#------------------------------------------------------------------------------ #$Date: 2021-10-01 01:16:56 +0300 (Fri, 01 Oct 2021) $ #$Revision: 269405 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/56/47/1564773.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_1564773 loop_ _publ_author_name 'Turner, Gemma F.' 'McKellar, Scott C.' 'Allan, David R.' 'Cheetham, Anthony K.' 'Henke, Sebastian' 'Moggach, Stephen A.' _publ_section_title ; Guest-mediated phase transitions in a flexible pillared-layered metal--organic framework under high-pressure ; _journal_name_full 'Chemical Science' _journal_paper_doi 10.1039/D1SC03108B _journal_year 2021 _chemical_formula_moiety '(C22 H20 N2 O8 Zn2)n. 4(C3H7NO)' _chemical_formula_sum 'C34 H48 N6 O12 Zn2' _chemical_formula_weight 863.55 _space_group_IT_number 140 _space_group_name_Hall '-I 4 2c' _space_group_name_H-M_alt 'I 4/m c m' _symmetry_cell_setting tetragonal _symmetry_space_group_name_Hall '-I 4 2c' _symmetry_space_group_name_H-M 'I 4/m c m' _atom_sites_solution_hydrogens difmap _atom_sites_solution_primary other _audit_creation_date 2021-05-26 _audit_creation_method CRYSTALS_ver_14.61_build_6999 _audit_update_record ; 2021-06-03 deposited with the CCDC. 2021-09-29 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 15.130(18) _cell_length_b 15.130(18) _cell_length_c 19.32(4) _cell_measurement_reflns_used 942 _cell_measurement_temperature 298 _cell_measurement_theta_max 17 _cell_measurement_theta_min 3 _cell_volume 4423(12) _computing_cell_refinement 'USER DEFINED CELL REFINEMENT' _computing_data_collection 'USER DEFINED DATA COLLECTION' _computing_data_reduction 'Apex2 (Bruker AXS, 2006)' _computing_molecular_graphics 'CAMERON (Watkin et al., 1996)' _computing_publication_material 'CRYSTALS (Betteridge et al., 2003)' _computing_structure_refinement 'CRYSTALS (Betteridge et al., 2003)' _computing_structure_solution 'Superflip (Palatinus & Chapuis, 2007)' _diffrn_ambient_pressure 100000 _diffrn_ambient_temperature 298 _diffrn_measured_fraction_theta_full 0.413 _diffrn_measured_fraction_theta_max 0.410 _diffrn_measurement_device Area _diffrn_measurement_device_type Synchrotron _diffrn_measurement_method \w _diffrn_radiation_monochromator 'focussing mirrors' _diffrn_radiation_type synchrotron _diffrn_radiation_wavelength 0.48590 _diffrn_reflns_av_R_equivalents 0.083 _diffrn_reflns_av_unetI/netI 0.108 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_l_max 9 _diffrn_reflns_limit_l_min -9 _diffrn_reflns_number 9425 _diffrn_reflns_theta_full 15.166 _diffrn_reflns_theta_max 17.235 _diffrn_reflns_theta_min 2.180 _diffrn_standards_interval_count 942 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 1.144 _exptl_absorpt_correction_T_max 0.94 _exptl_absorpt_correction_T_min 0.70 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS (Siemens, 1996)' _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 1.297 _exptl_crystal_density_meas ? _exptl_crystal_density_method 'not measured' _exptl_crystal_description plate _exptl_crystal_F_000 1800 _exptl_crystal_size_max 0.150 _exptl_crystal_size_mid 0.150 _exptl_crystal_size_min 0.050 _refine_diff_density_max 0.46 _refine_diff_density_min -0.37 _refine_ls_extinction_method None _refine_ls_goodness_of_fit_ref 1.0796 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 70 _refine_ls_number_reflns 428 _refine_ls_number_restraints 165 _refine_ls_R_factor_all 0.1881 _refine_ls_R_factor_gt 0.1787 _refine_ls_shift/su_max 0.0262173 _refine_ls_shift/su_mean 0.0007864 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details ; Method= Modified Sheldrick w=1/[\s^2^(F^2^) + ( 0.15P)^2^ +28.44P] ,where P=(max(Fo^2^,0) + 2Fc^2^)/3 ; _refine_ls_weighting_scheme calc _refine_ls_wR_factor_all 0.5600 _refine_ls_wR_factor_gt 0.5520 _refine_ls_wR_factor_ref 0.2287 _reflns_limit_h_max 13 _reflns_limit_h_min 0 _reflns_limit_k_max 18 _reflns_limit_k_min 2 _reflns_limit_l_max 9 _reflns_limit_l_min 0 _reflns_number_gt 386 _reflns_number_total 476 _reflns_threshold_expression I>2.0\s(I) _oxford_diffrn_Wilson_B_factor 1.77 _oxford_diffrn_Wilson_scale 855.88 _oxford_refine_ls_r_factor_ref 0.0864 _oxford_refine_ls_scale 0.444(6) _oxford_reflns_number_all 476 _iucr_refine_instructions_details ; # # Punched on 26/05/21 at 00:38:37 # #LIST 12 BLOCK CONT SCALE CONT ZN ( 1 ,X'S,U'S) UNTIL C ( 5 ) CONT C ( 10 ,X'S,U[ISO]) UNTIL C ( 11 ) CONT N ( 1 ,X'S,U'S) CONT N ( 10 ,X'S,U[ISO]) CONT O ( 1 ,X'S,U'S) CONT O ( 10 ,X'S,U[ISO]) RIDE C ( 3,X'S) H ( 32,X'S) REM TOO MANY H ATOMS ON C ( 4), - 4 RIDE C ( 4,X'S) H ( 52,X'S) H ( 41,X'S) H ( 42,X'S) H ( 51,X'S) RIDE C ( 5,X'S) RIDE C ( 10,X'S) H ( 101,X'S) RIDE C ( 11,X'S) H ( 111,X'S) H ( 112,X'S) H ( 113,X'S) END # # Punched on 26/05/21 at 00:38:37 # #LIST 16 PLANAR 0.01 C(4,-5,1,0,1,1) C(4) N(1) C(4,3,1,1,1) PLANAR 0.01 C(5,-8,1,0,0,1) C(5) N(1) C(5,3,1,1,1) DIST 1.499,.01= C(1) TO C(2) DIST 1.252,.01= C(1) TO O(1) DIST 1.252,.01= C(1) TO O(1,-3,1,0,0,1) DIST 1.375,.01= C(2) TO C(3) DIST 1.375,.01= C(2) TO C(3,-3,1,0,0,1) DIST 1.397,.01= C(3) TO C(3,8,2,1,1,-1) DIST 1.54,.01= C(4) TO C(4,-5,1,0,1,1) DIST 1.54,.01= C(5) TO C(5,-8,1,0,0,1) DIST 1.472,.01= C(4) TO N(1) DIST 1.459,.01= C(5) TO N(1) DIST 1.523,.01= C(10) TO N(10) DIST 1.248,.01= C(10) TO O(10) DIST 1.248,.01= C(10) TO O(10,8,2,1,1,-1) DIST 1.443,.01= C(11) TO N(10) ANGL 117,1= O(1) TO C(1) TO C(2) ANGL 117,1= O(1,-3,1,0,0,1) TO C(1) TO C(2) ANGL 125,1= O(1,-3,1,0,0,1) TO C(1) TO O(1) ANGL 120,1= C(3) TO C(2) TO C(1) ANGL 120,1= C(3,-3,1,0,0,1) TO C(2) TO C(1) ANGL 119,1= C(3,-3,1,0,0,1) TO C(2) TO C(3) ANGL 120,1= C(3,8,2,1,1,-1) TO C(3) TO C(2) ANGL 110,1= O(10) TO C(10) TO N(10) ANGL 110,1= O(10,8,2,1,1,-1) TO C(10) TO N(10) ANGL 140,1= O(10,8,2,1,1,-1) TO C(10) TO O(10) ANGL 122,1= C(11) TO N(10) TO C(10) ANGL 122,1= C(11,8,2,1,1,-1) TO N(10) TO C(10) ANGL 113,1= C(11,8,2,1,1,-1) TO N(10) TO C(11) REM HREST START (DO NOT REMOVE THIS LINE) REM HREST END (DO NOT REMOVE THIS LINE) DISTANCE 2.060000 , 0.050000 = ZN(1) TO N(1) REM DELU START (DO NOT REMOVE THIS LINE) VIBR .0, 0.00200 = C(1) TO O(1,-3,1,0,0,1) VIBR .0, 0.00200 = C(1) TO C(2) VIBR .0, 0.00200 = C(1) TO O(1) VIBR .0, 0.00500 = C(2) TO O(1,-3,1,0,0,1) VIBR .0, 0.00500 = O(1) TO O(1,-3,1,0,0,1) VIBR .0, 0.00500 = O(1) TO C(2) VIBR .0, 0.00200 = C(2) TO C(3,-3,1,0,0,1) VIBR .0, 0.00200 = C(2) TO C(3) VIBR .0, 0.00500 = C(3,-3,1,0,0,1) TO C(1) VIBR .0, 0.00500 = C(3) TO C(1) VIBR .0, 0.00500 = C(3) TO C(3,-3,1,0,0,1) VIBR .0, 0.00200 = C(3) TO C(3,8,2,1,1,-1) VIBR .0, 0.00500 = C(2) TO C(3,8,2,1,1,-1) VIBR .0, 0.00200 = C(4) TO C(4,-5,1,0,1,1) VIBR .0, 0.00200 = C(4) TO N(1) VIBR .0, 0.00500 = N(1) TO C(4,-5,1,0,1,1) VIBR .0, 0.00200 = C(5) TO C(5,-8,1,0,0,1) VIBR .0, 0.00200 = C(5) TO C(5,-5,1,0,1,1) VIBR .0, 0.00200 = C(5) TO C(5,4,1,0,1) VIBR .0, 0.00200 = C(5) TO C(5,2,1,1) VIBR .0, 0.00200 = C(5) TO N(1) VIBR .0, 0.00500 = C(5,-5,1,0,1,1) TO C(5,-8,1,0,0,1) VIBR .0, 0.00500 = C(5,4,1,0,1) TO C(5,-8,1,0,0,1) VIBR .0, 0.00500 = C(5,4,1,0,1) TO C(5,-5,1,0,1,1) VIBR .0, 0.00500 = C(5,2,1,1) TO C(5,-8,1,0,0,1) VIBR .0, 0.00500 = C(5,2,1,1) TO C(5,-5,1,0,1,1) VIBR .0, 0.00500 = C(5,2,1,1) TO C(5,4,1,0,1) VIBR .0, 0.00500 = N(1) TO C(5,-8,1,0,0,1) VIBR .0, 0.00500 = N(1) TO C(5,-5,1,0,1,1) VIBR .0, 0.00500 = N(1) TO C(5,4,1,0,1) VIBR .0, 0.00500 = N(1) TO C(5,2,1,1) VIBR .0, 0.00200 = C(10) TO O(10,8,2,1,1,-1) VIBR .0, 0.00200 = C(10) TO N(10) VIBR .0, 0.00200 = C(10) TO O(10) VIBR .0, 0.00500 = N(10) TO O(10,8,2,1,1,-1) VIBR .0, 0.00500 = O(10) TO O(10,8,2,1,1,-1) VIBR .0, 0.00500 = O(10) TO N(10) VIBR .0, 0.00200 = C(11) TO N(10) VIBR .0, 0.00500 = C(4,2,1,1) TO C(4) VIBR .0, 0.00500 = C(4,3,1,1,1) TO C(4) VIBR .0, 0.00500 = C(4,3,1,1,1) TO C(4,2,1,1) VIBR .0, 0.00500 = C(4,4,1,0,1) TO C(4) VIBR .0, 0.00500 = C(4,4,1,0,1) TO C(4,2,1,1) VIBR .0, 0.00500 = C(4,4,1,0,1) TO C(4,3,1,1,1) VIBR .0, 0.00500 = C(5,4,1,0,1) TO C(4) VIBR .0, 0.00500 = C(5,4,1,0,1) TO C(4,2,1,1) VIBR .0, 0.00500 = C(5,4,1,0,1) TO C(4,3,1,1,1) VIBR .0, 0.00500 = C(5,4,1,0,1) TO C(4,4,1,0,1) VIBR .0, 0.00500 = C(5,2,1,1) TO C(4) VIBR .0, 0.00500 = C(5,2,1,1) TO C(4,2,1,1) VIBR .0, 0.00500 = C(5,2,1,1) TO C(4,3,1,1,1) VIBR .0, 0.00500 = C(5,2,1,1) TO C(4,4,1,0,1) VIBR .0, 0.00500 = C(5,2,1,1) TO C(5,4,1,0,1) VIBR .0, 0.00500 = C(5,3,1,1,1) TO C(4) VIBR .0, 0.00500 = C(5,3,1,1,1) TO C(4,2,1,1) VIBR .0, 0.00500 = C(5,3,1,1,1) TO C(4,3,1,1,1) VIBR .0, 0.00500 = C(5,3,1,1,1) TO C(4,4,1,0,1) VIBR .0, 0.00500 = C(5,3,1,1,1) TO C(5,4,1,0,1) VIBR .0, 0.00500 = C(5,3,1,1,1) TO C(5,2,1,1) VIBR .0, 0.00500 = C(5) TO C(4) VIBR .0, 0.00500 = C(5) TO C(4,2,1,1) VIBR .0, 0.00500 = C(5) TO C(4,3,1,1,1) VIBR .0, 0.00500 = C(5) TO C(4,4,1,0,1) VIBR .0, 0.00500 = C(5) TO C(5,4,1,0,1) VIBR .0, 0.00500 = C(5) TO C(5,2,1,1) VIBR .0, 0.00500 = C(5) TO C(5,3,1,1,1) VIBR .0, 0.00500 = C(11,8,2,1,1,-1) TO C(10) VIBR .0, 0.00500 = C(11) TO C(10) VIBR .0, 0.00500 = C(11) TO C(11,8,2,1,1,-1) REM DELU END (DO NOT REMOVE THIS LINE) REM THERMSIM START (DO NOT REMOVE THIS LINE) U(IJ) .0, 0.04000 = C(1) TO O(1,-3,1,0,0,1) U(IJ) .0, 0.04000 = C(1) TO C(2) U(IJ) .0, 0.04000 = C(1) TO O(1) U(IJ) .0, 0.04000 = C(2) TO C(3,-3,1,0,0,1) U(IJ) .0, 0.04000 = C(2) TO C(3) U(IJ) .0, 0.04000 = C(3) TO C(3,8,2,1,1,-1) U(IJ) .0, 0.04000 = C(4) TO C(4,-5,1,0,1,1) U(IJ) .0, 0.04000 = C(4) TO N(1) U(IJ) .0, 0.04000 = C(5) TO C(5,-8,1,0,0,1) U(IJ) .0, 0.04000 = C(5) TO C(5,-5,1,0,1,1) U(IJ) .0, 0.04000 = C(5) TO C(5,4,1,0,1) U(IJ) .0, 0.04000 = C(5) TO C(5,2,1,1) U(IJ) .0, 0.04000 = C(5) TO N(1) U(IJ) .0, 0.04000 = C(10) TO O(10,8,2,1,1,-1) U(IJ) .0, 0.04000 = C(10) TO N(10) U(IJ) .0, 0.04000 = C(10) TO O(10) U(IJ) .0, 0.04000 = C(11) TO N(10) REM THERMSIM END (DO NOT REMOVE THIS LINE) END ; _cod_data_source_file d1sc03108b2.cif _cod_data_source_block 2_FC70_010GPa _cod_depositor_comments ; The following automatic conversions were performed: data item '_exptl_crystal_density_meas' value 'not measured' was changed to '?' -- the value is perceived as not measured. Automatic conversion script Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas ; _cod_original_cell_volume 4423(14) _cod_original_sg_symbol_H-M 'I 4/m c m ' _cod_database_code 1564773 _oxford_refine_reflns_threshold_expression_ref I>-10.0\s(I) _iucr_refine_reflections_details ; # Data was input as F-squared # punching LIST 6 as LIST 6 with all keys set # NBGNXT= 36 #LIST 6 READ NCOEF= 8 TYPE=FIX, F'S = FSQ UNIT=DATA, CHECK=NO L30=NO ARCH=NO STORE NCOEF= 6 OUTPUT INDICES /FO/ SIGMA(/FO/) RATIO/JCODE CORRECTIONS SERIAL CONT INPUT H K L /FO/ SIGMA(/FO/) JCODE CONT CORRECTIONS SERIAL FOR (I4,I4,I4,F10.2,F8.2,F4.0,F7.4,F7.0) END 0 -4 0 79.87 5.51 0. 1.0000 0. 0 4 0 68.54 5.49 0. 1.0000 0. 4 0 0 78.07 5.42 0. 1.0000 0. -4 0 0 78.21 5.41 0. 1.0000 0. 0 -4 0 71.65 5.65 0. 1.0000 0. 0 4 0 79.82 5.70 0. 1.0000 0. 0 -4 0 73.31 5.50 0. 1.0000 0. 0 4 0 82.07 5.54 0. 1.0000 0. 0 -4 0 82.71 5.53 0. 1.0000 0. 0 4 0 75.76 5.42 0. 1.0000 0. -4 0 0 89.22 5.59 0. 1.0000 0. -4 0 0 75.48 5.44 0. 1.0000 0. -4 0 0 85.28 5.55 0. 1.0000 0. 4 0 0 78.43 5.53 0. 1.0000 0. 0 -4 0 82.77 5.45 0. 1.0000 0. 4 -4 0 223.61 16.53 0. 1.0000 0. -4 -4 0 271.28 16.65 0. 1.0000 0. 4 4 0 234.89 16.62 0. 1.0000 0. 4 4 0 244.74 16.67 0. 1.0000 0. 4 4 0 223.91 16.59 0. 1.0000 0. -4 4 0 266.23 16.68 0. 1.0000 0. 4 4 0 229.60 16.63 0. 1.0000 0. 1 5 0 114.68 7.92 0. 1.0000 0. -5 -1 0 115.21 7.89 0. 1.0000 0. 1 -5 0 112.86 8.14 0. 1.0000 0. -1 -5 0 107.30 7.86 0. 1.0000 0. -1 -5 0 104.45 7.88 0. 1.0000 0. -1 -5 0 110.35 7.72 0. 1.0000 0. -5 -1 0 110.31 7.78 0. 1.0000 0. -1 5 0 127.95 8.14 0. 1.0000 0. -1 -5 0 121.74 7.85 0. 1.0000 0. 1 5 0 108.85 7.81 0. 1.0000 0. 5 -1 0 103.24 7.84 0. 1.0000 0. -1 -5 0 105.49 7.85 0. 1.0000 0. 1 -5 0 103.02 7.82 0. 1.0000 0. -1 5 0 113.13 7.85 0. 1.0000 0. -5 -1 0 105.90 7.80 0. 1.0000 0. -5 1 0 112.53 7.76 0. 1.0000 0. -5 1 0 125.99 7.91 0. 1.0000 0. 5 -1 0 118.62 7.89 0. 1.0000 0. 1 -5 0 117.80 7.84 0. 1.0000 0. 1 -5 0 108.84 7.85 0. 1.0000 0. -5 1 0 132.03 7.91 0. 1.0000 0. 5 1 0 113.69 7.80 0. 1.0000 0. -1 -5 0 107.46 8.15 0. 1.0000 0. -5 -1 0 118.10 7.96 0. 1.0000 0. 5 1 0 98.07 7.87 0. 1.0000 0. 5 1 0 114.41 7.90 0. 1.0000 0. -5 -1 0 110.00 7.77 0. 1.0000 0. 0 6 0 403.89 27.68 0. 1.0000 0. -6 -2 0 674.44 45.89 0. 1.0000 0. 6 -6 0 122.49 9.13 0. 1.0000 0. 6 -6 0 136.69 10.08 0. 1.0000 0. -6 -6 0 144.51 9.87 0. 1.0000 0. 6 -6 0 143.78 9.38 0. 1.0000 0. 6 -6 0 124.10 9.14 0. 1.0000 0. 6 6 0 113.17 9.51 0. 1.0000 0. 6 -6 0 151.00 9.39 0. 1.0000 0. -6 -6 0 133.14 9.58 0. 1.0000 0. -6 -6 0 120.38 9.27 0. 1.0000 0. 6 6 0 126.33 9.40 0. 1.0000 0. 6 -6 0 134.89 9.19 0. 1.0000 0. -6 -6 0 146.96 9.50 0. 1.0000 0. 7 -7 0 103.83 6.80 0. 1.0000 0. 7 -7 0 98.15 7.01 0. 1.0000 0. -7 -7 0 92.74 7.70 0. 1.0000 0. -7 -7 0 94.50 6.87 0. 1.0000 0. 7 7 0 94.02 7.09 0. 1.0000 0. -7 -7 0 92.80 7.07 0. 1.0000 0. 7 -7 0 101.73 6.96 0. 1.0000 0. 7 -7 0 93.88 7.99 0. 1.0000 0. -7 -7 0 88.64 7.25 0. 1.0000 0. 7 7 0 83.24 7.22 0. 1.0000 0. -7 -7 0 98.85 7.15 0. 1.0000 0. 7 -7 0 93.90 6.70 0. 1.0000 0. 6 8 0 274.73 19.09 0. 1.0000 0. -8 -8 0 76.83 7.09 0. 1.0000 0. -8 -8 0 93.69 7.28 0. 1.0000 0. 8 -8 0 95.04 8.40 0. 1.0000 0. 8 8 0 93.79 7.27 0. 1.0000 0. 8 -8 0 101.96 7.00 0. 1.0000 0. -8 -8 0 97.05 6.90 0. 1.0000 0. 8 8 0 90.72 7.41 0. 1.0000 0. 8 -8 0 101.70 7.06 0. 1.0000 0. -8 -8 0 100.13 7.22 0. 1.0000 0. -8 -8 0 83.44 7.99 0. 1.0000 0. 1 -9 0 412.42 28.34 0. 1.0000 0. 3 -9 0 705.10 48.10 0. 1.0000 0. 5 -9 0 536.73 36.52 0. 1.0000 0. -5 -9 0 531.02 36.58 0. 1.0000 0. -9 7 0 172.84 10.80 0. 1.0000 0. -7 -9 0 156.44 11.27 0. 1.0000 0. -9 -7 0 148.63 10.94 0. 1.0000 0. -7 -9 0 152.06 11.88 0. 1.0000 0. 7 -9 0 164.01 10.96 0. 1.0000 0. 9 7 0 152.79 11.25 0. 1.0000 0. 7 -9 0 166.08 11.21 0. 1.0000 0. 7 -9 0 157.44 10.87 0. 1.0000 0. 9 -7 0 139.88 10.81 0. 1.0000 0. -9 -7 0 152.82 11.13 0. 1.0000 0. 7 -9 0 167.42 10.94 0. 1.0000 0. -7 -9 0 151.73 11.33 0. 1.0000 0. -7 -9 0 164.80 11.35 0. 1.0000 0. -7 -9 0 156.85 10.97 0. 1.0000 0. -9 -7 0 144.07 11.30 0. 1.0000 0. 9 7 0 139.77 11.36 0. 1.0000 0. 7 9 0 144.76 11.12 0. 1.0000 0. 9 -7 0 159.11 11.97 0. 1.0000 0. 9 -7 0 171.44 11.08 0. 1.0000 0. -9 -7 0 151.87 11.65 0. 1.0000 0. 7 9 0 140.34 11.32 0. 1.0000 0. 9 -7 0 166.01 11.14 0. 1.0000 0. -9 -7 0 149.55 11.22 0. 1.0000 0. 7 -9 0 159.18 12.26 0. 1.0000 0. -9 -9 0 110.82 8.52 0. 1.0000 0. -9 -9 0 108.75 8.44 0. 1.0000 0. -9 -9 0 112.37 9.31 0. 1.0000 0. 9 -9 0 111.63 8.37 0. 1.0000 0. -9 -9 0 107.40 8.16 0. 1.0000 0. 9 -9 0 113.38 9.47 0. 1.0000 0. 9 9 0 110.57 8.83 0. 1.0000 0. -9 -9 0 111.88 8.59 0. 1.0000 0. 9 -9 0 114.93 8.16 0. 1.0000 0. 9 9 0 110.78 8.47 0. 1.0000 0. 0 -10 0 118.53 9.78 0. 1.0000 0. 0 -10 0 116.07 8.71 0. 1.0000 0. 10 0 0 100.20 8.72 0. 1.0000 0. 10 0 0 119.98 8.78 0. 1.0000 0. 0 10 0 122.95 8.42 0. 1.0000 0. -10 0 0 113.70 8.35 0. 1.0000 0. 0 -10 0 119.46 8.17 0. 1.0000 0. -10 0 0 121.60 8.39 0. 1.0000 0. 0 -10 0 126.64 8.62 0. 1.0000 0. 10 4 0 458.95 32.28 0. 1.0000 0. 4 -10 0 487.39 32.22 0. 1.0000 0. -4 -10 0 477.43 32.24 0. 1.0000 0. -4 -10 0 516.52 32.30 0. 1.0000 0. -4 -10 0 463.14 32.27 0. 1.0000 0. 10 4 0 412.78 32.21 0. 1.0000 0. -6 -10 0 244.19 18.40 0. 1.0000 0. 10 -6 0 249.38 18.15 0. 1.0000 0. -6 -10 0 281.80 19.07 0. 1.0000 0. -10 -6 0 258.85 18.42 0. 1.0000 0. 6 -10 0 270.73 18.34 0. 1.0000 0. -10 -6 0 247.31 18.37 0. 1.0000 0. -10 -6 0 260.77 18.14 0. 1.0000 0. 10 6 0 247.99 18.37 0. 1.0000 0. 6 -10 0 274.01 19.24 0. 1.0000 0. -6 -10 0 257.57 18.01 0. 1.0000 0. -6 -10 0 268.01 18.40 0. 1.0000 0. -10 -6 0 233.74 18.03 0. 1.0000 0. 6 10 0 274.29 18.51 0. 1.0000 0. 10 -6 0 282.81 18.73 0. 1.0000 0. 10 6 0 238.02 18.40 0. 1.0000 0. -10 6 0 259.89 17.86 0. 1.0000 0. 10 -6 0 255.12 18.27 0. 1.0000 0. -10 -6 0 255.57 18.29 0. 1.0000 0. 6 10 0 241.91 18.06 0. 1.0000 0. 6 -10 0 273.54 18.08 0. 1.0000 0. 6 -10 0 276.97 18.18 0. 1.0000 0. 10 -8 0 152.42 11.46 0. 1.0000 0. 10 -8 0 130.17 10.10 0. 1.0000 0. -8 -10 0 149.67 10.65 0. 1.0000 0. -8 -10 0 140.52 10.63 0. 1.0000 0. 10 -8 0 147.32 10.42 0. 1.0000 0. 8 -10 0 145.72 10.45 0. 1.0000 0. 10 8 0 141.50 10.87 0. 1.0000 0. -10 -8 0 137.32 10.53 0. 1.0000 0. -10 -8 0 136.09 10.21 0. 1.0000 0. 8 -10 0 144.17 11.59 0. 1.0000 0. -10 -8 0 145.19 10.39 0. 1.0000 0. 8 -10 0 150.80 10.28 0. 1.0000 0. -8 -10 0 143.07 10.53 0. 1.0000 0. 8 10 0 137.25 10.78 0. 1.0000 0. -8 -10 0 145.06 10.24 0. 1.0000 0. -10 -8 0 149.61 10.73 0. 1.0000 0. 10 8 0 140.06 10.60 0. 1.0000 0. 10 -8 0 153.85 10.33 0. 1.0000 0. 8 -10 0 157.09 10.32 0. 1.0000 0. -10 -8 0 135.69 10.97 0. 1.0000 0. 8 10 0 129.86 10.39 0. 1.0000 0. -8 -10 0 135.45 11.36 0. 1.0000 0. -10 -10 0 118.84 9.26 0. 1.0000 0. 10 10 0 108.42 8.91 0. 1.0000 0. 10 -10 0 124.92 8.65 0. 1.0000 0. 10 10 0 122.95 9.52 0. 1.0000 0. -10 -10 0 111.31 8.93 0. 1.0000 0. -10 -10 0 121.22 10.16 0. 1.0000 0. -10 -10 0 113.57 8.56 0. 1.0000 0. -10 -10 0 107.57 8.81 0. 1.0000 0. 10 -10 0 122.47 9.01 0. 1.0000 0. 10 -10 0 120.75 10.40 0. 1.0000 0. -1 -11 0 200.49 15.25 0. 1.0000 0. 1 -11 0 196.41 14.47 0. 1.0000 0. 1 -11 0 214.23 14.49 0. 1.0000 0. -1 -11 0 199.83 14.53 0. 1.0000 0. 1 -11 0 195.55 13.97 0. 1.0000 0. 11 -1 0 173.88 14.53 0. 1.0000 0. -11 -1 0 209.37 14.26 0. 1.0000 0. 11 1 0 236.30 14.08 0. 1.0000 0. -11 1 0 211.18 14.26 0. 1.0000 0. -1 -11 0 227.57 14.59 0. 1.0000 0. -1 -11 0 185.41 14.05 0. 1.0000 0. 1 11 0 216.26 14.28 0. 1.0000 0. -11 -1 0 198.47 14.20 0. 1.0000 0. 1 -11 0 189.71 15.23 0. 1.0000 0. -11 -1 0 214.58 14.31 0. 1.0000 0. 11 1 0 205.87 14.54 0. 1.0000 0. 11 1 0 180.07 14.52 0. 1.0000 0. 11 -1 0 207.73 14.55 0. 1.0000 0. -1 11 0 208.76 14.07 0. 1.0000 0. 1 -11 0 201.60 14.51 0. 1.0000 0. -1 -11 0 214.33 14.51 0. 1.0000 0. 3 11 0 288.26 18.74 0. 1.0000 0. 11 3 0 231.17 18.71 0. 1.0000 0. -11 -3 0 289.69 18.61 0. 1.0000 0. -3 -11 0 270.22 18.67 0. 1.0000 0. 3 -11 0 261.88 19.18 0. 1.0000 0. 11 3 0 259.02 18.71 0. 1.0000 0. -11 -3 0 260.49 18.43 0. 1.0000 0. 3 -11 0 276.31 18.70 0. 1.0000 0. -3 -11 0 256.76 18.71 0. 1.0000 0. -3 -11 0 273.56 18.69 0. 1.0000 0. -3 -11 0 265.69 18.32 0. 1.0000 0. 5 -11 0 288.96 20.67 0. 1.0000 0. -5 -11 0 289.19 20.17 0. 1.0000 0. -11 5 0 314.34 19.86 0. 1.0000 0. -11 -5 0 288.09 20.10 0. 1.0000 0. 5 -11 0 277.10 20.15 0. 1.0000 0. 5 -11 0 295.68 19.99 0. 1.0000 0. 5 11 0 312.90 20.29 0. 1.0000 0. 5 11 0 278.34 19.91 0. 1.0000 0. -11 -5 0 290.27 19.96 0. 1.0000 0. 11 -5 0 290.71 20.15 0. 1.0000 0. -11 -5 0 285.57 19.94 0. 1.0000 0. -5 -11 0 272.08 20.20 0. 1.0000 0. -11 -5 0 307.39 20.23 0. 1.0000 0. 11 5 0 275.39 20.17 0. 1.0000 0. -5 -11 0 281.53 20.22 0. 1.0000 0. 5 -11 0 297.15 20.08 0. 1.0000 0. 11 -5 0 281.18 20.05 0. 1.0000 0. -5 -11 0 289.17 20.72 0. 1.0000 0. -5 -11 0 298.25 19.88 0. 1.0000 0. 11 5 0 255.64 20.19 0. 1.0000 0. -7 -11 0 268.26 19.22 0. 1.0000 0. -11 -7 0 277.78 18.60 0. 1.0000 0. 11 -7 0 280.61 18.62 0. 1.0000 0. 11 -7 0 236.85 18.27 0. 1.0000 0. -11 -7 0 267.91 18.72 0. 1.0000 0. 7 -11 0 267.19 18.35 0. 1.0000 0. 11 -7 0 285.04 19.07 0. 1.0000 0. -11 -7 0 262.15 18.68 0. 1.0000 0. -11 -7 0 263.71 18.38 0. 1.0000 0. -11 -7 0 262.84 18.48 0. 1.0000 0. 7 11 0 237.10 18.40 0. 1.0000 0. 11 7 0 259.51 18.72 0. 1.0000 0. -11 7 0 279.47 18.21 0. 1.0000 0. 7 -11 0 274.23 19.38 0. 1.0000 0. -7 -11 0 254.73 18.33 0. 1.0000 0. -7 -11 0 249.02 18.58 0. 1.0000 0. 7 -11 0 275.02 18.42 0. 1.0000 0. 11 7 0 254.00 18.83 0. 1.0000 0. 7 11 0 258.09 18.80 0. 1.0000 0. -7 -11 0 273.81 18.67 0. 1.0000 0. 7 -11 0 282.87 18.60 0. 1.0000 0. -7 -11 0 252.97 18.66 0. 1.0000 0. 9 11 0 81.01 7.65 0. 1.0000 0. 11 -9 0 100.60 6.94 0. 1.0000 0. -9 -11 0 85.97 7.22 0. 1.0000 0. 9 11 0 80.29 6.90 0. 1.0000 0. -11 -9 0 79.78 7.02 0. 1.0000 0. 11 9 0 83.91 7.67 0. 1.0000 0. 11 -9 0 90.36 8.55 0. 1.0000 0. -11 -9 0 90.04 7.93 0. 1.0000 0. -11 -9 0 82.18 6.99 0. 1.0000 0. -11 -9 0 76.84 7.28 0. 1.0000 0. 11 9 0 78.02 7.03 0. 1.0000 0. -9 -11 0 77.58 6.96 0. 1.0000 0. -9 -11 0 91.19 7.11 0. 1.0000 0. 9 -11 0 93.15 8.79 0. 1.0000 0. -11 -9 0 85.18 6.65 0. 1.0000 0. 9 -11 0 93.90 6.72 0. 1.0000 0. 11 -9 0 78.54 6.66 0. 1.0000 0. -9 -11 0 97.88 8.59 0. 1.0000 0. -9 -11 0 80.55 6.50 0. 1.0000 0. 9 -11 0 87.11 7.06 0. 1.0000 0. -11 -11 0 133.57 10.60 0. 1.0000 0. 11 -11 0 146.82 10.27 0. 1.0000 0. 11 11 0 135.22 10.42 0. 1.0000 0. -11 -11 0 127.57 9.93 0. 1.0000 0. -11 -11 0 139.23 11.47 0. 1.0000 0. 11 -11 0 150.15 10.36 0. 1.0000 0. -11 -11 0 138.80 10.43 0. 1.0000 0. -11 -11 0 136.75 10.46 0. 1.0000 0. 11 -11 0 132.86 11.76 0. 1.0000 0. 11 11 0 129.49 11.02 0. 1.0000 0. -12 0 0 321.31 24.89 0. 1.0000 0. 0 -12 0 405.53 25.69 0. 1.0000 0. -12 -2 0 123.52 8.89 0. 1.0000 0. 2 -12 0 128.84 9.16 0. 1.0000 0. -2 -12 0 108.99 9.06 0. 1.0000 0. -12 -2 0 111.96 8.64 0. 1.0000 0. 2 -12 0 119.16 9.15 0. 1.0000 0. -2 -12 0 124.68 9.13 0. 1.0000 0. 12 -2 0 122.68 9.21 0. 1.0000 0. 12 2 0 117.00 9.15 0. 1.0000 0. -12 -2 0 117.56 8.69 0. 1.0000 0. -2 -12 0 121.53 8.52 0. 1.0000 0. 12 2 0 104.11 9.19 0. 1.0000 0. 2 -12 0 112.76 10.22 0. 1.0000 0. -12 2 0 119.17 8.66 0. 1.0000 0. -2 -12 0 124.08 9.03 0. 1.0000 0. 12 -2 0 112.65 9.34 0. 1.0000 0. 2 -12 0 143.61 9.12 0. 1.0000 0. -2 -12 0 120.44 10.23 0. 1.0000 0. 12 4 0 242.18 16.73 0. 1.0000 0. -4 -12 0 244.59 16.25 0. 1.0000 0. -4 -12 0 244.08 16.67 0. 1.0000 0. 4 -12 0 228.04 16.62 0. 1.0000 0. -4 -12 0 229.48 16.67 0. 1.0000 0. 12 -4 0 208.83 16.49 0. 1.0000 0. 12 -4 0 251.94 16.73 0. 1.0000 0. -4 -12 0 239.99 17.42 0. 1.0000 0. 4 12 0 250.01 16.72 0. 1.0000 0. 12 -4 0 248.13 16.73 0. 1.0000 0. 4 -12 0 241.90 16.59 0. 1.0000 0. 4 -12 0 229.45 16.51 0. 1.0000 0. -12 -4 0 232.76 16.37 0. 1.0000 0. -12 4 0 242.94 16.29 0. 1.0000 0. 12 4 0 202.65 16.78 0. 1.0000 0. -4 -12 0 220.43 16.61 0. 1.0000 0. -12 -4 0 238.04 16.54 0. 1.0000 0. 4 -12 0 231.05 17.48 0. 1.0000 0. -12 -6 0 965.03 63.10 0. 1.0000 0. -6 -12 0 809.98 62.77 0. 1.0000 0. 6 -12 0 987.08 63.02 0. 1.0000 0. 6 12 0 951.12 62.89 0. 1.0000 0. 12 -6 0 950.85 63.35 0. 1.0000 0. 6 -12 0 800.81 63.03 0. 1.0000 0. -12 6 0 1000.00 62.78 0. 1.0000 0. 12 -8 0 142.84 10.85 0. 1.0000 0. 8 12 0 121.89 10.00 0. 1.0000 0. -8 -12 0 123.03 10.36 0. 1.0000 0. 12 -8 0 130.01 9.42 0. 1.0000 0. -8 -12 0 102.81 9.59 0. 1.0000 0. 8 -12 0 133.96 9.28 0. 1.0000 0. -8 -12 0 123.12 8.96 0. 1.0000 0. -12 -8 0 131.89 9.13 0. 1.0000 0. 8 -12 0 133.66 10.88 0. 1.0000 0. 8 -12 0 129.26 9.39 0. 1.0000 0. 12 8 0 121.15 9.64 0. 1.0000 0. -12 -8 0 133.35 9.62 0. 1.0000 0. 12 8 0 112.06 10.02 0. 1.0000 0. 12 -8 0 117.72 9.01 0. 1.0000 0. -12 -8 0 129.02 9.88 0. 1.0000 0. -8 -12 0 122.31 9.50 0. 1.0000 0. 8 12 0 112.91 9.28 0. 1.0000 0. -12 -8 0 123.19 9.42 0. 1.0000 0. -12 -8 0 121.74 9.48 0. 1.0000 0. -8 -12 0 124.68 9.53 0. 1.0000 0. 12 -10 0 102.36 9.56 0. 1.0000 0. 10 -12 0 97.20 7.99 0. 1.0000 0. 10 12 0 88.95 8.50 0. 1.0000 0. -12 -10 0 98.43 7.36 0. 1.0000 0. -12 -10 0 89.28 7.74 0. 1.0000 0. 10 12 0 91.09 7.71 0. 1.0000 0. -12 -10 0 97.54 9.09 0. 1.0000 0. 10 -12 0 106.35 9.57 0. 1.0000 0. -10 -12 0 93.19 7.24 0. 1.0000 0. 12 -10 0 92.72 7.44 0. 1.0000 0. -10 -12 0 85.93 7.70 0. 1.0000 0. 12 10 0 99.30 8.47 0. 1.0000 0. 12 10 0 97.88 7.87 0. 1.0000 0. -12 -10 0 102.56 7.97 0. 1.0000 0. -10 -12 0 96.11 9.61 0. 1.0000 0. -10 -12 0 96.06 8.04 0. 1.0000 0. -10 -12 0 95.68 7.68 0. 1.0000 0. 12 12 0 73.54 6.82 0. 1.0000 0. 13 -1 0 145.94 12.07 0. 1.0000 0. -1 -13 0 155.98 11.23 0. 1.0000 0. 1 -13 0 158.15 12.96 0. 1.0000 0. -1 -13 0 149.32 13.04 0. 1.0000 0. 1 -13 0 180.18 11.88 0. 1.0000 0. -1 -13 0 132.81 11.89 0. 1.0000 0. -13 -1 0 156.91 11.60 0. 1.0000 0. 1 -13 0 150.41 11.88 0. 1.0000 0. 13 -1 0 170.27 11.99 0. 1.0000 0. -1 13 0 175.30 11.33 0. 1.0000 0. -13 1 0 175.54 11.53 0. 1.0000 0. 1 13 0 166.14 11.61 0. 1.0000 0. -1 -13 0 173.05 11.91 0. 1.0000 0. 1 -13 0 163.38 11.95 0. 1.0000 0. -1 -13 0 166.96 11.89 0. 1.0000 0. 13 1 0 161.02 11.95 0. 1.0000 0. -3 -13 0 173.43 13.45 0. 1.0000 0. -3 -13 0 187.62 13.43 0. 1.0000 0. -13 3 0 189.74 12.91 0. 1.0000 0. 13 -3 0 206.26 13.52 0. 1.0000 0. 13 3 0 164.82 13.39 0. 1.0000 0. 3 13 0 175.89 13.27 0. 1.0000 0. -3 -13 0 183.79 13.37 0. 1.0000 0. 3 -13 0 199.25 13.55 0. 1.0000 0. 3 -13 0 177.55 14.56 0. 1.0000 0. -3 -13 0 172.14 12.78 0. 1.0000 0. 5 -13 0 118.18 8.65 0. 1.0000 0. -13 -5 0 107.39 8.59 0. 1.0000 0. 13 5 0 112.52 9.20 0. 1.0000 0. -13 5 0 114.27 8.22 0. 1.0000 0. -13 -5 0 112.26 8.40 0. 1.0000 0. -5 -13 0 104.37 8.09 0. 1.0000 0. 5 -13 0 111.89 8.75 0. 1.0000 0. -5 -13 0 106.66 8.82 0. 1.0000 0. 13 -5 0 116.74 8.76 0. 1.0000 0. 5 -13 0 108.32 10.29 0. 1.0000 0. 5 13 0 120.71 8.90 0. 1.0000 0. -5 -13 0 109.93 8.71 0. 1.0000 0. 13 -5 0 103.75 9.24 0. 1.0000 0. 13 5 0 112.11 8.91 0. 1.0000 0. -5 -13 0 111.39 10.04 0. 1.0000 0. -5 -13 0 117.65 8.80 0. 1.0000 0. -13 -5 0 110.58 8.26 0. 1.0000 0. 13 -5 0 105.25 8.73 0. 1.0000 0. 5 -13 0 117.50 8.58 0. 1.0000 0. 7 -13 0 126.52 9.41 0. 1.0000 0. 7 13 0 124.60 9.81 0. 1.0000 0. 13 -7 0 120.10 9.39 0. 1.0000 0. 7 -13 0 121.18 9.21 0. 1.0000 0. -13 -7 0 132.26 9.34 0. 1.0000 0. -13 -7 0 116.53 9.39 0. 1.0000 0. -13 7 0 122.94 8.97 0. 1.0000 0. -7 -13 0 123.93 9.40 0. 1.0000 0. -13 -7 0 127.13 9.19 0. 1.0000 0. -7 -13 0 131.90 9.57 0. 1.0000 0. 13 7 0 124.83 10.07 0. 1.0000 0. -7 -13 0 103.10 9.59 0. 1.0000 0. 13 -7 0 109.33 8.97 0. 1.0000 0. 7 -13 0 128.62 9.28 0. 1.0000 0. 13 -7 0 133.10 10.15 0. 1.0000 0. -7 -13 0 126.96 10.81 0. 1.0000 0. -13 -7 0 116.05 9.27 0. 1.0000 0. 7 13 0 112.99 9.45 0. 1.0000 0. -7 -13 0 129.14 9.03 0. 1.0000 0. 13 7 0 122.31 9.63 0. 1.0000 0. 7 -13 0 147.62 10.97 0. 1.0000 0. -9 -13 0 102.11 8.59 0. 1.0000 0. -9 -13 0 97.89 8.39 0. 1.0000 0. -13 -9 0 108.54 8.11 0. 1.0000 0. 9 -13 0 116.69 8.74 0. 1.0000 0. -9 -13 0 103.69 8.72 0. 1.0000 0. 13 -9 0 104.41 8.32 0. 1.0000 0. -13 -9 0 104.86 8.34 0. 1.0000 0. 13 9 0 106.29 8.75 0. 1.0000 0. 13 9 0 98.61 9.14 0. 1.0000 0. 9 13 0 98.88 8.30 0. 1.0000 0. -9 -13 0 104.90 8.06 0. 1.0000 0. -13 -9 0 105.09 8.44 0. 1.0000 0. 13 -9 0 120.29 10.13 0. 1.0000 0. -9 -13 0 113.85 10.18 0. 1.0000 0. 9 13 0 117.26 9.10 0. 1.0000 0. 9 -13 0 118.27 10.50 0. 1.0000 0. 9 -13 0 113.76 8.65 0. 1.0000 0. -13 -9 0 103.77 8.65 0. 1.0000 0. 13 11 0 44.30 5.42 0. 1.0000 0. 11 13 0 49.34 5.37 0. 1.0000 0. 11 -13 0 54.12 5.63 0. 1.0000 0. 13 -11 0 69.17 8.79 0. 1.0000 0. -13 -11 0 39.49 5.67 0. 1.0000 0. -13 -11 0 54.83 5.30 0. 1.0000 0. -13 -11 0 50.48 5.13 0. 1.0000 0. 11 13 0 52.09 5.67 0. 1.0000 0. -11 -13 0 49.23 4.57 0. 1.0000 0. 11 -13 0 45.81 8.04 0. 1.0000 0. -11 -13 0 41.33 5.15 0. 1.0000 0. -13 -11 0 48.59 4.87 0. 1.0000 0. 13 -11 0 54.93 5.37 0. 1.0000 0. -11 -13 0 46.85 5.01 0. 1.0000 0. -11 -13 0 61.60 7.92 0. 1.0000 0. 13 11 0 51.94 6.48 0. 1.0000 0. -11 -13 0 54.78 5.52 0. 1.0000 0. 13 13 0 38.00 4.99 0. 1.0000 0. 13 13 0 30.60 4.89 0. 1.0000 0. 14 0 0 154.30 11.07 0. 1.0000 0. 0 -14 0 151.21 11.00 0. 1.0000 0. -14 0 0 137.83 10.40 0. 1.0000 0. 14 0 0 140.60 11.14 0. 1.0000 0. 0 -14 0 146.57 10.89 0. 1.0000 0. 0 -14 0 139.67 10.95 0. 1.0000 0. 0 -14 0 142.02 12.04 0. 1.0000 0. 0 14 0 149.43 10.39 0. 1.0000 0. 14 -2 0 138.95 10.32 0. 1.0000 0. 14 2 0 137.76 10.46 0. 1.0000 0. -2 -14 0 145.10 11.47 0. 1.0000 0. 2 -14 0 139.93 11.53 0. 1.0000 0. -14 -2 0 146.95 9.88 0. 1.0000 0. -14 -2 0 123.44 9.98 0. 1.0000 0. -2 -14 0 138.10 10.36 0. 1.0000 0. -2 -14 0 135.38 10.36 0. 1.0000 0. -2 -14 0 130.96 9.57 0. 1.0000 0. -2 -14 0 145.57 10.25 0. 1.0000 0. 14 -2 0 129.49 10.37 0. 1.0000 0. 2 -14 0 141.20 10.20 0. 1.0000 0. 14 2 0 121.23 10.50 0. 1.0000 0. 2 -14 0 116.04 10.25 0. 1.0000 0. 2 14 0 145.85 10.13 0. 1.0000 0. 2 -14 0 134.04 10.37 0. 1.0000 0. -14 2 0 135.93 9.82 0. 1.0000 0. -4 -14 0 78.79 8.68 0. 1.0000 0. -14 4 0 83.79 6.34 0. 1.0000 0. -4 -14 0 87.61 7.07 0. 1.0000 0. 14 4 0 83.08 7.19 0. 1.0000 0. 4 14 0 92.54 7.05 0. 1.0000 0. -14 -4 0 77.60 6.39 0. 1.0000 0. -4 -14 0 83.92 7.04 0. 1.0000 0. -4 -14 0 70.10 7.07 0. 1.0000 0. -14 -4 0 76.29 6.59 0. 1.0000 0. 4 -14 0 84.56 7.06 0. 1.0000 0. 4 -14 0 82.52 6.89 0. 1.0000 0. 14 4 0 75.87 7.55 0. 1.0000 0. 4 -14 0 91.56 6.90 0. 1.0000 0. -14 -4 0 84.32 6.88 0. 1.0000 0. -4 -14 0 79.87 6.21 0. 1.0000 0. 14 -4 0 80.92 7.04 0. 1.0000 0. 4 -14 0 82.12 8.67 0. 1.0000 0. 14 -4 0 79.15 6.90 0. 1.0000 0. -14 6 0 105.36 7.80 0. 1.0000 0. 14 6 0 110.51 9.03 0. 1.0000 0. 6 -14 0 103.12 8.34 0. 1.0000 0. -14 -6 0 99.52 8.11 0. 1.0000 0. -14 -6 0 116.33 7.95 0. 1.0000 0. -6 -14 0 99.10 8.42 0. 1.0000 0. 14 -6 0 102.43 8.28 0. 1.0000 0. 6 14 0 101.33 8.26 0. 1.0000 0. -6 -14 0 95.44 7.66 0. 1.0000 0. 14 6 0 98.37 8.53 0. 1.0000 0. 6 -14 0 99.55 7.94 0. 1.0000 0. 6 -14 0 95.67 8.06 0. 1.0000 0. -6 -14 0 100.47 8.33 0. 1.0000 0. -14 -6 0 95.22 7.86 0. 1.0000 0. -6 -14 0 103.24 8.60 0. 1.0000 0. 8 -14 0 88.97 6.73 0. 1.0000 0. -8 -14 0 77.90 6.75 0. 1.0000 0. 14 -8 0 80.43 7.83 0. 1.0000 0. -8 -14 0 78.53 7.01 0. 1.0000 0. -14 -8 0 66.90 6.08 0. 1.0000 0. -8 -14 0 75.49 8.66 0. 1.0000 0. 14 8 0 74.62 7.67 0. 1.0000 0. 8 14 0 66.91 6.72 0. 1.0000 0. 8 -14 0 81.89 6.82 0. 1.0000 0. 14 -8 0 80.02 6.63 0. 1.0000 0. 14 -8 0 66.63 6.17 0. 1.0000 0. 8 -14 0 80.67 8.87 0. 1.0000 0. -8 -14 0 78.81 6.12 0. 1.0000 0. -14 -8 0 75.11 6.34 0. 1.0000 0. -8 -14 0 92.61 7.05 0. 1.0000 0. -14 -8 0 74.12 6.65 0. 1.0000 0. 10 -14 0 56.16 7.79 0. 1.0000 0. -10 -14 0 50.59 8.19 0. 1.0000 0. -10 -14 0 48.63 4.65 0. 1.0000 0. -10 -14 0 53.61 5.46 0. 1.0000 0. 14 10 0 40.82 6.33 0. 1.0000 0. 10 14 0 48.86 5.38 0. 1.0000 0. 10 -14 0 54.92 5.50 0. 1.0000 0. -14 -10 0 49.82 4.83 0. 1.0000 0. -14 -10 0 48.25 5.15 0. 1.0000 0. -10 -14 0 38.42 5.12 0. 1.0000 0. -14 -10 0 47.34 5.38 0. 1.0000 0. 14 10 0 48.72 5.62 0. 1.0000 0. -14 -10 0 50.17 4.82 0. 1.0000 0. 14 -10 0 49.66 4.87 0. 1.0000 0. 14 -10 0 52.01 7.10 0. 1.0000 0. 10 14 0 48.67 5.76 0. 1.0000 0. -10 -14 0 39.99 5.35 0. 1.0000 0. 14 12 0 20.69 2.84 0. 1.0000 0. 12 14 0 16.41 2.80 0. 1.0000 0. -1 -15 0 710.70 58.00 0. 1.0000 0. -1 -15 0 787.93 57.96 0. 1.0000 0. 15 -1 0 900.88 58.16 0. 1.0000 0. -15 1 0 837.37 57.75 0. 1.0000 0. 1 -15 0 946.82 58.03 0. 1.0000 0. 1 -15 0 949.48 58.73 0. 1.0000 0. 15 1 0 881.58 58.14 0. 1.0000 0. -1 -15 0 762.94 58.05 0. 1.0000 0. 15 -3 0 80.55 6.64 0. 1.0000 0. 15 -3 0 68.97 6.73 0. 1.0000 0. 3 -15 0 75.42 6.32 0. 1.0000 0. -3 -15 0 71.24 6.36 0. 1.0000 0. 3 15 0 55.60 6.39 0. 1.0000 0. -15 3 0 75.61 5.88 0. 1.0000 0. -15 -3 0 71.80 6.23 0. 1.0000 0. 3 -15 0 68.76 6.27 0. 1.0000 0. -3 -15 0 67.24 6.58 0. 1.0000 0. -3 -15 0 70.17 5.46 0. 1.0000 0. -15 -3 0 62.54 5.72 0. 1.0000 0. 15 3 0 66.25 7.06 0. 1.0000 0. -3 -15 0 68.99 6.56 0. 1.0000 0. 3 -15 0 77.89 6.45 0. 1.0000 0. -15 -5 0 84.45 7.07 0. 1.0000 0. 5 -15 0 89.48 7.11 0. 1.0000 0. 15 5 0 95.78 7.83 0. 1.0000 0. -5 -15 0 88.39 6.70 0. 1.0000 0. 15 -5 0 88.02 7.55 0. 1.0000 0. 5 -15 0 92.68 9.29 0. 1.0000 0. 5 -15 0 82.59 7.13 0. 1.0000 0. 5 -15 0 79.29 7.40 0. 1.0000 0. -15 -5 0 88.32 6.88 0. 1.0000 0. -5 -15 0 83.04 7.45 0. 1.0000 0. -15 -5 0 86.49 7.32 0. 1.0000 0. 15 -5 0 98.20 7.60 0. 1.0000 0. 15 5 0 87.13 8.05 0. 1.0000 0. -5 -15 0 86.93 7.47 0. 1.0000 0. -15 5 0 89.56 6.85 0. 1.0000 0. -5 -15 0 92.24 7.69 0. 1.0000 0. -5 -15 0 87.99 9.23 0. 1.0000 0. 5 15 0 97.25 7.63 0. 1.0000 0. 7 -15 0 44.19 4.69 0. 1.0000 0. 7 -15 0 40.20 4.50 0. 1.0000 0. 7 -15 0 39.23 4.35 0. 1.0000 0. -15 7 0 37.87 4.06 0. 1.0000 0. -15 -7 0 40.86 4.36 0. 1.0000 0. -15 -7 0 40.92 4.81 0. 1.0000 0. -7 -15 0 37.15 3.92 0. 1.0000 0. -15 -7 0 38.44 3.98 0. 1.0000 0. 7 15 0 40.19 5.13 0. 1.0000 0. -7 -15 0 39.83 4.85 0. 1.0000 0. 15 -7 0 33.03 3.91 0. 1.0000 0. 15 7 0 40.06 5.78 0. 1.0000 0. 15 -7 0 46.91 6.65 0. 1.0000 0. -7 -15 0 34.70 4.57 0. 1.0000 0. -7 -15 0 31.22 4.97 0. 1.0000 0. 15 7 0 36.24 5.39 0. 1.0000 0. 15 -7 0 47.23 4.92 0. 1.0000 0. 15 -9 0 59.94 7.25 0. 1.0000 0. -15 -9 0 41.38 4.56 0. 1.0000 0. -15 -9 0 36.11 4.78 0. 1.0000 0. -9 -15 0 34.96 4.89 0. 1.0000 0. -9 -15 0 40.73 4.24 0. 1.0000 0. -9 -15 0 52.21 5.31 0. 1.0000 0. 9 15 0 37.28 5.32 0. 1.0000 0. 15 -9 0 34.54 4.69 0. 1.0000 0. 9 -15 0 46.44 5.38 0. 1.0000 0. -9 -15 0 48.14 8.34 0. 1.0000 0. 15 9 0 43.06 5.46 0. 1.0000 0. 9 -15 0 52.02 7.74 0. 1.0000 0. 15 -9 0 44.43 4.76 0. 1.0000 0. 16 0 0 81.10 7.61 0. 1.0000 0. 0 -16 0 89.79 9.32 0. 1.0000 0. 0 -16 0 95.06 7.48 0. 1.0000 0. 16 0 0 98.74 7.79 0. 1.0000 0. 0 -16 0 91.52 7.36 0. 1.0000 0. 0 -16 0 81.91 7.31 0. 1.0000 0. -16 0 0 81.55 7.00 0. 1.0000 0. 2 -16 0 79.09 6.67 0. 1.0000 0. 16 -2 0 64.31 7.07 0. 1.0000 0. 2 -16 0 71.88 6.80 0. 1.0000 0. 2 -16 0 80.63 8.78 0. 1.0000 0. -16 2 0 81.66 6.35 0. 1.0000 0. 2 -16 0 79.30 6.90 0. 1.0000 0. 16 2 0 73.34 7.39 0. 1.0000 0. -2 -16 0 75.38 6.70 0. 1.0000 0. -2 -16 0 82.51 8.78 0. 1.0000 0. -2 -16 0 78.13 5.90 0. 1.0000 0. -2 -16 0 73.72 6.77 0. 1.0000 0. 16 2 0 80.60 7.20 0. 1.0000 0. -2 -16 0 75.80 6.61 0. 1.0000 0. 16 -2 0 80.67 6.99 0. 1.0000 0. -16 -2 0 79.61 6.42 0. 1.0000 0. -4 -16 0 57.64 8.09 0. 1.0000 0. -16 4 0 66.06 5.09 0. 1.0000 0. -4 -16 0 58.15 5.58 0. 1.0000 0. 4 16 0 61.67 5.36 0. 1.0000 0. 16 -4 0 58.09 5.99 0. 1.0000 0. -16 -4 0 55.57 5.68 0. 1.0000 0. 4 -16 0 56.00 8.12 0. 1.0000 0. 4 -16 0 64.32 5.53 0. 1.0000 0. 16 4 0 54.74 6.46 0. 1.0000 0. -4 -16 0 56.11 5.72 0. 1.0000 0. -16 -4 0 59.07 5.15 0. 1.0000 0. 4 -16 0 56.36 5.78 0. 1.0000 0. 16 4 0 55.96 6.23 0. 1.0000 0. -4 -16 0 55.46 5.78 0. 1.0000 0. -4 -16 0 54.74 4.82 0. 1.0000 0. 4 -16 0 58.12 5.42 0. 1.0000 0. 16 -4 0 55.62 6.16 0. 1.0000 0. 16 -6 0 27.75 3.86 0. 1.0000 0. -16 -6 0 35.90 4.70 0. 1.0000 0. 16 -6 0 42.05 4.95 0. 1.0000 0. -6 -16 0 34.44 4.74 0. 1.0000 0. -6 -16 0 36.38 4.61 0. 1.0000 0. 6 -16 0 36.07 4.53 0. 1.0000 0. 6 -16 0 43.11 4.75 0. 1.0000 0. 6 -16 0 37.23 4.39 0. 1.0000 0. -6 -16 0 34.86 4.70 0. 1.0000 0. 6 16 0 42.54 5.53 0. 1.0000 0. -16 -6 0 36.84 4.21 0. 1.0000 0. -6 -16 0 28.75 3.88 0. 1.0000 0. -6 -16 0 36.52 3.69 0. 1.0000 0. -16 -6 0 42.13 4.29 0. 1.0000 0. 16 6 0 36.70 5.12 0. 1.0000 0. -16 6 0 41.31 4.23 0. 1.0000 0. 16 6 0 38.32 5.77 0. 1.0000 0. 8 -16 0 34.77 4.33 0. 1.0000 0. 16 -8 0 29.80 4.34 0. 1.0000 0. 16 8 0 21.77 4.08 0. 1.0000 0. 8 -16 0 15.75 3.65 0. 1.0000 0. -8 -16 0 32.51 4.89 0. 1.0000 0. -8 -16 0 31.89 4.67 0. 1.0000 0. -16 -8 0 26.10 3.74 0. 1.0000 0. -16 -8 0 25.46 3.55 0. 1.0000 0. -8 -16 0 21.72 3.58 0. 1.0000 0. 16 8 0 27.08 3.87 0. 1.0000 0. -8 -16 0 19.49 4.08 0. 1.0000 0. -16 -8 0 21.25 3.23 0. 1.0000 0. 8 16 0 20.81 3.31 0. 1.0000 0. 1 -17 0 49.76 5.57 0. 1.0000 0. 17 -1 0 48.45 6.18 0. 1.0000 0. -17 1 0 55.97 4.86 0. 1.0000 0. 1 -17 0 63.79 7.98 0. 1.0000 0. -1 -17 0 54.67 5.63 0. 1.0000 0. 17 1 0 50.55 5.79 0. 1.0000 0. -1 -17 0 56.44 7.75 0. 1.0000 0. -1 -17 0 48.10 5.33 0. 1.0000 0. -17 -1 0 54.54 5.11 0. 1.0000 0. 17 1 0 56.16 6.07 0. 1.0000 0. -1 -17 0 61.06 5.85 0. 1.0000 0. 1 -17 0 47.50 5.31 0. 1.0000 0. 1 -17 0 55.36 5.66 0. 1.0000 0. 17 -1 0 53.53 5.93 0. 1.0000 0. 3 -17 0 64.68 7.98 0. 1.0000 0. 17 3 0 44.39 5.94 0. 1.0000 0. 17 -3 0 59.23 6.01 0. 1.0000 0. -17 -3 0 56.37 5.31 0. 1.0000 0. -17 3 0 60.24 5.16 0. 1.0000 0. -3 -17 0 56.34 5.58 0. 1.0000 0. 17 -3 0 55.49 6.32 0. 1.0000 0. -3 -17 0 56.80 4.87 0. 1.0000 0. 3 -17 0 62.60 5.59 0. 1.0000 0. -3 -17 0 65.89 8.16 0. 1.0000 0. 3 -17 0 54.70 5.53 0. 1.0000 0. 17 3 0 65.39 6.32 0. 1.0000 0. -3 -17 0 53.68 5.82 0. 1.0000 0. 3 -17 0 52.85 5.33 0. 1.0000 0. -3 -17 0 50.82 5.77 0. 1.0000 0. 5 -17 0 12.12 3.10 0. 1.0000 0. -5 -17 0 12.69 3.20 0. 1.0000 0. 5 -17 0 20.99 3.16 0. 1.0000 0. -17 5 0 5.90 3.06 0. 1.0000 0. 17 -5 0 10.44 2.11 0. 1.0000 0. -17 -5 0 21.11 2.84 0. 1.0000 0. 5 -17 0 14.07 2.40 0. 1.0000 0. 17 5 0 16.34 3.44 0. 1.0000 0. 17 5 0 16.14 2.85 0. 1.0000 0. -5 -17 0 18.30 2.71 0. 1.0000 0. 5 -17 0 19.61 3.03 0. 1.0000 0. -17 -5 0 16.43 2.72 0. 1.0000 0. -5 -17 0 23.85 3.24 0. 1.0000 0. -5 -17 0 16.38 2.98 0. 1.0000 0. 7 17 0 29.32 3.60 0. 1.0000 0. 17 7 0 30.40 5.07 0. 1.0000 0. 17 -7 0 27.96 3.73 0. 1.0000 0. 17 -7 0 32.14 4.49 0. 1.0000 0. 0 -18 0 33.09 4.91 0. 1.0000 0. 0 -18 0 36.88 4.92 0. 1.0000 0. 0 -18 0 47.30 5.35 0. 1.0000 0. 18 0 0 40.28 5.43 0. 1.0000 0. 18 0 0 43.58 5.51 0. 1.0000 0. -18 0 0 41.77 4.88 0. 1.0000 0. -2 -18 0 39.34 4.81 0. 1.0000 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-13 -8 125.51 10.08 0. 1.0000 0. -3 -13 8 102.27 8.52 0. 1.0000 0. -13 -5 8 49.34 4.77 0. 1.0000 0. -5 -13 -8 59.89 7.60 0. 1.0000 0. -5 -13 8 55.28 5.00 0. 1.0000 0. 13 7 8 39.25 5.54 0. 1.0000 0. -7 -13 -8 57.71 7.40 0. 1.0000 0. 13 -7 -8 31.74 4.11 0. 1.0000 0. -13 -7 8 47.06 4.40 0. 1.0000 0. -7 -13 8 43.58 4.48 0. 1.0000 0. 13 9 8 51.84 6.79 0. 1.0000 0. -9 -13 -8 63.66 8.29 0. 1.0000 0. -13 -9 8 56.01 5.85 0. 1.0000 0. 13 -9 -8 66.38 7.84 0. 1.0000 0. -9 -13 8 58.19 5.76 0. 1.0000 0. 13 -9 8 57.06 6.33 0. 1.0000 0. 9 -13 -8 68.10 7.94 0. 1.0000 0. -11 -13 -8 33.54 4.15 0. 1.0000 0. 13 -11 -8 29.47 4.07 0. 1.0000 0. -13 -11 8 37.20 5.12 0. 1.0000 0. 13 11 8 24.86 3.87 0. 1.0000 0. -11 -13 -8 40.41 4.74 0. 1.0000 0. 13 11 8 27.20 4.04 0. 1.0000 0. 11 -13 8 41.67 4.40 0. 1.0000 0. -11 -13 8 34.02 4.96 0. 1.0000 0. 11 -13 -8 28.97 4.16 0. 1.0000 0. -13 -11 -8 41.23 4.84 0. 1.0000 0. 13 -11 8 35.31 4.89 0. 1.0000 0. 11 13 8 36.82 5.99 0. 1.0000 0. 0 -14 8 8.53 1.69 0. 1.0000 0. 0 -14 -8 5.76 2.68 0. 1.0000 0. 14 0 8 5.07 2.40 0. 1.0000 0. -14 -2 8 56.96 5.75 0. 1.0000 0. 2 -14 8 64.87 5.91 0. 1.0000 0. -2 -14 -8 81.56 8.39 0. 1.0000 0. -2 -14 8 83.01 6.10 0. 1.0000 0. 2 -14 -8 91.00 8.34 0. 1.0000 0. -14 -4 8 39.30 4.11 0. 1.0000 0. 14 4 8 31.07 5.26 0. 1.0000 0. -4 -14 -8 43.82 7.16 0. 1.0000 0. 4 -14 -8 46.36 7.17 0. 1.0000 0. -4 -14 8 38.37 4.25 0. 1.0000 0. -6 -14 -8 69.70 8.39 0. 1.0000 0. -14 -6 8 55.03 5.28 0. 1.0000 0. 14 6 8 50.58 6.51 0. 1.0000 0. 6 -14 8 51.67 5.07 0. 1.0000 0. -6 -14 8 48.21 5.22 0. 1.0000 0. 14 -6 8 48.81 6.23 0. 1.0000 0. 6 -14 -8 65.79 7.99 0. 1.0000 0. 8 -14 8 27.52 3.77 0. 1.0000 0. -8 -14 -8 36.02 4.33 0. 1.0000 0. -8 -14 -8 35.38 4.36 0. 1.0000 0. 14 -8 -8 52.53 7.17 0. 1.0000 0. -14 -8 8 38.63 4.87 0. 1.0000 0. 8 14 8 33.85 5.69 0. 1.0000 0. 14 -8 8 36.79 5.43 0. 1.0000 0. -8 -14 8 37.06 4.56 0. 1.0000 0. -10 -14 -8 28.65 4.33 0. 1.0000 0. -14 -10 8 34.14 4.96 0. 1.0000 0. 14 10 8 28.91 4.78 0. 1.0000 0. 14 -10 8 33.37 4.67 0. 1.0000 0. -14 -10 -8 36.86 4.74 0. 1.0000 0. -10 -14 8 29.92 4.81 0. 1.0000 0. -14 -10 -8 31.66 3.89 0. 1.0000 0. 10 14 8 27.82 4.03 0. 1.0000 0. -15 -1 8 54.22 4.99 0. 1.0000 0. -1 -15 -8 63.32 8.12 0. 1.0000 0. 1 -15 8 64.09 5.40 0. 1.0000 0. 15 1 8 49.26 6.36 0. 1.0000 0. 15 -1 8 50.27 6.61 0. 1.0000 0. -1 -15 8 56.32 5.32 0. 1.0000 0. 1 -15 -8 71.66 7.63 0. 1.0000 0. 15 3 8 11.39 3.03 0. 1.0000 0. 3 -15 8 29.02 3.59 0. 1.0000 0. -3 -15 -8 19.58 3.27 0. 1.0000 0. 15 -3 8 19.40 3.09 0. 1.0000 0. 3 -15 -8 18.45 3.11 0. 1.0000 0. -5 -15 -8 24.53 3.78 0. 1.0000 0. 5 -15 8 34.04 3.94 0. 1.0000 0. 15 5 8 20.56 3.57 0. 1.0000 0. -15 -5 8 36.02 4.17 0. 1.0000 0. 5 -15 -8 31.49 3.90 0. 1.0000 0. 15 -5 8 34.81 5.57 0. 1.0000 0. -5 -15 8 40.74 4.42 0. 1.0000 0. 7 -15 8 29.83 4.44 0. 1.0000 0. 15 7 8 39.61 5.79 0. 1.0000 0. -7 -15 -8 36.55 4.41 0. 1.0000 0. 15 -7 8 41.94 6.41 0. 1.0000 0. 7 15 8 20.81 3.70 0. 1.0000 0. -7 -15 8 34.59 4.79 0. 1.0000 0. 7 -15 -8 26.89 3.97 0. 1.0000 0. 0 -16 -8 78.57 9.00 0. 1.0000 0. 0 -16 8 81.14 6.77 0. 1.0000 0. 16 0 8 67.77 7.75 0. 1.0000 0. 2 -16 8 34.33 4.10 0. 1.0000 0. 16 2 8 32.74 3.98 0. 1.0000 0. -2 -16 -8 26.12 3.99 0. 1.0000 0. 2 -16 -8 24.25 3.84 0. 1.0000 0. 16 -2 8 38.38 5.70 0. 1.0000 0. 16 -2 8 19.81 3.54 0. 1.0000 0. -2 -16 8 37.43 4.39 0. 1.0000 0. -4 -16 -8 21.82 3.04 0. 1.0000 0. 4 -16 8 32.34 4.43 0. 1.0000 0. 16 4 8 24.06 4.00 0. 1.0000 0. -4 -16 8 15.05 2.65 0. 1.0000 0. 16 -4 8 22.49 4.14 0. 1.0000 0. 4 -16 -8 17.41 3.57 0. 1.0000 0. 16 6 8 10.46 3.22 0. 1.0000 0. -6 -16 -8 8.63 2.48 0. 1.0000 0. -6 -16 -8 12.33 3.74 0. 1.0000 0. 6 -16 8 14.93 2.40 0. 1.0000 0. 16 6 8 9.43 2.92 0. 1.0000 0. -16 -6 8 13.28 2.64 0. 1.0000 0. -16 -6 -8 18.21 2.98 0. 1.0000 0. 6 -16 -8 11.48 3.78 0. 1.0000 0. 16 -6 8 17.75 3.40 0. 1.0000 0. -6 -16 8 15.12 2.51 0. 1.0000 0. 16 -6 8 9.36 2.95 0. 1.0000 0. -16 -6 -8 16.35 2.64 0. 1.0000 0. -1 -17 -8 40.41 4.53 0. 1.0000 0. -1 -17 -8 32.03 4.74 0. 1.0000 0. 17 1 8 28.68 4.08 0. 1.0000 0. 1 -17 8 40.57 4.92 0. 1.0000 0. 17 1 8 33.14 5.65 0. 1.0000 0. -1 -17 8 30.82 4.99 0. 1.0000 0. 1 -17 -8 41.07 4.56 0. 1.0000 0. 1 -17 -8 26.60 4.74 0. 1.0000 0. 17 -1 8 31.02 4.37 0. 1.0000 0. 17 -1 8 39.34 4.77 0. 1.0000 0. 17 3 8 22.89 3.75 0. 1.0000 0. 17 3 8 15.29 3.35 0. 1.0000 0. -3 -17 -8 18.56 2.98 0. 1.0000 0. 17 -3 8 25.12 3.81 0. 1.0000 0. 17 -3 8 30.13 3.90 0. 1.0000 0. 3 -17 -8 18.45 2.91 0. 1.0000 0. -17 -3 -8 24.33 3.15 0. 1.0000 0. -11 -12 9 3.31 2.15 0. 1.0000 0. -10 -13 -9 219.23 18.13 0. 1.0000 0. -14 -7 9 0.49 1.44 0. 1.0000 0. 7 -14 -9 -0.73 2.53 0. 1.0000 0. -7 -14 9 1.32 1.46 0. 1.0000 0. -14 -9 9 -0.75 1.77 0. 1.0000 0. -9 -14 -9 -5.20 2.79 0. 1.0000 0. -9 -14 9 0.15 1.79 0. 1.0000 0. 0 -15 -9 -3.61 2.45 0. 1.0000 0. -4 -15 -9 -2.99 2.45 0. 1.0000 0. 4 -15 -9 -3.24 2.53 0. 1.0000 0. -6 -15 -9 -0.75 2.59 0. 1.0000 0. -15 -6 9 0.79 1.56 0. 1.0000 0. -6 -15 9 1.26 1.57 0. 1.0000 0. 6 -15 -9 -0.46 2.66 0. 1.0000 0. -1 -16 -9 1.46 2.80 0. 1.0000 0. 1 -16 -9 -3.00 2.64 0. 1.0000 0. -3 -16 -9 1.81 3.27 0. 1.0000 0. -3 -16 9 -3.25 1.89 0. 1.0000 0. 3 -16 -9 7.97 2.86 0. 1.0000 0. -16 -5 9 -0.34 1.67 0. 1.0000 0. -5 -16 -9 -1.55 2.68 0. 1.0000 0. 5 -16 -9 -0.25 2.75 0. 1.0000 0. -5 -16 9 -1.81 1.72 0. 1.0000 0. 17 0 9 0.68 3.38 0. 1.0000 0. -512 # 8257 reflections output ; loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-z x+1/2,y+1/2,z+1/2 -x+1/2,-y+1/2,-z+1/2 -y,x,z y,-x,-z -y+1/2,x+1/2,z+1/2 y+1/2,-x+1/2,-z+1/2 -x,-y,z x,y,-z -x+1/2,-y+1/2,z+1/2 x+1/2,y+1/2,-z+1/2 y,-x,z -y,x,-z y+1/2,-x+1/2,z+1/2 -y+1/2,x+1/2,-z+1/2 -x,y,z+1/2 x,-y,-z+1/2 -x+1/2,y+1/2,z+1 x+1/2,-y+1/2,-z+1 y,x,z+1/2 -y,-x,-z+1/2 y+1/2,x+1/2,z+1 -y+1/2,-x+1/2,-z+1 x,-y,z+1/2 -x,y,-z+1/2 x+1/2,-y+1/2,z+1 -x+1/2,y+1/2,-z+1 -y,-x,z+1/2 y,x,-z+1/2 -y+1/2,-x+1/2,z+1 y+1/2,x+1/2,-z+1 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_occupancy _atom_site_adp_type _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group _atom_site_attached_hydrogens Zn1 Zn 0.5000 0.5000 0.5772(3) 0.0414 1.0000 Uani DS T . . . . C1 C 0.6504(5) 0.5802(6) 0.5000 0.0576 1.0000 Uani DS TU . . . . C2 C 0.7272(5) 0.6427(6) 0.5000 0.0522 1.0000 Uani DS TU . . . . C3 C 0.7616(5) 0.6731(5) 0.5615(3) 0.0604 1.0000 Uani D U . . . . C4 C 0.5906(9) 0.5010(3) 0.7102(2) 0.0594 0.3750 Uani D U . . . . C5 C 0.5638(7) 0.5637(7) 0.7102(2) 0.0590 0.3750 Uani D U . . . . C10 C 0.684(2) 0.816(2) 0.723(3) 0.300(17) 1.0000 Uiso DS U . . . . C11 C 0.563(2) 0.825(2) 0.628(2) 0.300(17) 1.0000 Uiso D U . . . . N1 N 0.5000 0.5000 0.6832(16) 0.0372 1.0000 Uani DS TU . . . . N10 N 0.6353(16) 0.8647(16) 0.665(2) 0.300(17) 1.0000 Uiso DS U . . . . O1 O 0.6203(4) 0.5576(4) 0.5574(3) 0.0712 1.0000 Uani D U . . . . O10 O 0.752(2) 0.858(2) 0.740(3) 0.300(17) 0.5000 Uiso D U . . . . H32 H 0.7365 0.6546 0.6042 0.0722 1.0000 Uiso R . . . . . H111 H 0.5483 0.8587 0.5866 0.3980 1.0000 Uiso R . . . . . H112 H 0.5097 0.8162 0.6561 0.3980 1.0000 Uiso R . . . . . H113 H 0.5865 0.7667 0.6145 0.3980 1.0000 Uiso R . . . . . H101 H 0.6597 0.7676 0.7480 0.3003 0.5000 Uiso R . . . . . H41 H 0.6198 0.5537 0.6946 0.0688 0.3750 Uiso R . . . . . H42 H 0.6216 0.4502 0.6930 0.0688 0.3750 Uiso R . . . . . H51 H 0.6215 0.5481 0.6940 0.0685 0.3750 Uiso R . . . . . H52 H 0.5485 0.6217 0.6937 0.0685 0.3750 Uiso R . . . . . 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 Zn1 0.0341(8) 0.0341(8) 0.056(6) 0.0000 0.0000 0.0000 C1 0.036(5) 0.051(6) 0.086(15) 0.0000 0.0000 -0.009(3) C2 0.042(4) 0.048(5) 0.066(17) 0.0000 0.0000 -0.012(3) C3 0.057(4) 0.065(5) 0.059(17) 0.002(6) 0.004(5) -0.024(4) C4 0.047(5) 0.111(9) 0.02(5) -0.02(3) -0.005(5) -0.0007(9) C5 0.078(6) 0.078(6) 0.02(5) -0.003(10) -0.003(9) -0.032(5) N1 0.041(4) 0.041(4) 0.03(4) 0.0000 0.0000 0.0000 O1 0.044(3) 0.080(4) 0.090(15) 0.010(5) -0.003(4) -0.029(3) loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c _atom_type_scat_source C 0.0006 0.0007 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512 0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4' H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998 0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4' N 0.0016 0.0014 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826 -11.5290 'International Tables Vol C 4.2.6.8 and 6.1.1.4' O 0.0036 0.0026 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089 0.2508 'International Tables Vol C 4.2.6.8 and 6.1.1.4' Zn 0.3043 0.7253 14.0743 3.2655 7.0318 0.2333 5.1652 10.3163 2.4100 58.7097 1.3041 'International Tables Vol C 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_site_symmetry_1 _geom_angle_atom_site_label_2 _geom_angle_site_symmetry_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag Zn1 2_666 Zn1 . O1 5_655 79.2(2) yes Zn1 2_666 Zn1 . O1 13_565 79.2(2) yes O1 5_655 Zn1 . O1 13_565 158.5(4) yes Zn1 2_666 Zn1 . O1 9_665 79.2(2) yes O1 5_655 Zn1 . O1 9_665 88.00(15) yes O1 13_565 Zn1 . O1 9_665 88.00(8) yes Zn1 2_666 Zn1 . N1 . 179.99 yes O1 5_655 Zn1 . N1 . 100.8(2) yes O1 13_565 Zn1 . N1 . 100.8(2) yes O1 9_665 Zn1 . N1 . 100.8(2) yes Zn1 2_666 Zn1 . O1 . 79.2(2) yes O1 5_655 Zn1 . O1 . 88.00(8) yes O1 13_565 Zn1 . O1 . 88.00(15) yes O1 9_665 Zn1 . O1 . 158.5(4) yes N1 . Zn1 . O1 . 100.8(2) yes O1 10_556 C1 . C2 . 117.2(3) yes O1 10_556 C1 . O1 . 125.5(6) yes C2 . C1 . O1 . 117.2(3) yes C1 . C2 . C3 10_556 120.3(3) yes C1 . C2 . C3 . 120.3(3) yes C3 10_556 C2 . C3 . 119.4(5) yes C3 31_664 C3 . C2 . 120.2(3) yes C3 31_664 C3 . H32 . 119.4 no C2 . C3 . H32 . 119.9 no C4 18_566 C4 . H52 13_565 108.9 no C4 18_566 C4 . C5 30_556 35.0(4) yes H52 13_565 C4 . C5 30_556 143.2 no C4 18_566 C4 . C5 13_565 89.0(5) yes H52 13_565 C4 . C5 13_565 57.0 no C5 30_556 C4 . C5 13_565 112.9(7) yes C4 18_566 C4 . C5 . 91.1(5) yes H52 13_565 C4 . C5 . 158.3 no C5 30_556 C4 . C5 . 56.1(5) yes C5 13_565 C4 . C5 . 134.3(12) yes C4 18_566 C4 . N1 . 110.8(13) yes H52 13_565 C4 . N1 . 109.7 no C5 30_556 C4 . N1 . 95.4(13) yes C5 13_565 C4 . N1 . 68.4(6) yes C5 . C4 . N1 . 69.0(6) yes C4 18_566 C4 . H41 . 109.3 no H52 13_565 C4 . H41 . 109.1 no C5 30_556 C4 . H41 . 86.3 no C5 13_565 C4 . H41 . 160.7 no C5 . C4 . H41 . 54.3 no C4 18_566 C4 . H42 . 109.3 no H52 13_565 C4 . H42 . 0.7 no C5 30_556 C4 . H42 . 143.6 no C5 13_565 C4 . H42 . 56.5 no C5 . C4 . H42 . 158.2 no C4 18_566 C4 . H51 . 111.1 no H52 13_565 C4 . H51 . 104.6 no C5 30_556 C4 . H51 . 89.8 no C5 13_565 C4 . H51 . 157.3 no C5 . C4 . H51 . 58.7 no N1 . C4 . H41 . 109.0 no N1 . C4 . H42 . 109.0 no H41 . C4 . H42 . 109.5 no N1 . C4 . H51 . 111.5 no H41 . C4 . H51 . 4.5 no H42 . C4 . H51 . 105.0 no C5 30_556 C5 . H42 5_655 110.1 no C5 30_556 C5 . C4 30_556 33.8(4) yes H42 5_655 C5 . C4 30_556 88.4 no C5 30_556 C5 . C4 5_655 89.9(5) yes H42 5_655 C5 . C4 5_655 56.4 no C4 30_556 C5 . C4 5_655 56.0(5) yes C5 30_556 C5 . C4 . 90.1(5) yes H42 5_655 C5 . C4 . 157.8 no C4 30_556 C5 . C4 . 113.8(7) yes C4 5_655 C5 . C4 . 135.7(12) yes C5 30_556 C5 . N1 . 110.9(13) yes H42 5_655 C5 . N1 . 109.5 no C4 30_556 C5 . N1 . 95.9(13) yes C4 5_655 C5 . N1 . 69.1(6) yes C4 . C5 . N1 . 69.7(6) yes C5 30_556 C5 . H41 . 109.4 no H42 5_655 C5 . H41 . 104.0 no C4 30_556 C5 . H41 . 141.9 no C4 5_655 C5 . H41 . 157.1 no C4 . C5 . H41 . 58.9 no C5 30_556 C5 . H51 . 109.2 no H42 5_655 C5 . H51 . 108.3 no C4 30_556 C5 . H51 . 142.5 no C4 5_655 C5 . H51 . 159.6 no C4 . C5 . H51 . 54.2 no C5 30_556 C5 . H52 . 109.3 no H42 5_655 C5 . H52 . 1.4 no C4 30_556 C5 . H52 . 87.2 no C4 5_655 C5 . H52 . 55.1 no C4 . C5 . H52 . 159.0 no N1 . C5 . H41 . 112.8 no N1 . C5 . H51 . 108.9 no H41 . C5 . H51 . 4.8 no N1 . C5 . H52 . 108.9 no H41 . C5 . H52 . 105.3 no H51 . C5 . H52 . 109.6 no H101 31_664 C10 . O10 31_664 125.2 no H101 31_664 C10 . N10 . 124.0 no O10 31_664 C10 . N10 . 110.0(4) yes H101 31_664 C10 . O10 . 16.2 no O10 31_664 C10 . O10 . 140.0(7) yes N10 . C10 . O10 . 110.0(4) yes H101 31_664 C10 . H101 . 109.7 no O10 31_664 C10 . H101 . 16.2 no N10 . C10 . H101 . 124.0 no O10 . C10 . H101 . 125.2 no N10 . C11 . H111 . 111.0 no N10 . C11 . H112 . 113.7 no H111 . C11 . H112 . 109.5 no N10 . C11 . H113 . 103.5 no H111 . C11 . H113 . 109.5 no H112 . C11 . H113 . 109.5 no C4 9_665 N1 . C4 13_565 82.7(9) yes C4 9_665 N1 . C4 5_655 82.7(9) yes C4 13_565 N1 . C4 5_655 138(3) yes C4 9_665 N1 . C4 . 138(3) yes C4 13_565 N1 . C4 . 82.7(9) yes C4 5_655 N1 . C4 . 82.7(9) yes C4 9_665 N1 . C5 5_655 42.6(5) yes C4 13_565 N1 . C5 5_655 119.9(17) yes C4 5_655 N1 . C5 5_655 41.3(5) yes C4 . N1 . C5 5_655 118.9(17) yes C4 9_665 N1 . C5 13_565 118.9(17) yes C4 13_565 N1 . C5 13_565 41.3(5) yes C4 5_655 N1 . C5 13_565 119.9(17) yes C4 . N1 . C5 13_565 42.6(5) yes C5 5_655 N1 . C5 13_565 138(3) yes C4 9_665 N1 . C5 9_665 41.3(5) yes C4 13_565 N1 . C5 9_665 42.6(5) yes C4 5_655 N1 . C5 9_665 118.9(17) yes C4 . N1 . C5 9_665 119.9(17) yes C5 5_655 N1 . C5 9_665 82.7(9) yes C4 9_665 N1 . C5 . 119.9(17) yes C4 13_565 N1 . C5 . 118.9(17) yes C4 5_655 N1 . C5 . 42.6(5) yes C4 . N1 . C5 . 41.3(5) yes C5 5_655 N1 . C5 . 82.7(9) yes C4 9_665 N1 . Zn1 . 110.8(13) yes C4 13_565 N1 . Zn1 . 110.8(13) yes C4 5_655 N1 . Zn1 . 110.8(13) yes C4 . N1 . Zn1 . 110.8(13) yes C5 5_655 N1 . Zn1 . 110.9(13) yes C5 13_565 N1 . C5 9_665 82.7(9) yes C5 13_565 N1 . C5 . 82.7(9) yes C5 9_665 N1 . C5 . 138(3) yes C5 13_565 N1 . Zn1 . 110.9(13) yes C5 9_665 N1 . Zn1 . 110.9(13) yes C5 . N1 . Zn1 . 110.9(13) yes C10 . N10 . C11 31_664 121.9(6) yes C10 . N10 . C11 . 121.9(6) yes C11 31_664 N10 . C11 . 113.0(8) yes Zn1 . O1 . C1 . 127.4(5) yes C4 . H41 . C5 . 66.9 no C5 13_565 H42 . C4 . 67.1 no C5 . H51 . C4 . 67.1 no C5 . H52 . C4 5_655 67.9 no loop_ _geom_bond_atom_site_label_1 _geom_bond_site_symmetry_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Zn1 . Zn1 2_666 2.984(12) yes Zn1 . O1 5_655 2.054(5) yes Zn1 . O1 13_565 2.054(5) yes Zn1 . O1 9_665 2.054(5) yes Zn1 . N1 . 2.05(3) yes Zn1 . O1 . 2.054(5) yes C1 . O1 10_556 1.246(6) yes C1 . C2 . 1.498(6) yes C1 . O1 . 1.246(6) yes C2 . C3 10_556 1.377(6) yes C2 . C3 . 1.377(6) yes C3 . C3 31_664 1.396(7) yes C3 . H32 . 0.950 no C4 . C4 18_566 1.538(9) yes C4 . H52 13_565 0.940 no C4 . C5 30_556 1.854(9) yes C4 . C5 13_565 1.062(11) yes C4 . C5 . 1.031(11) yes C4 . N1 . 1.467(8) yes C4 . H41 . 0.960 no C4 . H42 . 0.960 no C4 . H51 . 0.907 no C5 . C5 30_556 1.538(9) yes C5 . H42 5_655 0.961 no C5 . N1 . 1.460(8) yes C5 . H41 . 0.910 no C5 . H51 . 0.956 no C5 . H52 . 0.962 no C10 . H101 31_664 0.952 no C10 . O10 31_664 1.248(6) yes C10 . N10 . 1.523(9) yes C10 . O10 . 1.248(6) yes C10 . H101 . 0.952 no C11 . N10 . 1.443(8) yes C11 . H111 . 0.980 no C11 . H112 . 0.980 no C11 . H113 . 0.980 no loop_ _geom_hbond_atom_site_label_D _geom_hbond_site_symmetry_D _geom_hbond_atom_site_label_H _geom_hbond_site_symmetry_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_A _geom_hbond_angle_DHA _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_publ_flag C4 . H42 . O10 19_644 133 0.96 2.54 3.27(2) yes C4 5_655 H52 . O10 31_664 135 0.94 2.54 3.27(2) yes loop_ _oxford_refln_omitted_index_h _oxford_refln_omitted_index_k _oxford_refln_omitted_index_l _oxford_refln_omitted_flag _oxford_refln_omitted_details 1 2 1 x . 6 12 0 x . 1 15 0 x . 9 12 1 x . 3 10 7 x . 4 10 6 x . 3 6 1 x . 6 12 2 x . 2 15 1 x . 6 9 5 x . 8 8 4 x . 10 13 9 x . 10 14 6 x . 0 12 0 x . 1 15 2 x . 3 17 6 x . 0 4 0 x . 6 6 0 x . 3 4 3 x . 1 9 0 x . 0 10 6 x . 2 7 3 x . 1 11 0 x . 5 14 3 x . 6 11 7 x . 8 15 7 x . 4 17 5 x . 0 10 0 x . 2 6 4 x . 5 8 1 x . 9 10 1 x . 10 11 3 x . 3 13 2 x . 3 11 4 x . 4 13 1 x . 5 6 3 x . 6 16 6 x . 6 7 3 x . 7 9 4 x . 5 10 5 x . 3 12 5 x . 11 13 6 x . 1 6 3 x . 5 6 1 x . 9 15 4 x . 3 10 5 x . 6 10 8 x . 11 14 1 x .