5 0 269.27 9.30 1 5 0 259.47 8.40 1 5 0 256.67 6.70 1 5 0 271.07 8.60 1 5 0 256.17 6.30 1 5 0 249.08 8.60 1 5 0 255.77 8.80 1 5 0 253.57 6.60 1 5 0 252.67 8.50 -2 -5 0 36.70 4.00 -2 -5 0 37.30 3.90 2 5 0 35.50 3.70 2 5 0 41.80 4.70 2 5 0 38.10 3.40 2 5 0 40.10 3.00 2 5 0 42.00 2.80 2 5 0 36.60 4.50 2 5 0 38.80 4.30 2 5 0 41.60 4.50 -3 -5 0 458.15 13.80 -3 -5 0 468.55 14.50 3 5 0 472.85 11.90 3 5 0 458.55 11.50 3 5 0 454.15 13.90 3 5 0 474.55 11.40 3 5 0 473.05 14.40 3 5 0 481.65 14.30 3 5 0 445.96 13.70 3 5 0 464.55 11.80 -4 -5 0 19.80 4.20 4 5 0 18.90 2.50 4 5 0 15.10 4.20 4 5 0 21.80 4.80 4 5 0 19.10 4.70 4 5 0 30.10 5.20 4 5 0 19.50 2.90 4 5 0 18.00 3.90 4 5 0 20.90 3.60 4 5 0 19.30 3.60 -5 -5 0 74.29 9.00 5 5 0 98.69 7.90 5 5 0 91.49 6.30 5 5 0 84.99 9.10 5 5 0 85.59 9.90 5 5 0 104.99 7.80 5 5 0 91.79 8.00 -6 -5 0 5.50 6.90 6 5 0 1.10 6.00 6 5 0 2.60 7.40 6 5 0 -5.30 3.80 6 5 0 7.60 6.00 6 5 0 -9.50 5.70 -7 -5 0 194.78 16.80 7 5 0 248.38 16.50 7 5 0 226.38 12.60 7 5 0 223.18 18.00 8 -6 0 21.60 9.50 8 -6 0 21.60 7.30 8 -6 0 28.60 8.30 -8 6 0 20.50 8.30 -8 6 0 16.80 6.60 7 -6 0 12.90 8.90 7 -6 0 7.70 3.50 7 -6 0 15.60 5.90 -7 6 0 13.10 4.90 -7 6 0 7.80 6.10 -7 6 0 12.40 6.10 6 -6 0 465.75 17.50 6 -6 0 474.35 12.40 6 -6 0 478.75 14.90 6 -6 0 484.85 16.10 6 -6 0 487.85 18.20 -6 6 0 449.36 16.20 -6 6 0 467.05 15.80 -6 6 0 498.75 14.50 -6 6 0 472.05 16.30 -6 6 0 472.05 17.50 5 -6 0 2.10 3.00 5 -6 0 9.30 4.60 5 -6 0 1.40 2.30 5 -6 0 9.40 4.60 5 -6 0 1.00 3.10 -5 6 0 6.50 3.30 -5 6 0 0.70 3.60 -5 6 0 1.50 3.50 -5 6 0 2.00 4.20 -5 6 0 0.10 4.80 -5 6 0 -1.60 3.20 4 -6 0 104.69 6.80 4 -6 0 80.19 5.80 4 -6 0 94.59 5.80 4 -6 0 99.59 5.20 -4 6 0 96.79 5.90 -4 6 0 86.79 6.00 -4 6 0 109.79 7.70 -4 6 0 94.59 6.50 -4 6 0 107.49 7.20 -4 6 0 86.79 7.40 3 -6 0 2.30 2.70 3 -6 0 -1.20 2.80 3 -6 0 0.80 2.10 3 -6 0 -2.30 2.10 3 -6 0 1.50 2.20 -3 6 0 -3.20 2.10 -3 6 0 2.50 2.00 -3 6 0 0.60 2.50 -3 6 0 -2.80 2.10 -3 6 0 -2.10 2.10 -3 6 0 -1.50 3.10 2 -6 0 163.58 5.50 2 -6 0 160.48 5.60 2 -6 0 164.68 6.90 2 -6 0 164.68 7.40 2 -6 0 161.08 6.20 2 -6 0 158.18 6.50 -2 6 0 167.08 7.90 -2 6 0 163.08 6.80 -2 6 0 154.58 5.90 -2 6 0 157.58 6.30 -2 6 0 150.58 6.20 -2 6 0 159.28 11.20 -2 6 0 161.78 6.50 -2 6 0 171.08 8.10 -2 6 0 148.99 7.20 1 -6 0 90.09 5.10 1 -6 0 81.89 5.60 1 -6 0 86.49 4.00 -1 6 0 94.69 5.20 -1 6 0 86.59 5.00 -1 6 0 85.99 4.40 -1 6 0 80.49 4.10 -1 6 0 71.99 4.70 -1 6 0 96.89 7.70 -1 6 0 84.79 5.70 -1 6 0 81.49 5.50 0 -6 0 6.20 2.30 0 -6 0 5.90 2.10 0 -6 0 6.90 2.40 0 6 0 6.30 1.50 0 6 0 5.90 1.70 0 6 0 7.20 2.50 0 6 0 4.60 2.40 0 6 0 1.60 4.40 0 6 0 2.90 1.80 0 6 0 1.50 2.60 -1 -6 0 654.33 16.60 -1 -6 0 633.14 17.10 -1 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565.74 14.00 2 -7 0 555.34 15.00 2 -7 0 547.45 16.10 -2 7 0 538.25 13.60 -2 7 0 540.85 14.80 -2 7 0 555.24 16.20 -2 7 0 564.54 15.20 -2 7 0 562.44 16.60 -2 7 0 537.95 16.70 -2 7 0 564.04 14.60 -2 7 0 540.15 14.40 -2 7 0 550.94 14.40 1 -7 0 133.09 5.10 1 -7 0 130.49 7.10 1 -7 0 129.99 7.50 -1 7 0 130.89 5.70 -1 7 0 125.19 5.20 -1 7 0 133.29 8.10 -1 7 0 130.09 7.30 -1 7 0 119.99 5.80 -1 7 0 130.59 6.80 -1 7 0 125.99 7.80 -1 7 0 124.09 6.80 0 -7 0 202.38 8.50 0 -7 0 205.28 9.20 0 7 0 203.38 9.20 0 7 0 213.88 9.70 0 7 0 215.38 6.90 0 7 0 211.08 6.10 0 7 0 213.78 7.00 0 7 0 223.88 10.30 0 7 0 204.38 9.20 0 7 0 211.08 9.10 -1 -7 0 18.40 4.10 -1 -7 0 17.50 3.90 -1 -7 0 15.30 3.50 1 7 0 16.20 3.50 1 7 0 24.40 4.70 1 7 0 22.20 4.30 1 7 0 13.70 2.60 1 7 0 12.50 3.90 1 7 0 17.90 2.60 1 7 0 7.30 4.00 -2 -7 0 58.19 6.20 -2 -7 0 48.70 5.80 2 7 0 57.69 5.40 2 7 0 48.20 6.20 2 7 0 56.29 5.90 2 7 0 55.79 4.20 2 7 0 53.49 6.10 2 7 0 49.10 4.40 2 7 0 45.10 5.50 -3 -7 0 333.87 12.60 -3 -7 0 316.87 13.50 3 7 0 290.87 12.50 3 7 0 310.77 12.90 3 7 0 314.87 9.50 3 7 0 314.57 10.40 3 7 0 317.67 9.20 3 7 0 316.07 10.10 -4 -7 0 38.40 7.30 4 7 0 24.30 5.90 4 7 0 28.30 3.60 4 7 0 37.10 4.00 4 7 0 24.70 4.50 -5 -7 0 39.10 8.40 5 7 0 44.80 5.40 5 7 0 48.40 7.80 5 7 0 59.09 7.20 5 7 0 56.79 9.60 5 7 0 42.50 6.50 5 7 0 54.49 5.50 -6 -7 0 -16.00 8.10 6 7 0 1.90 5.10 6 7 0 -1.40 8.00 6 7 0 -2.20 9.60 7 -8 0 26.20 6.70 7 -8 0 34.50 7.80 -7 8 0 27.60 7.90 -7 8 0 30.20 9.30 6 -8 0 -5.40 3.70 6 -8 0 6.70 4.50 6 -8 0 -0.90 5.10 -6 8 0 1.60 5.60 -6 8 0 4.50 7.90 -6 8 0 2.30 6.30 5 -8 0 55.69 5.90 5 -8 0 60.09 7.90 5 -8 0 69.99 6.50 5 -8 0 61.19 5.70 5 -8 0 59.99 7.10 -5 8 0 68.99 7.90 -5 8 0 65.69 8.10 -5 8 0 65.79 7.50 -5 8 0 66.99 5.90 -5 8 0 56.49 6.60 4 -8 0 378.26 13.90 4 -8 0 406.16 14.20 4 -8 0 391.26 12.10 4 -8 0 387.36 12.50 4 -8 0 382.56 12.70 -4 8 0 395.26 12.20 -4 8 0 388.96 12.80 -4 8 0 391.36 15.00 -4 8 0 392.16 15.70 -4 8 0 394.56 13.80 -4 8 0 371.46 13.80 -4 8 0 405.06 14.80 3 -8 0 13.60 4.10 3 -8 0 16.40 3.80 3 -8 0 17.50 4.30 3 -8 0 24.00 3.60 3 -8 0 23.00 3.10 -3 8 0 17.10 4.40 -3 8 0 22.40 5.50 -3 8 0 20.00 4.00 -3 8 0 24.50 4.00 -3 8 0 26.90 4.70 -3 8 0 27.80 4.40 -3 8 0 30.50 4.60 -3 8 0 18.10 5.80 -3 8 0 24.60 3.80 2 -8 0 47.00 5.50 2 -8 0 58.59 6.20 2 -8 0 58.89 5.40 -2 8 0 58.99 5.30 -2 8 0 61.29 7.10 -2 8 0 75.19 7.10 -2 8 0 61.79 4.60 -2 8 0 45.90 6.10 -2 8 0 57.09 5.30 -2 8 0 61.09 6.80 -2 8 0 73.79 6.10 1 -8 0 39.20 5.10 1 -8 0 31.70 5.00 -1 8 0 44.90 4.50 -1 8 0 45.00 5.70 -1 8 0 34.90 3.90 -1 8 0 39.00 4.30 -1 8 0 37.00 5.20 -1 8 0 42.90 4.90 -1 8 0 51.89 6.20 0 -8 0 322.77 12.50 0 -8 0 322.77 11.60 0 8 0 314.97 12.30 0 8 0 311.37 11.80 0 8 0 314.97 12.50 0 8 0 322.07 9.40 0 8 0 305.17 12.50 0 8 0 334.47 9.90 -1 -8 0 59.99 7.10 -1 -8 0 62.99 6.70 -1 -8 0 61.39 6.60 1 8 0 51.79 4.10 1 8 0 62.09 6.50 1 8 0 56.69 5.00 1 8 0 69.69 6.90 -2 -8 0 14.20 4.60 -2 -8 0 14.10 5.40 2 8 0 13.40 2.60 2 8 0 17.50 4.20 2 8 0 22.30 5.00 2 8 0 18.80 3.40 -3 -8 0 12.10 5.00 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102.29 11.00 -5 -7 9 83.09 9.80 4 7 -9 208.38 8.70 4 7 -9 212.18 7.70 4 7 -9 221.68 8.10 4 7 -9 204.58 9.60 4 7 -9 214.98 8.60 4 7 -9 208.98 12.00 -4 -7 9 209.78 14.20 -4 -7 9 209.58 12.30 3 7 -9 22.70 4.10 3 7 -9 20.30 5.00 3 7 -9 40.70 6.00 3 7 -9 25.90 4.10 -3 -7 9 28.50 5.10 -3 -7 9 28.30 5.90 2 7 -9 592.74 17.30 2 7 -9 544.75 13.80 2 7 -9 527.75 17.50 2 7 -9 538.95 16.60 2 7 -9 533.45 15.40 -2 -7 9 557.74 15.80 -2 -7 9 524.55 17.10 -2 -7 9 567.94 16.70 1 7 -9 632.04 14.70 1 7 -9 645.74 16.10 1 7 -9 619.74 18.10 1 7 -9 622.54 18.30 1 7 -9 641.64 14.00 1 7 -9 645.84 17.90 1 7 -9 633.54 14.50 1 7 -9 713.13 22.80 -1 -7 9 635.14 17.90 -1 -7 9 608.64 18.30 -1 -7 9 652.73 17.50 0 7 -9 898.61 23.30 0 7 -9 885.01 20.10 0 7 -9 900.61 22.60 0 7 -9 882.11 19.10 0 7 -9 907.11 22.50 0 7 -9 894.81 19.80 0 7 -9 890.21 19.10 0 -7 9 909.41 21.80 0 -7 9 900.41 22.20 0 -7 9 887.81 22.80 0 -7 9 879.01 22.90 -1 7 -9 71.89 5.10 -1 7 -9 68.19 7.10 -1 7 -9 87.39 5.20 -1 7 -9 81.49 4.40 -1 7 -9 73.09 7.00 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84.29 10.60 7 6 -9 108.89 13.70 -7 -6 9 121.29 13.80 -7 -6 9 110.39 13.20 6 6 -9 71.49 6.80 6 6 -9 67.79 8.00 6 6 -9 74.99 8.20 6 6 -9 62.59 10.20 -6 -6 9 71.99 11.50 -6 -6 9 73.39 10.50 5 6 -9 37.00 7.20 5 6 -9 18.20 3.80 5 6 -9 22.10 5.00 -5 -6 9 19.50 5.70 -5 -6 9 12.60 7.50 4 6 -9 81.29 10.70 4 6 -9 103.29 9.10 4 6 -9 94.99 5.70 4 6 -9 95.09 6.70 4 6 -9 89.09 5.70 4 6 -9 91.89 8.30 4 6 -9 96.19 5.30 4 6 -9 77.79 5.60 -4 -6 9 91.19 9.50 -4 -6 9 98.19 8.60 3 6 -9 28.70 4.60 3 6 -9 27.10 4.40 3 6 -9 25.10 2.80 3 6 -9 23.30 3.40 3 6 -9 21.50 4.50 3 6 -9 23.70 4.90 3 6 -9 30.10 3.60 3 6 -9 21.40 5.40 -3 -6 9 25.50 3.90 -3 -6 9 25.60 5.70 -3 -6 9 23.30 4.70 2 6 -9 256.27 10.80 2 6 -9 252.17 6.80 2 6 -9 262.67 11.70 2 6 -9 245.58 9.80 2 6 -9 255.57 9.60 2 6 -9 258.57 10.70 2 6 -9 247.48 7.10 2 6 -9 247.78 7.70 -2 -6 9 258.37 10.10 -2 -6 9 248.78 9.40 -2 -6 9 248.18 10.30 1 6 -9 293.67 11.60 1 6 -9 280.57 10.00 1 6 -9 283.47 9.10 1 6 -9 276.47 10.50 1 6 -9 274.37 7.40 1 6 -9 286.77 10.90 1 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90.49 7.70 4 -6 9 89.79 8.30 4 -6 9 92.79 6.70 4 -6 9 88.29 4.80 4 -6 9 96.69 6.50 -5 6 -9 -1.50 4.70 -5 6 -9 0.30 4.40 -5 6 -9 -2.60 4.70 5 -6 9 1.70 4.00 5 -6 9 -1.00 5.50 5 -6 9 4.10 2.60 5 -6 9 4.60 4.30 5 -6 9 -0.10 2.50 -6 6 -9 52.29 7.80 -6 6 -9 34.70 7.40 6 -6 9 37.50 7.20 6 -6 9 44.00 5.30 6 -6 9 38.10 6.50 6 -6 9 51.09 4.70 -7 6 -9 -17.40 6.40 -7 6 -9 1.60 6.80 7 -6 9 -0.30 3.10 7 -6 9 -3.90 4.90 7 -6 9 -0.20 7.60 7 5 -9 148.89 10.80 7 5 -9 179.68 17.00 -7 -5 9 172.48 12.80 -7 -5 9 182.38 16.20 6 5 -9 16.80 4.60 6 5 -9 21.00 8.40 6 5 -9 20.70 5.80 6 5 -9 13.60 6.00 6 5 -9 19.40 5.40 -6 -5 9 16.50 8.30 -6 -5 9 20.80 6.00 5 5 -9 310.87 14.40 5 5 -9 307.27 10.30 5 5 -9 326.07 11.20 5 5 -9 332.57 12.30 5 5 -9 304.17 12.10 -5 -5 9 329.67 13.00 -5 -5 9 310.07 14.50 -5 -5 9 320.87 13.60 4 5 -9 351.06 13.60 4 5 -9 347.47 11.10 4 5 -9 334.27 10.10 4 5 -9 353.36 11.90 4 5 -9 339.87 9.30 4 5 -9 351.26 12.20 4 5 -9 330.47 10.10 4 5 -9 327.07 13.40 -4 -5 9 356.36 13.70 -4 -5 9 349.17 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1 -5 9 882.11 21.20 1 -5 9 889.51 17.90 1 -5 9 914.91 20.90 1 -5 9 872.51 21.40 1 -5 9 918.41 18.90 -2 5 -9 27.70 3.40 -2 5 -9 21.00 3.40 -2 5 -9 17.30 3.70 -2 5 -9 21.60 2.30 2 -5 9 27.00 4.30 2 -5 9 19.50 3.10 2 -5 9 20.30 2.70 2 -5 9 20.70 2.50 -3 5 -9 40.10 3.70 -3 5 -9 40.60 4.60 -3 5 -9 44.50 5.10 -3 5 -9 57.69 6.10 3 -5 9 38.40 4.00 3 -5 9 40.20 4.30 3 -5 9 31.60 5.20 3 -5 9 39.80 3.10 3 -5 9 52.99 5.80 3 -5 9 43.70 4.10 -4 5 -9 185.58 9.90 -4 5 -9 199.78 8.40 -4 5 -9 181.18 9.20 -4 5 -9 182.98 9.50 4 -5 9 193.68 5.60 4 -5 9 183.98 8.90 4 -5 9 189.58 8.40 4 -5 9 187.48 10.20 4 -5 9 191.78 6.50 4 -5 9 187.48 6.70 -5 5 -9 115.69 8.60 -5 5 -9 94.09 9.30 -5 5 -9 86.99 8.60 5 -5 9 114.39 10.60 5 -5 9 98.19 6.40 5 -5 9 101.89 8.40 5 -5 9 109.69 8.10 -6 5 -9 1.90 7.20 -6 5 -9 9.70 9.20 6 -5 9 7.50 5.40 6 -5 9 10.40 4.20 6 -5 9 10.60 5.50 -7 5 -9 -10.00 7.00 -7 5 -9 11.40 7.90 7 -5 9 3.20 7.00 7 -5 9 -2.90 7.50 7 -5 9 6.70 6.70 -8 5 -9 16.10 8.80 -8 5 -9 22.90 9.40 8 -5 9 28.80 9.10 8 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3 -9 40.60 5.40 6 3 -9 33.70 5.40 6 3 -9 33.50 7.50 6 3 -9 18.50 4.90 6 3 -9 25.20 5.70 -6 -3 9 37.00 5.90 -6 -3 9 41.90 7.00 -6 -3 9 29.80 4.80 5 3 -9 150.28 8.40 5 3 -9 161.78 8.40 5 3 -9 159.38 10.00 5 3 -9 156.78 7.60 5 3 -9 148.49 8.20 5 3 -9 146.49 4.90 -5 -3 9 147.99 8.10 -5 -3 9 162.48 9.50 -5 -3 9 138.19 11.10 -5 -3 9 166.38 9.20 4 3 -9 112.29 6.00 4 3 -9 112.39 7.60 4 3 -9 114.59 7.90 4 3 -9 104.69 5.90 4 3 -9 103.49 4.70 4 3 -9 119.19 6.20 4 3 -9 109.29 5.80 -4 -3 9 114.99 8.90 -4 -3 9 100.99 7.20 -4 -3 9 111.89 6.50 -4 -3 9 108.29 5.50 -4 -3 9 112.49 6.80 3 3 -9 388.76 10.90 3 3 -9 421.16 12.70 3 3 -9 418.26 11.10 3 3 -9 418.16 10.60 3 3 -9 430.66 13.20 3 3 -9 414.66 10.70 3 3 -9 411.36 10.90 -3 -3 9 415.56 13.20 -3 -3 9 404.56 12.10 -3 -3 9 405.26 11.10 -3 -3 9 427.36 12.80 -3 -3 9 395.26 9.00 -3 -3 9 410.36 10.80 2 3 -9 4.40 1.70 2 3 -9 4.70 1.50 2 3 -9 5.20 2.10 2 3 -9 5.60 1.70 2 3 -9 8.70 2.80 2 3 -9 4.70 1.80 2 3 -9 8.50 2.60 -2 -3 9 7.20 1.60 -2 -3 9 7.30 1.30 -2 -3 9 5.80 2.20 -2 -3 9 9.10 2.60 -2 -3 9 5.30 1.40 -2 -3 9 7.20 2.00 1 3 -9 1852.61 39.00 1 3 -9 1906.01 40.30 1 3 -9 1890.01 38.70 1 3 -9 1866.41 38.40 1 3 -9 1954.50 38.10 1 3 -9 1888.51 39.80 1 3 -9 1907.21 39.00 -1 -3 9 1899.71 37.60 -1 -3 9 1861.01 39.30 -1 -3 9 1947.31 37.40 -1 -3 9 1913.81 39.00 -1 -3 9 1896.01 39.10 0 3 -9 101.49 4.90 0 3 -9 105.49 4.30 0 3 -9 102.79 4.80 0 -3 9 95.59 5.00 0 -3 9 96.69 4.10 0 -3 9 103.19 4.30 0 -3 9 110.49 4.50 0 -3 9 104.59 4.70 -1 3 -9 1202.18 27.10 -1 3 -9 1227.08 26.30 -1 3 -9 1224.98 27.90 -1 3 -9 1212.48 24.40 1 -3 9 1231.68 26.40 1 -3 9 1235.38 25.70 1 -3 9 1239.18 24.00 1 -3 9 1215.18 26.30 1 -3 9 1244.58 26.10 1 -3 9 1274.17 28.00 -2 3 -9 16.90 2.90 -2 3 -9 24.50 2.40 -2 3 -9 21.70 3.00 -2 3 -9 25.00 3.50 2 -3 9 29.70 4.00 2 -3 9 29.00 2.90 2 -3 9 25.60 2.80 2 -3 9 21.20 2.70 2 -3 9 25.00 3.40 2 -3 9 26.10 3.10 -3 3 -9 794.52 20.40 -3 3 -9 790.32 20.50 -3 3 -9 779.62 19.30 3 -3 9 780.32 18.30 3 -3 9 779.92 17.30 3 -3 9 782.32 20.70 3 -3 9 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17.30 9.10 -7 -5 10 11.70 8.40 -7 -5 10 18.90 7.80 6 5 -10 140.69 11.30 6 5 -10 157.08 14.20 6 5 -10 146.59 9.70 6 5 -10 161.78 10.70 -6 -5 10 154.88 13.40 -6 -5 10 161.18 13.50 -6 -5 10 171.28 11.80 5 5 -10 4.50 2.00 5 5 -10 -1.00 3.50 5 5 -10 8.10 4.30 5 5 -10 1.30 4.20 5 5 -10 -2.50 5.40 5 5 -10 -0.40 2.10 -5 -5 10 1.20 4.30 -5 -5 10 7.00 5.50 -5 -5 10 7.00 5.60 4 5 -10 4.30 3.90 4 5 -10 4.30 3.00 4 5 -10 1.80 4.30 4 5 -10 -3.00 2.50 4 5 -10 -1.00 2.70 4 5 -10 -1.50 4.90 4 5 -10 -2.40 2.90 -4 -5 10 1.70 4.50 -4 -5 10 0.20 3.20 -4 -5 10 3.90 3.70 3 5 -10 8.90 2.50 3 5 -10 7.10 4.40 3 5 -10 5.50 2.70 3 5 -10 12.30 3.70 3 5 -10 6.90 3.30 3 5 -10 11.00 2.60 3 5 -10 1.90 4.60 3 5 -10 9.90 2.70 -3 -5 10 16.70 4.00 -3 -5 10 5.40 3.10 2 5 -10 1480.75 34.40 2 5 -10 1488.25 34.20 2 5 -10 1484.35 33.50 2 5 -10 1483.95 33.00 2 5 -10 1525.15 32.40 2 5 -10 1482.85 30.90 2 5 -10 1509.95 30.60 2 5 -10 1480.45 29.70 -2 -5 10 1515.65 33.10 -2 -5 10 1519.85 33.20 -2 -5 10 1485.05 33.60 1 5 -10 133.79 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20.10 -6 4 -10 526.55 21.60 6 -4 10 542.95 17.10 6 -4 10 545.15 18.60 -7 4 -10 21.00 8.00 -7 4 -10 16.40 7.20 7 -4 10 27.20 13.60 7 -4 10 26.20 6.60 7 -4 10 21.90 7.80 8 3 -10 4.10 8.00 8 3 -10 -2.90 8.70 8 3 -10 -5.10 10.00 -8 -3 10 19.10 9.10 -8 -3 10 3.00 6.70 7 3 -10 31.90 9.70 7 3 -10 25.30 6.20 7 3 -10 36.40 7.50 -7 -3 10 32.00 6.90 -7 -3 10 17.30 5.80 6 3 -10 20.40 5.40 6 3 -10 21.70 5.50 6 3 -10 24.20 5.80 6 3 -10 23.80 7.20 6 3 -10 31.10 5.10 -6 -3 10 33.00 6.60 -6 -3 10 22.80 4.90 -6 -3 10 32.40 6.90 5 3 -10 -4.40 3.50 5 3 -10 3.40 3.80 5 3 -10 -3.00 3.40 5 3 -10 -3.60 3.90 5 3 -10 1.60 2.10 5 3 -10 1.80 3.70 -5 -3 10 -6.80 4.10 -5 -3 10 0.70 3.40 -5 -3 10 14.90 6.10 -5 -3 10 -2.90 4.10 4 3 -10 169.28 7.40 4 3 -10 198.48 9.20 4 3 -10 153.28 7.30 4 3 -10 158.38 6.20 4 3 -10 154.48 6.90 4 3 -10 171.18 9.60 4 3 -10 180.98 9.20 -4 -3 10 159.48 6.90 -4 -3 10 152.28 8.00 -4 -3 10 156.48 7.50 -4 -3 10 167.38 8.60 -4 -3 10 158.18 5.00 -4 -3 10 154.58 10.00 3 3 -10 243.28 9.70 3 3 -10 226.28 8.00 3 3 -10 240.68 7.70 3 3 -10 235.18 8.10 3 3 -10 234.68 9.90 3 3 -10 231.78 7.30 -3 -3 10 237.58 6.30 -3 -3 10 248.38 9.20 -3 -3 10 204.08 13.60 -3 -3 10 229.18 7.90 -3 -3 10 237.38 7.50 2 3 -10 487.75 10.90 2 3 -10 499.85 11.90 2 3 -10 476.25 12.60 2 3 -10 490.45 14.00 2 3 -10 476.25 12.80 2 3 -10 515.65 14.10 2 3 -10 474.95 12.30 -2 -3 10 506.85 12.90 -2 -3 10 474.05 13.50 -2 -3 10 486.05 10.80 -2 -3 10 490.15 14.00 -2 -3 10 489.55 11.20 -2 -3 10 493.85 11.20 1 3 -10 261.57 9.30 1 3 -10 265.77 8.90 1 3 -10 263.27 8.40 1 3 -10 264.97 8.10 1 3 -10 272.67 8.90 1 3 -10 258.17 9.60 -1 -3 10 268.17 9.10 -1 -3 10 247.98 8.70 -1 -3 10 259.77 7.20 -1 -3 10 264.27 7.40 -1 -3 10 263.87 7.30 0 3 -10 2025.80 41.90 0 3 -10 2012.30 40.70 0 3 -10 2016.00 43.40 0 3 -10 2091.49 41.70 0 3 -10 2100.99 42.60 0 3 -10 2072.69 42.40 0 -3 10 2043.40 40.60 0 -3 10 2087.69 41.80 0 -3 10 2043.30 41.10 0 -3 10 2062.89 41.40 0 -3 10 2024.50 42.20 -1 3 -10 179.18 7.40 -1 3 -10 162.38 7.50 -1 3 -10 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10 3.90 2.00 -4 -2 10 2.70 3.00 -4 -2 10 4.50 2.70 -4 -2 10 0.00 4.00 -4 -2 10 2.90 2.20 3 2 -10 56.39 5.40 3 2 -10 62.89 3.80 3 2 -10 60.69 4.80 3 2 -10 60.79 4.90 3 2 -10 62.29 6.20 3 2 -10 63.49 4.10 3 2 -10 66.79 4.50 -3 -2 10 62.49 4.30 -3 -2 10 65.99 3.90 -3 -2 10 64.29 4.00 -3 -2 10 62.79 4.30 2 2 -10 126.79 4.40 2 2 -10 124.29 5.70 2 2 -10 122.59 5.70 2 2 -10 126.69 6.80 2 2 -10 131.29 6.00 2 2 -10 129.59 6.20 -2 -2 10 140.79 7.10 -2 -2 10 121.09 5.20 -2 -2 10 138.39 4.50 -2 -2 10 127.69 5.00 -2 -2 10 129.19 5.40 1 2 -10 437.76 12.50 1 2 -10 470.95 11.90 1 2 -10 450.75 13.00 1 2 -10 445.16 12.30 1 2 -10 447.46 12.10 1 2 -10 452.55 12.40 -1 -2 10 444.96 12.60 -1 -2 10 436.66 11.20 -1 -2 10 436.96 9.90 -1 -2 10 452.85 11.60 -1 -2 10 450.35 9.60 0 2 -10 5.90 2.10 0 2 -10 5.00 2.40 0 2 -10 3.70 1.90 0 2 -10 5.30 2.10 0 2 -10 4.10 2.00 0 -2 10 5.70 1.20 0 -2 10 4.80 1.80 0 -2 10 4.40 2.30 0 -2 10 5.00 1.30 -1 2 -10 159.08 7.10 -1 2 -10 155.98 6.60 -1 2 -10 150.08 4.10 -1 2 -10 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204.48 17.90 -4 -1 20 177.88 13.10 -4 -1 20 191.88 10.80 3 1 -20 -1.60 8.50 3 1 -20 6.90 8.20 3 1 -20 2.20 7.40 -3 -1 20 12.40 6.70 2 1 -20 7.00 7.70 2 1 -20 18.40 8.60 2 1 -20 11.20 7.60 -2 -1 20 13.40 6.60 1 1 -20 244.08 15.50 1 1 -20 266.47 17.00 1 1 -20 242.08 14.40 -1 -1 20 264.07 10.10 -1 -1 20 249.68 13.80 0 1 -20 286.07 16.00 0 -1 20 264.37 14.30 0 -1 20 244.68 10.20 -1 1 -20 13.20 8.20 -1 1 -20 12.80 7.20 1 -1 20 5.90 5.40 1 -1 20 3.70 6.70 -2 1 -20 40.70 9.20 -2 1 -20 21.30 8.20 2 -1 20 46.90 8.90 2 -1 20 44.00 6.50 4 0 -20 5.00 9.40 4 0 -20 -3.00 8.20 4 0 -20 13.00 10.30 -4 0 20 9.40 6.90 3 0 -20 90.29 11.00 3 0 -20 109.39 12.40 3 0 -20 99.79 11.00 -3 0 20 84.79 8.90 2 0 -20 32.30 9.00 2 0 -20 23.80 7.30 -2 0 20 27.90 7.20 1 0 -20 134.89 13.60 1 0 -20 129.79 13.20 -1 0 20 139.29 12.50 -1 0 20 133.59 9.90 0 0 -20 80.29 10.70 0 0 -20 85.59 9.10 0 0 20 63.59 8.80 0 0 20 79.19 7.70 -1 0 -20 94.49 10.80 -1 0 -20 133.39 7.80 -1 0 -20 120.09 12.10 1 0 20 120.69 13.10 1 0 20 116.49 10.40 -2 0 -20 31.30 8.80 -2 0 -20 36.40 9.00 2 0 20 34.00 8.10 2 0 20 23.70 7.10 4 -1 -20 12.50 7.90 4 -1 -20 6.60 10.30 4 -1 -20 6.70 9.50 -4 1 20 -0.50 7.70 -4 1 20 11.20 8.40 3 -1 -20 153.68 16.20 3 -1 -20 177.38 18.10 -3 1 20 168.28 14.00 -3 1 20 150.28 14.80 2 -1 -20 0.80 6.90 2 -1 -20 5.20 6.80 -2 1 20 8.80 7.20 -2 1 20 5.60 7.70 1 -1 -20 0.10 6.80 1 -1 -20 -2.40 6.70 -1 1 20 6.40 6.90 -1 1 20 -6.90 6.60 0 -1 -20 2.30 6.50 0 -1 -20 4.70 7.20 0 1 20 -3.00 5.90 0 1 20 5.20 7.20 -1 -1 -20 422.76 13.40 -1 -1 -20 425.66 17.30 -1 -1 -20 418.66 20.60 1 1 20 438.56 18.70 1 1 20 421.86 17.50 3 -2 -20 12.00 8.00 -3 2 20 12.20 7.90 -3 2 20 5.90 8.30 2 -2 -20 12.80 7.00 2 -2 -20 6.70 8.40 -2 2 20 8.00 7.20 -2 2 20 -5.20 7.00 1 -2 -20 49.99 10.00 1 -2 -20 52.19 8.40 -1 2 20 55.69 8.70 -1 2 20 45.10 8.90 0 -2 -20 0.10 8.60 0 -2 -20 5.70 5.70 0 -2 -20 15.50 6.70 0 2 20 -0.80 7.40 0 2 20 3.20 6.70 0 2 20 8.30 7.00 2 6 -21 29.00 9.10 2 6 -21 37.20 9.40 2 6 -21 32.20 9.20 -2 -6 21 36.80 9.20 -2 -6 21 36.40 8.80 1 6 -21 294.87 18.60 1 6 -21 268.17 17.00 -1 -6 21 295.67 17.10 -1 -6 21 276.07 17.90 0 6 -21 4.60 8.20 0 6 -21 0.70 8.20 0 -6 21 3.20 7.70 0 -6 21 5.40 5.40 0 -6 21 -7.20 7.50 0 -6 21 -0.80 5.50 -1 6 -21 33.90 10.90 -1 6 -21 35.50 9.60 1 -6 21 13.20 8.30 1 -6 21 33.40 8.80 1 -6 21 11.90 6.10 1 -6 21 21.90 5.60 3 5 -21 154.68 16.10 3 5 -21 143.89 13.50 -3 -5 21 151.08 14.30 -3 -5 21 131.89 12.50 2 5 -21 48.30 9.70 2 5 -21 38.30 10.20 2 5 -21 46.00 9.30 -2 -5 21 47.90 9.10 -2 -5 21 52.89 8.90 -2 -5 21 44.30 5.10 1 5 -21 389.66 19.00 1 5 -21 395.16 20.50 -1 -5 21 388.46 18.80 -1 -5 21 374.66 18.20 -1 -5 21 377.46 13.20 0 5 -21 6.90 7.80 0 5 -21 0.80 8.80 0 -5 21 7.70 7.20 0 -5 21 5.40 5.20 -1 5 -21 34.60 9.40 -1 5 -21 29.80 9.40 1 -5 21 31.10 8.40 1 -5 21 14.30 6.50 -2 5 -21 30.90 9.40 -2 5 -21 32.40 9.40 2 -5 21 29.80 7.80 3 4 -21 155.78 17.10 3 4 -21 160.68 17.90 -3 -4 21 189.58 13.80 -3 -4 21 152.98 14.70 -3 -4 21 179.28 10.10 2 4 -21 28.00 8.10 2 4 -21 29.50 14.20 2 4 -21 25.20 8.70 -2 -4 21 20.10 5.50 -2 -4 21 34.50 7.80 -2 -4 21 27.50 8.80 1 4 -21 2.30 8.70 1 4 -21 15.80 8.40 -1 -4 21 3.40 6.80 -1 -4 21 3.60 5.20 0 4 -21 27.30 7.80 0 4 -21 32.80 9.10 0 -4 21 23.70 6.40 0 -4 21 29.80 7.80 -1 4 -21 181.18 17.10 -1 4 -21 188.98 15.40 1 -4 21 207.88 14.30 1 -4 21 184.88 13.60 -2 4 -21 53.59 11.00 -2 4 -21 31.30 9.40 2 -4 21 40.50 8.90 2 -4 21 49.10 8.40 4 3 -21 69.49 11.60 4 3 -21 97.29 11.60 4 3 -21 78.59 12.40 -4 -3 21 84.69 11.00 -4 -3 21 85.19 7.90 3 3 -21 19.80 10.60 3 3 -21 22.90 10.20 -3 -3 21 21.40 5.80 2 3 -21 38.70 10.00 2 3 -21 40.10 8.00 2 3 -21 37.40 9.00 -2 -3 21 55.09 6.90 1 3 -21 207.08 15.50 1 3 -21 190.58 16.90 -1 -3 21 192.88 13.70 0 3 -21 240.28 15.50 0 3 -21 253.47 17.50 0 -3 21 222.88 13.30 -1 3 -21 52.79 9.50 -1 3 -21 75.29 11.30 1 -3 21 70.29 8.50 1 -3 21 60.69 8.50 -2 3 -21 47.30 10.90 -2 3 -21 33.00 8.80 2 -3 21 31.20 7.60 2 -3 21 33.50 8.60 4 2 -21 40.20 11.50 4 2 -21 14.70 10.80 4 2 -21 34.00 9.70 -4 -2 21 47.70 6.90 -4 -2 21 39.60 8.70 3 2 -21 12.80 9.20 3 2 -21 -7.20 9.10 -3 -2 21 4.00 6.20 -3 -2 21 1.20 6.60 2 2 -21 44.80 8.40 2 2 -21 56.59 10.60 2 2 -21 46.00 9.80 -2 -2 21 54.99 7.90 1 2 -21 11.40 8.60 1 2 -21 12.60 7.20 -1 -2 21 10.40 6.50 0 2 -21 44.50 9.40 0 2 -21 35.40 9.10 0 -2 21 34.90 5.40 0 -2 21 41.20 7.70 -1 2 -21 2.90 7.80 -1 2 -21 0.20 7.10 1 -2 21 10.70 7.60 1 -2 21 -11.10 5.60 -2 2 -21 107.39 12.10 -2 2 -21 128.79 12.70 2 -2 21 136.49 14.40 4 1 -21 59.29 13.00 4 1 -21 69.09 12.70 4 1 -21 53.99 10.10 -4 -1 21 72.79 7.80 -4 -1 21 69.09 8.70 3 1 -21 42.50 9.50 3 1 -21 41.10 9.90 -3 -1 21 40.40 8.20 2 1 -21 74.59 10.80 2 1 -21 58.69 10.00 -2 -1 21 72.09 9.00 1 1 -21 6.80 7.70 1 1 -21 -11.90 7.30 -1 -1 21 5.20 7.20 -1 -1 21 -10.40 4.70 0 1 -21 47.80 9.40 0 1 -21 50.39 9.20 0 -1 21 46.30 8.50 0 -1 21 46.10 6.10 -1 1 -21 30.80 8.00 -1 1 -21 8.00 8.40 1 -1 21 16.80 8.10 1 -1 21 20.80 6.40 3 0 -21 53.19 12.20 3 0 -21 39.80 10.30 -3 0 21 31.70 8.70 2 0 -21 22.60 9.30 2 0 -21 9.20 8.30 -2 0 21 36.60 7.90 1 0 -21 -0.90 8.00 1 0 -21 6.10 8.10 -1 0 21 16.90 7.60 -1 0 21 -0.10 5.50 0 0 -21 80.79 10.80 0 0 -21 84.39 11.20 0 0 21 98.79 10.40 0 0 21 95.89 10.30 -1 0 -21 13.40 8.80 -1 0 -21 7.60 7.90 1 0 21 10.10 7.70 1 0 21 9.50 6.30 3 -1 -21 29.10 9.50 3 -1 -21 27.60 10.30 -3 1 21 12.20 8.70 -3 1 21 29.80 8.50 2 -1 -21 3.30 8.70 2 -1 -21 0.80 8.10 -2 1 21 4.10 8.00 -2 1 21 3.10 7.40 1 -1 -21 7.00 7.80 1 -1 -21 23.90 14.30 -1 1 21 7.90 6.20 -1 1 21 16.60 8.50 0 -1 -21 -4.40 7.40 0 1 21 16.40 8.20 0 1 21 6.60 6.70 2 4 -22 62.39 12.20 2 4 -22 46.00 10.10 2 4 -22 43.20 10.00 -2 -4 22 52.69 9.50 -2 -4 22 44.50 9.30 -2 -4 22 45.20 6.90 1 4 -22 5.10 9.30 1 4 -22 12.90 8.30 -1 -4 22 20.80 8.40 -1 -4 22 0.70 6.40 0 4 -22 53.99 10.70 0 4 -22 55.89 9.40 0 -4 22 50.59 8.20 0 -4 22 33.00 9.00 2 3 -22 13.00 9.40 2 3 -22 9.00 8.20 2 3 -22 9.60 9.50 -2 -3 22 15.00 7.00 1 3 -22 -13.40 8.60 1 3 -22 -14.60 7.90 -1 -3 22 5.80 7.20 0 3 -22 27.10 10.60 0 3 -22 31.40 9.90 0 -3 22 22.80 7.70 0 -3 22 26.60 8.00 2 2 -22 167.48 18.70 2 2 -22 182.08 16.40 -2 -2 22 168.78 13.70 1 2 -22 57.79 10.90 1 2 -22 64.59 10.90 -1 -2 22 69.09 9.20 0 2 -22 23.50 8.40 0 2 -22 7.50 9.50 0 -2 22 14.90 8.10 2 1 -22 87.89 11.50 2 1 -22 101.09 12.60 -2 -1 22 113.49 10.60 1 1 -22 -10.90 6.90 1 1 -22 -1.90 9.20 -1 -1 22 3.40 8.00 0 1 -22 10.90 9.60 0 1 -22 18.00 8.50 0 -1 22 9.30 8.10 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 44293 _shelx_res_file ; TITL mo_190114a_0m_a.res in P-1 a.res created by SHELXL-2018/3 at 15:20:23 on 24-Mar-2019 CELL 0.71073 7.248 9.3135 17.2244 102.62 95.86 99.15 ZERR 2 0.0003 0.0003 0.0006 0.001 0.001 0.001 LATT 1 SFAC C H N O Zn UNIT 36 36 4 34 6 L.S. 20 PLAN 20 SIZE 0.11 0.12 0.12 TEMP 20 BOND $H LIST 4 conf fmap 2 acta htab omit 0 1 1 omit 1 -1 1 EQIV $6 -x+2, -y+1, -z+1 HTAB O13 O2_$6 EQIV $3 -x+1, -y+1, -z+1 HTAB O13 O3_$3 HTAB O14 O4_$6 HTAB O14 O16 EQIV $4 -x+1, -y, -z+1 HTAB O15 O7_$4 EQIV $7 x+1, y, z HTAB O15 O11_$7 HTAB O16 O7_$3 EQIV $8 x, y+1, z+1 HTAB O16 O1_$8 HTAB O17 O10_$4 HTAB O17 O14_$4 EQIV $9 -x+1, -y, -z HTAB N1 O3_$9 HTAB N1 O13_$4 EQIV $10 -x, -y-1, -z+1 HTAB N2 O17_$10 EQIV $11 -x, -y, -z+1 HTAB N2 O17 WGHT 0.036000 1.947200 FVAR 0.44823 ZN1 5 0.872189 0.695035 0.119073 11.00000 0.03205 0.01748 = 0.01903 0.00922 0.00861 0.00976 ZN2 5 0.608721 0.435805 0.751213 11.00000 0.01967 0.01773 = 0.02243 0.00531 -0.00079 0.00263 ZN3 5 0.649420 0.355565 0.397865 11.00000 0.03631 0.01121 = 0.01584 0.00443 0.00554 0.00254 O1 4 0.873159 0.108945 -0.107284 11.00000 0.08565 0.07436 = 0.02701 0.01857 0.03230 0.02616 O2 4 0.991158 0.316281 -0.020296 11.00000 0.07028 0.03211 = 0.07476 0.03075 0.05128 0.01524 O3 4 0.640272 0.445740 0.049127 11.00000 0.03316 0.01672 = 0.02427 0.00921 -0.00058 0.00896 O4 4 0.896738 0.491412 0.137777 11.00000 0.02371 0.01646 = 0.02309 0.00639 -0.00026 0.00124 O5 4 0.519491 0.381722 0.206426 11.00000 0.04318 0.02338 = 0.02862 0.00847 0.01168 0.01928 O6 4 0.651757 0.257203 0.287483 11.00000 0.05717 0.02707 = 0.01383 0.00501 0.00657 0.01962 O7 4 0.360649 0.061378 0.375487 11.00000 0.05424 0.02771 = 0.01737 0.00254 0.00660 0.00102 O8 4 0.455642 0.286790 0.458161 11.00000 0.05076 0.01667 = 0.02580 0.00675 0.01798 0.00314 O9 4 0.228488 0.428900 0.574255 11.00000 0.03198 0.01233 = 0.03176 0.00762 -0.00040 0.00469 O10 4 0.509984 0.425773 0.633133 11.00000 0.02881 0.02416 = 0.02267 0.00916 -0.00467 -0.00880 O11 4 0.073700 0.191260 0.763414 11.00000 0.02436 0.02453 = 0.02134 0.00499 0.00825 0.00028 O12 4 0.355431 0.316795 0.763810 11.00000 0.02638 0.02847 = 0.02193 0.00016 0.00460 -0.00662 O13 4 0.681405 0.450533 0.876737 11.00000 0.03320 0.03727 = 0.02291 0.00712 -0.00001 0.01071 AFIX 3 H13A 2 0.788445 0.490823 0.904287 11.00000 -1.50000 H13B 2 0.615725 0.502643 0.905397 11.00000 -1.50000 AFIX 0 O14 4 0.858745 0.570414 0.749739 11.00000 0.02422 0.02461 = 0.04115 0.01049 -0.00530 -0.00124 AFIX 3 H14A 2 0.956955 0.567734 0.780509 11.00000 -1.50000 H14B 2 0.863525 0.663484 0.753459 11.00000 -1.50000 AFIX 0 O15 4 0.713806 0.236818 0.720312 11.00000 0.03751 0.02990 = 0.05756 -0.00913 -0.01342 0.01803 AFIX 3 H15A 2 0.658116 0.152598 0.690542 11.00000 -1.50000 H15B 2 0.820396 0.211448 0.728392 11.00000 -1.50000 AFIX 0 O16 4 0.830296 0.854674 0.758345 11.00000 0.06740 0.02752 = 0.05137 0.01249 -0.01004 0.00025 AFIX 3 H16A 2 0.755036 0.867714 0.720395 11.00000 -1.50000 H16B 2 0.852306 0.925434 0.800595 11.00000 -1.50000 AFIX 0 O17 4 0.141014 -0.514486 0.411819 11.00000 0.06814 0.16006 = 0.07418 0.02711 0.01501 0.00142 AFIX 3 H17A 2 0.260734 -0.502696 0.416939 11.00000 -1.50000 H17B 2 0.107064 -0.525946 0.361789 11.00000 -1.50000 AFIX 0 N1 3 0.637720 -0.227040 0.077367 11.00000 0.03150 0.01019 = 0.02032 0.00488 0.00001 0.00302 AFIX 3 H1A 2 0.584140 -0.279830 0.027787 11.00000 -1.20000 H1B 2 0.555410 -0.246730 0.111117 11.00000 -1.20000 AFIX 0 N2 3 0.122506 -0.275968 0.550825 11.00000 0.04278 0.01044 = 0.02934 0.00553 -0.00999 -0.00241 AFIX 3 H2A 2 0.029846 -0.300628 0.579215 11.00000 -1.20000 H2B 2 0.099926 -0.323508 0.498405 11.00000 -1.20000 AFIX 0 C1 1 0.884066 0.189358 -0.040092 11.00000 0.04086 0.03670 = 0.03869 0.02749 0.02405 0.02779 C2 1 0.758394 0.401854 0.090982 11.00000 0.02231 0.01304 = 0.01555 0.00674 0.00572 0.00372 C3 1 0.605883 0.284295 0.220397 11.00000 0.02297 0.01246 = 0.01867 0.00382 0.00618 0.00193 C4 1 0.661794 0.181876 0.149813 11.00000 0.02142 0.01241 = 0.01449 0.00409 0.00212 0.00474 C5 1 0.736903 0.236930 0.088276 11.00000 0.01955 0.01239 = 0.01685 0.00720 0.00153 0.00373 C6 1 0.782379 0.136826 0.023022 11.00000 0.02605 0.01819 = 0.01800 0.00971 0.00656 0.01009 C7 1 0.744579 -0.016584 0.018571 11.00000 0.03069 0.01545 = 0.01531 0.00365 0.00546 0.01045 AFIX 43 H7A 2 0.770117 -0.083545 -0.025813 11.00000 -1.20000 AFIX 0 C8 1 0.669020 -0.069927 0.080037 11.00000 0.02207 0.01114 = 0.01963 0.00541 -0.00002 0.00488 C9 1 0.632367 0.029494 0.146341 11.00000 0.02641 0.01482 = 0.01582 0.00729 0.00588 0.00522 AFIX 43 H9A 2 0.587864 -0.005792 0.188749 11.00000 -1.20000 AFIX 0 C10 1 0.373884 0.149569 0.441423 11.00000 0.02642 0.02102 = 0.01775 0.00713 0.00363 0.00891 C11 1 0.349896 0.358559 0.597592 11.00000 0.02753 0.01108 = 0.01324 0.00392 0.00310 0.00060 C12 1 0.215169 0.221878 0.728430 11.00000 0.02341 0.01446 = 0.01633 0.00836 0.00333 0.00546 C13 1 0.215361 0.130789 0.645037 11.00000 0.01853 0.01370 = 0.01698 0.00606 0.00146 0.00296 C14 1 0.289971 0.191647 0.584236 11.00000 0.01828 0.01122 = 0.01569 0.00602 0.00031 0.00364 C15 1 0.294982 0.095150 0.510155 11.00000 0.02130 0.01462 = 0.01517 0.00514 0.00046 0.00379 C16 1 0.233052 -0.059044 0.498590 11.00000 0.02757 0.01421 = 0.01756 0.00151 -0.00134 0.00556 AFIX 43 H16C 2 0.237880 -0.122937 0.449427 11.00000 -1.20000 AFIX 0 C17 1 0.164721 -0.117513 0.559470 11.00000 0.02261 0.01057 = 0.02498 0.00678 -0.00543 -0.00019 C18 1 0.151821 -0.022233 0.631737 11.00000 0.02117 0.01547 = 0.02155 0.00920 0.00025 0.00005 AFIX 43 H18A 2 0.100108 -0.061119 0.671735 11.00000 -1.20000 AFIX 0 HKLF 4 REM mo_190114a_0m_a.res in P-1 REM wR2 = 0.0752, GooF = S = 1.021, Restrained GooF = 1.021 for all data REM R1 = 0.0281 for 4499 Fo > 4sig(Fo) and 0.0351 for all 5127 data REM 361 parameters refined using 0 restraints END WGHT 0.0342 1.7619 REM Instructions for potential hydrogen bonds HTAB O13 O2_$6 HTAB O13 O4_$6 HTAB O13 O3_$3 HTAB O14 O4_$6 HTAB O14 O16 HTAB O15 O7_$4 HTAB O15 O11_$7 HTAB O16 O7_$3 HTAB O16 O1_$8 HTAB O17 O10_$4 HTAB O17 O14_$4 HTAB N1 O3_$9 HTAB N1 O12_$4 HTAB N1 O13_$4 HTAB N2 O17_$10 HTAB N2 O9_$11 HTAB N2 O17 REM Highest difference peak 0.484, deepest hole -0.942, 1-sigma level 0.087 Q1 1 0.7617 0.0908 -0.1280 11.00000 0.05 0.48 Q2 1 0.7501 0.8608 0.7853 11.00000 0.05 0.40 Q3 1 0.6299 0.2260 0.1834 11.00000 0.05 0.39 Q4 1 0.2116 0.1814 0.6820 11.00000 0.05 0.36 Q5 1 0.7420 0.3119 0.0947 11.00000 0.05 0.35 Q6 1 0.3183 0.2715 0.5925 11.00000 0.05 0.35 Q7 1 0.3101 0.1268 0.4778 11.00000 0.05 0.34 Q8 1 0.2675 0.1586 0.6213 11.00000 0.05 0.34 Q9 1 0.6918 0.4425 0.7195 11.00000 0.05 0.33 Q10 1 0.6825 0.2163 0.1194 11.00000 0.05 0.33 Q11 1 0.2851 0.1504 0.5438 11.00000 0.05 0.33 Q12 1 0.7506 0.0648 0.0199 11.00000 0.05 0.31 Q13 1 1.0331 0.3365 -0.0100 11.00000 0.05 0.31 Q14 1 0.6646 -0.1509 0.0803 11.00000 0.05 0.30 Q15 1 1.0074 0.3233 0.0096 11.00000 0.05 0.30 Q16 1 0.7762 0.6878 0.1359 11.00000 0.05 0.29 Q17 1 0.6968 -0.0413 0.0459 11.00000 0.05 0.29 Q18 1 0.2958 0.0134 0.5067 11.00000 0.05 0.28 Q19 1 0.6929 -0.0166 0.1172 11.00000 0.05 0.28 Q20 1 0.1877 -0.0830 0.5298 11.00000 0.05 0.27 ; _shelx_res_checksum 30724 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_occupancy Zn Zn1 0.87219(5) 0.69503(3) 0.11907(2) 0.02115(8) Uani d 1 Zn Zn2 0.60872(4) 0.43581(3) 0.75121(2) 0.02023(8) Uani d 1 Zn Zn3 0.64942(5) 0.35556(3) 0.39787(2) 0.02101(8) Uani d 1 O O1 0.8732(5) 0.1089(3) -0.10728(15) 0.0583(8) Uani d 1 O O2 0.9912(4) 0.3163(3) -0.02030(18) 0.0526(7) Uani d 1 O O3 0.6403(3) 0.4457(2) 0.04913(11) 0.0239(4) Uani d 1 O O4 0.8967(3) 0.49141(19) 0.13778(11) 0.0214(4) Uani d 1 O O5 0.5195(3) 0.3817(2) 0.20643(12) 0.0294(4) Uani d 1 O O6 0.6518(3) 0.2572(2) 0.28748(11) 0.0312(5) Uani d 1 O O7 0.3606(3) 0.0614(2) 0.37549(12) 0.0342(5) Uani d 1 O O8 0.4556(3) 0.2868(2) 0.45816(12) 0.0303(5) Uani d 1 O O9 0.2285(3) 0.42890(19) 0.57425(12) 0.0253(4) Uani d 1 O O10 0.5100(3) 0.4258(2) 0.63313(11) 0.0268(4) Uani d 1 O O11 0.0737(3) 0.1913(2) 0.76341(11) 0.0236(4) Uani d 1 O O12 0.3554(3) 0.3168(2) 0.76381(12) 0.0278(4) Uani d 1 O O13 0.6814(3) 0.4505(2) 0.87674(12) 0.0310(5) Uani d 1 H H13A 0.788445 0.490823 0.904287 0.046 Uiso d 1 H H13B 0.615725 0.502643 0.905397 0.046 Uiso d 1 O O14 0.8587(3) 0.5704(2) 0.74974(13) 0.0310(5) Uani d 1 H H14A 0.956955 0.567734 0.780509 0.046 Uiso d 1 H H14B 0.863525 0.663484 0.753459 0.046 Uiso d 1 O O15 0.7138(3) 0.2368(3) 0.72031(15) 0.0449(6) Uani d 1 H H15A 0.658116 0.152598 0.690542 0.067 Uiso d 1 H H15B 0.820396 0.211448 0.728392 0.067 Uiso d 1 O O16 0.8303(4) 0.8547(3) 0.75834(16) 0.0506(7) Uani d 1 H H16A 0.755036 0.867714 0.720395 0.076 Uiso d 1 H H16B 0.852306 0.925434 0.800595 0.076 Uiso d 1 O O17 0.1410(5) -0.5145(5) 0.4118(2) 0.1028(14) Uani d 1 H H17A 0.260734 -0.502696 0.416939 0.154 Uiso d 1 H H17B 0.107064 -0.525946 0.361789 0.154 Uiso d 1 N N1 0.6377(3) -0.2270(2) 0.07737(13) 0.0208(4) Uani d 1 H H1A 0.584140 -0.279830 0.027787 0.025 Uiso d 1 H H1B 0.555410 -0.246730 0.111117 0.025 Uiso d 1 N N2 0.1225(4) -0.2760(2) 0.55083(15) 0.0293(5) Uani d 1 H H2A 0.029846 -0.300628 0.579215 0.035 Uiso d 1 H H2B 0.099926 -0.323508 0.498405 0.035 Uiso d 1 C C1 0.8841(5) 0.1894(4) -0.04009(19) 0.0322(7) Uani d 1 C C2 0.7584(4) 0.4019(3) 0.09098(14) 0.0162(5) Uani d 1 C C3 0.6059(4) 0.2843(3) 0.22040(15) 0.0179(5) Uani d 1 C C4 0.6618(3) 0.1819(3) 0.14981(14) 0.0158(5) Uani d 1 C C5 0.7369(3) 0.2369(3) 0.08828(14) 0.0157(5) Uani d 1 C C6 0.7824(4) 0.1368(3) 0.02302(15) 0.0190(5) Uani d 1 C C7 0.7446(4) -0.0166(3) 0.01857(15) 0.0196(5) Uani d 1 H H7A 0.770117 -0.083545 -0.025813 0.024 Uiso calc 1 C C8 0.6690(4) -0.0699(3) 0.08004(15) 0.0174(5) Uani d 1 C C9 0.6324(4) 0.0295(3) 0.14634(15) 0.0181(5) Uani d 1 H H9A 0.587864 -0.005792 0.188749 0.022 Uiso calc 1 C C10 0.3739(4) 0.1496(3) 0.44142(15) 0.0208(5) Uani d 1 C C11 0.3499(4) 0.3586(3) 0.59759(14) 0.0175(5) Uani d 1 C C12 0.2152(4) 0.2219(3) 0.72843(15) 0.0171(5) Uani d 1 C C13 0.2154(3) 0.1308(3) 0.64504(14) 0.0161(5) Uani d 1 C C14 0.2900(3) 0.1916(3) 0.58424(14) 0.0147(5) Uani d 1 C C15 0.2950(4) 0.0952(3) 0.51016(14) 0.0169(5) Uani d 1 C C16 0.2331(4) -0.0590(3) 0.49859(15) 0.0203(5) Uani d 1 H H16C 0.237880 -0.122937 0.449427 0.024 Uiso calc 1 C C17 0.1647(4) -0.1175(3) 0.55947(16) 0.0200(5) Uani d 1 C C18 0.1518(4) -0.0222(3) 0.63174(16) 0.0192(5) Uani d 1 H H18A 0.100108 -0.061119 0.671735 0.023 Uiso calc 1 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Zn1 0.03205(18) 0.01748(15) 0.01903(15) 0.00976(12) 0.00861(12) 0.00922(11) Zn2 0.01967(15) 0.01773(15) 0.02243(16) 0.00263(11) -0.00079(11) 0.00531(11) Zn3 0.03631(18) 0.01121(14) 0.01584(15) 0.00254(12) 0.00554(12) 0.00443(11) O1 0.086(2) 0.074(2) 0.0270(13) 0.0262(16) 0.0323(13) 0.0186(13) O2 0.0703(18) 0.0321(13) 0.0748(19) 0.0152(12) 0.0513(15) 0.0308(13) O3 0.0332(11) 0.0167(9) 0.0243(10) 0.0090(8) -0.0006(8) 0.0092(7) O4 0.0237(9) 0.0165(8) 0.0231(9) 0.0012(7) -0.0003(7) 0.0064(7) O5 0.0432(12) 0.0234(10) 0.0286(11) 0.0193(9) 0.0117(9) 0.0085(8) O6 0.0572(14) 0.0271(10) 0.0138(9) 0.0196(10) 0.0066(9) 0.0050(8) O7 0.0542(14) 0.0277(11) 0.0174(10) 0.0010(10) 0.0066(9) 0.0025(8) O8 0.0508(13) 0.0167(9) 0.0258(10) 0.0031(9) 0.0180(9) 0.0068(8) O9 0.0320(11) 0.0123(8) 0.0318(11) 0.0047(7) -0.0004(8) 0.0076(8) O10 0.0288(10) 0.0242(10) 0.0227(10) -0.0088(8) -0.0047(8) 0.0092(8) O11 0.0244(10) 0.0245(9) 0.0213(9) 0.0003(8) 0.0083(7) 0.0050(7) O12 0.0264(10) 0.0285(10) 0.0219(10) -0.0066(8) 0.0046(8) 0.0002(8) O13 0.0332(11) 0.0373(12) 0.0229(10) 0.0107(9) 0.0000(8) 0.0071(9) O14 0.0242(10) 0.0246(10) 0.0412(12) -0.0012(8) -0.0053(9) 0.0105(9) O15 0.0375(13) 0.0299(12) 0.0576(16) 0.0180(10) -0.0134(11) -0.0091(11) O16 0.0674(18) 0.0275(12) 0.0514(16) 0.0003(11) -0.0100(13) 0.0125(11) O17 0.068(2) 0.160(4) 0.074(3) 0.001(3) 0.015(2) 0.027(3) N1 0.0315(12) 0.0102(9) 0.0203(11) 0.0030(8) 0.0000(9) 0.0049(8) N2 0.0428(15) 0.0104(10) 0.0293(13) -0.0024(9) -0.0100(11) 0.0055(9) C1 0.0409(17) 0.0367(16) 0.0387(17) 0.0278(14) 0.0240(14) 0.0275(14) C2 0.0223(12) 0.0130(11) 0.0155(11) 0.0037(9) 0.0057(9) 0.0067(9) C3 0.0230(13) 0.0125(11) 0.0187(12) 0.0019(9) 0.0062(10) 0.0038(9) C4 0.0214(12) 0.0124(11) 0.0145(11) 0.0047(9) 0.0021(9) 0.0041(9) C5 0.0195(12) 0.0124(11) 0.0168(11) 0.0037(9) 0.0015(9) 0.0072(9) C6 0.0260(13) 0.0182(12) 0.0180(12) 0.0101(10) 0.0066(10) 0.0097(10) C7 0.0307(14) 0.0154(11) 0.0153(11) 0.0104(10) 0.0055(10) 0.0036(9) C8 0.0221(12) 0.0111(11) 0.0196(12) 0.0049(9) 0.0000(10) 0.0054(9) C9 0.0264(13) 0.0148(11) 0.0158(11) 0.0052(10) 0.0059(10) 0.0073(9) C10 0.0264(14) 0.0210(12) 0.0177(12) 0.0089(10) 0.0036(10) 0.0071(10) C11 0.0275(13) 0.0111(11) 0.0132(11) 0.0006(9) 0.0031(10) 0.0039(9) C12 0.0234(13) 0.0145(11) 0.0163(12) 0.0055(9) 0.0033(9) 0.0084(9) C13 0.0185(12) 0.0137(11) 0.0170(12) 0.0030(9) 0.0015(9) 0.0061(9) C14 0.0183(12) 0.0112(10) 0.0157(11) 0.0036(9) 0.0003(9) 0.0060(9) C15 0.0213(12) 0.0146(11) 0.0152(11) 0.0038(9) 0.0005(9) 0.0051(9) C16 0.0276(14) 0.0142(11) 0.0176(12) 0.0056(10) -0.0013(10) 0.0015(9) C17 0.0226(13) 0.0106(11) 0.0250(13) -0.0002(9) -0.0054(10) 0.0068(10) C18 0.0212(12) 0.0155(11) 0.0216(12) 0.0000(9) 0.0003(10) 0.0092(10) 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' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag O4 Zn1 O11 . 2_666 96.74(8) y O4 Zn1 O2 . 2_765 97.91(8) y O11 Zn1 O2 2_666 2_765 136.57(10) y O4 Zn1 N1 . 1_565 130.45(8) y O11 Zn1 N1 2_666 1_565 102.11(8) y O2 Zn1 N1 2_765 1_565 98.81(10) y O4 Zn1 O1 . 2_765 126.91(9) y O11 Zn1 O1 2_666 2_765 82.03(8) y O2 Zn1 O1 2_765 2_765 56.69(10) y N1 Zn1 O1 1_565 2_765 101.02(9) y O4 Zn1 C1 . 2_765 116.58(8) ? O11 Zn1 C1 2_666 2_765 109.55(10) ? O2 Zn1 C1 2_765 2_765 28.83(11) ? N1 Zn1 C1 1_565 2_765 99.45(9) ? O1 Zn1 C1 2_765 2_765 27.97(10) ? O14 Zn2 O12 . . 173.84(8) y O14 Zn2 O10 . . 93.57(8) y O12 Zn2 O10 . . 90.42(8) y O14 Zn2 O5 . 2_666 92.74(9) y O12 Zn2 O5 . 2_666 82.40(8) y O10 Zn2 O5 . 2_666 92.22(8) y O14 Zn2 O15 . . 94.18(9) y O12 Zn2 O15 . . 90.32(9) y O10 Zn2 O15 . . 92.70(9) y O5 Zn2 O15 2_666 . 171.24(10) y O14 Zn2 O13 . . 90.83(9) y O12 Zn2 O13 . . 84.85(8) y O10 Zn2 O13 . . 173.72(8) y O5 Zn2 O13 2_666 . 83.08(8) y O15 Zn2 O13 . . 91.44(9) y O6 Zn3 O8 . . 121.43(9) y O6 Zn3 O9 . 2_666 113.23(9) y O8 Zn3 O9 . 2_666 119.52(8) y O6 Zn3 N2 . 2_656 97.68(9) y O8 Zn3 N2 . 2_656 99.62(10) y O9 Zn3 N2 2_666 2_656 96.77(8) y C1 O1 Zn1 . 2_765 82.5(2) ? C1 O2 Zn1 . 2_765 99.8(2) ? C2 O4 Zn1 . . 104.30(15) ? C3 O5 Zn2 . 2_666 149.38(18) ? C3 O6 Zn3 . . 135.29(17) ? C10 O8 Zn3 . . 121.02(17) ? C11 O9 Zn3 . 2_666 106.62(16) ? C11 O10 Zn2 . . 124.64(16) ? C12 O11 Zn1 . 2_666 109.97(16) ? C12 O12 Zn2 . . 145.03(18) ? Zn2 O13 H13A . . 125.2 ? Zn2 O13 H13B . . 112.2 ? H13A O13 H13B . . 97.3 ? Zn2 O14 H14A . . 120.1 ? Zn2 O14 H14B . . 120.0 ? H14A O14 H14B . . 103.4 ? Zn2 O15 H15A . . 128.7 ? Zn2 O15 H15B . . 135.4 ? H15A O15 H15B . . 95.8 ? H16A O16 H16B . . 114.8 ? H17A O17 H17B . . 104.5 ? C8 N1 Zn1 . 1_545 115.05(16) ? C8 N1 H1A . . 109.9 ? Zn1 N1 H1A 1_545 . 112.4 ? C8 N1 H1B . . 109.3 ? Zn1 N1 H1B 1_545 . 103.0 ? H1A N1 H1B . . 106.7 ? C17 N2 Zn3 . 2_656 111.86(17) ? C17 N2 H2A . . 110.9 ? Zn3 N2 H2A 2_656 . 102.9 ? C17 N2 H2B . . 110.1 ? Zn3 N2 H2B 2_656 . 106.4 ? H2A N2 H2B . . 114.4 ? O1 C1 O2 . . 120.6(3) ? O1 C1 C6 . . 121.3(3) ? O2 C1 C6 . . 117.9(3) ? O1 C1 Zn1 . 2_765 69.56(19) ? O2 C1 Zn1 . 2_765 51.39(15) ? C6 C1 Zn1 . 2_765 165.5(2) ? O3 C2 O4 . . 122.4(2) ? O3 C2 C5 . . 119.3(2) ? O4 C2 C5 . . 118.3(2) ? O5 C3 O6 . . 127.7(2) ? O5 C3 C4 . . 117.5(2) ? O6 C3 C4 . . 114.8(2) ? C9 C4 C5 . . 120.4(2) ? C9 C4 C3 . . 118.1(2) ? C5 C4 C3 . . 121.4(2) ? C4 C5 C6 . . 119.3(2) ? C4 C5 C2 . . 119.6(2) ? C6 C5 C2 . . 121.0(2) ? C7 C6 C5 . . 119.7(2) ? C7 C6 C1 . . 118.1(2) ? C5 C6 C1 . . 122.0(2) ? C8 C7 C6 . . 120.4(2) ? C8 C7 H7A . . 119.8 ? C6 C7 H7A . . 119.8 ? C9 C8 C7 . . 119.9(2) ? C9 C8 N1 . . 119.5(2) ? C7 C8 N1 . . 120.5(2) ? C8 C9 C4 . . 120.2(2) ? C8 C9 H9A . . 119.9 ? C4 C9 H9A . . 119.9 ? O7 C10 O8 . . 124.7(2) ? O7 C10 C15 . . 119.7(2) ? O8 C10 C15 . . 115.6(2) ? O10 C11 O9 . . 121.3(2) ? O10 C11 C14 . . 121.8(2) ? O9 C11 C14 . . 116.9(2) ? O12 C12 O11 . . 121.2(2) ? O12 C12 C13 . . 120.6(2) ? O11 C12 C13 . . 118.0(2) ? C18 C13 C14 . . 120.3(2) ? C18 C13 C12 . . 116.2(2) ? C14 C13 C12 . . 123.3(2) ? C15 C14 C13 . . 118.7(2) ? C15 C14 C11 . . 121.1(2) ? C13 C14 C11 . . 120.1(2) ? C16 C15 C14 . . 119.9(2) ? C16 C15 C10 . . 117.4(2) ? C14 C15 C10 . . 122.6(2) ? C17 C16 C15 . . 120.7(2) ? C17 C16 H16C . . 119.7 ? C15 C16 H16C . . 119.7 ? C16 C17 C18 . . 119.7(2) ? C16 C17 N2 . . 120.5(2) ? C18 C17 N2 . . 119.6(2) ? C17 C18 C13 . . 120.5(2) ? C17 C18 H18A . . 119.7 ? C13 C18 H18A . . 119.7 ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Zn1 O4 . 2.0235(18) y Zn1 O11 2_666 2.0350(19) y Zn1 O2 2_765 2.046(2) y Zn1 N1 1_565 2.074(2) y Zn1 O1 2_765 2.439(3) y Zn1 C1 2_765 2.580(3) ? Zn2 O14 . 2.039(2) y Zn2 O12 . 2.0458(19) y Zn2 O10 . 2.0630(19) y Zn2 O5 2_666 2.0936(19) y Zn2 O15 . 2.097(2) y Zn2 O13 . 2.141(2) y Zn3 O6 . 1.9248(19) y Zn3 O8 . 1.940(2) y Zn3 O9 2_666 1.9926(18) y Zn3 N2 2_656 2.107(2) y O1 C1 . 1.221(4) ? O2 C1 . 1.263(4) ? O3 C2 . 1.238(3) ? O4 C2 . 1.275(3) ? O5 C3 . 1.232(3) ? O6 C3 . 1.259(3) ? O7 C10 . 1.232(3) ? O8 C10 . 1.277(3) ? O9 C11 . 1.261(3) ? O10 C11 . 1.253(3) ? O11 C12 . 1.267(3) ? O12 C12 . 1.240(3) ? O13 H13A . 0.8499 ? O13 H13B . 0.8501 ? O14 H14A . 0.8501 ? O14 H14B . 0.8499 ? O15 H15A . 0.8499 ? O15 H15B . 0.8500 ? O16 H16A . 0.8500 ? O16 H16B . 0.8501 ? O17 H17A . 0.8501 ? O17 H17B . 0.8501 ? N1 C8 . 1.434(3) ? N1 H1A . 0.9000 ? N1 H1B . 0.9000 ? N2 C17 . 1.430(3) ? N2 H2A . 0.9000 ? N2 H2B . 0.9001 ? C1 C6 . 1.499(4) ? C2 C5 . 1.509(3) ? C3 C4 . 1.506(3) ? C4 C9 . 1.388(3) ? C4 C5 . 1.396(3) ? C5 C6 . 1.399(3) ? C6 C7 . 1.395(3) ? C7 C8 . 1.389(3) ? C7 H7A . 0.9300 ? C8 C9 . 1.382(3) ? C9 H9A . 0.9300 ? C10 C15 . 1.515(3) ? C11 C14 . 1.506(3) ? C12 C13 . 1.500(3) ? C13 C18 . 1.387(3) ? C13 C14 . 1.410(3) ? C14 C15 . 1.399(3) ? C15 C16 . 1.398(3) ? C16 C17 . 1.382(4) ? C16 H16C . 0.9300 ? C17 C18 . 1.383(4) ? C18 H18A . 0.9300 ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag O13 H13A O2 2_766 0.85 2.58 3.358(4) 153.5 yes O13 H13B O3 2_666 0.85 2.17 2.964(3) 155.6 yes O14 H14A O4 2_766 0.85 1.90 2.709(3) 157.2 yes O14 H14B O16 . 0.85 1.82 2.661(3) 170.3 yes O15 H15A O7 2_656 0.85 2.04 2.840(3) 155.8 yes O15 H15B O11 1_655 0.85 1.92 2.762(3) 168.4 yes O16 H16A O7 2_666 0.85 2.06 2.885(3) 163.9 yes O16 H16B O1 1_566 0.85 2.04 2.878(4) 170.8 yes O17 H17A O10 2_656 0.85 2.05 2.774(4) 142.6 yes O17 H17B O14 2_656 0.85 1.92 2.717(4) 154.5 yes N1 H1A O3 2_655 0.90 2.16 2.969(3) 149.6 yes N1 H1B O13 2_656 0.90 2.41 3.141(3) 138.6 yes N2 H2A O17 2_546 0.90 2.00 2.736(5) 138.0 yes N2 H2B O17 . 0.90 2.14 2.919(5) 144.5 yes loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion_site_symmetry_1 _geom_torsion Zn1 O1 C1 O2 2_765 6.2(3) Zn1 O1 C1 C6 2_765 -169.4(3) Zn1 O2 C1 O1 2_765 -7.5(4) Zn1 O2 C1 C6 2_765 168.3(2) Zn1 O4 C2 O3 . -2.8(3) Zn1 O4 C2 C5 . 178.49(17) Zn2 O5 C3 O6 2_666 3.0(6) Zn2 O5 C3 C4 2_666 -178.3(3) Zn3 O6 C3 O5 . -9.9(5) Zn3 O6 C3 C4 . 171.37(19) O5 C3 C4 C9 . -135.2(3) O6 C3 C4 C9 . 43.7(3) O5 C3 C4 C5 . 43.2(4) O6 C3 C4 C5 . -137.9(3) C9 C4 C5 C6 . 0.0(4) C3 C4 C5 C6 . -178.5(2) C9 C4 C5 C2 . 176.8(2) C3 C4 C5 C2 . -1.6(4) O3 C2 C5 C4 . -100.9(3) O4 C2 C5 C4 . 77.9(3) O3 C2 C5 C6 . 76.0(3) O4 C2 C5 C6 . -105.3(3) C4 C5 C6 C7 . 2.8(4) C2 C5 C6 C7 . -174.0(2) C4 C5 C6 C1 . -172.7(2) C2 C5 C6 C1 . 10.5(4) O1 C1 C6 C7 . 27.3(4) O2 C1 C6 C7 . -148.4(3) Zn1 C1 C6 C7 2_765 -109.1(8) O1 C1 C6 C5 . -157.2(3) O2 C1 C6 C5 . 27.1(4) Zn1 C1 C6 C5 2_765 66.5(8) C5 C6 C7 C8 . -2.5(4) C1 C6 C7 C8 . 173.1(3) C6 C7 C8 C9 . -0.5(4) C6 C7 C8 N1 . -177.2(2) Zn1 N1 C8 C9 1_545 -93.3(3) Zn1 N1 C8 C7 1_545 83.5(3) C7 C8 C9 C4 . 3.3(4) N1 C8 C9 C4 . -180.0(2) C5 C4 C9 C8 . -3.0(4) C3 C4 C9 C8 . 175.4(2) Zn3 O8 C10 O7 . -23.9(4) Zn3 O8 C10 C15 . 154.11(18) Zn2 O10 C11 O9 . 114.2(2) Zn2 O10 C11 C14 . -62.8(3) Zn3 O9 C11 O10 2_666 2.0(3) Zn3 O9 C11 C14 2_666 179.13(17) Zn2 O12 C12 O11 . -172.8(2) Zn2 O12 C12 C13 . 12.5(5) Zn1 O11 C12 O12 2_666 -4.6(3) Zn1 O11 C12 C13 2_666 170.36(16) O12 C12 C13 C18 . 132.6(3) O11 C12 C13 C18 . -42.3(3) O12 C12 C13 C14 . -42.0(4) O11 C12 C13 C14 . 143.0(2) C18 C13 C14 C15 . 1.2(4) C12 C13 C14 C15 . 175.7(2) C18 C13 C14 C11 . 177.0(2) C12 C13 C14 C11 . -8.6(4) O10 C11 C14 C15 . -99.9(3) O9 C11 C14 C15 . 83.0(3) O10 C11 C14 C13 . 84.4(3) O9 C11 C14 C13 . -92.7(3) C13 C14 C15 C16 . -2.3(4) C11 C14 C15 C16 . -178.0(2) C13 C14 C15 C10 . -179.5(2) C11 C14 C15 C10 . 4.8(4) O7 C10 C15 C16 . 8.6(4) O8 C10 C15 C16 . -169.5(2) O7 C10 C15 C14 . -174.1(3) O8 C10 C15 C14 . 7.7(4) C14 C15 C16 C17 . 0.7(4) C10 C15 C16 C17 . 178.0(2) C15 C16 C17 C18 . 2.1(4) C15 C16 C17 N2 . -172.6(2) Zn3 N2 C17 C16 2_656 94.7(3) Zn3 N2 C17 C18 2_656 -80.0(3) C16 C17 C18 C13 . -3.1(4) N2 C17 C18 C13 . 171.6(2) C14 C13 C18 C17 . 1.5(4) C12 C13 C18 C17 . -173.3(2) _cod_database_fobs_code 2021708