#------------------------------------------------------------------------------ #$Date: 2023-11-23 01:39:40 +0200 (Thu, 23 Nov 2023) $ #$Revision: 287746 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/24/77/7247770.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_7247770 loop_ _publ_author_name 'Jones, Isabelle M.' 'Turner, Gemma F.' 'Pitts, Kari' 'Powell, Rees' 'Riboldi-Tunnicliffe, Alan' 'Williamson, Rachel' 'Boer, Stephanie' 'Allen, Lauren' 'Moggach, Stephen A.' _publ_section_title ; High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67 ; _journal_name_full CrystEngComm _journal_paper_doi 10.1039/D3CE00979C _journal_year 2023 _chemical_absolute_configuration ad _chemical_formula_moiety 'C8 H10 Co N4, 3.417[CH3OH]' _chemical_formula_sum 'C11.75 H25 Co N4 O3.75' _chemical_formula_weight 341.28 _chemical_name_common ZIF-67 _space_group_crystal_system cubic _space_group_IT_number 217 _space_group_name_Hall 'I -4 2 3' _space_group_name_H-M_alt 'I -4 3 m' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _audit_creation_date 2023-10-02 _audit_creation_method ; Olex2 1.5 (compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817) ; _audit_update_record ; 2023-10-04 deposited with the CCDC. 2023-11-21 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 12 _cell_length_a 17.2230(4) _cell_length_b 17.2230(4) _cell_length_c 17.2230(4) _cell_measurement_reflns_used 1304 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 21.6840 _cell_measurement_theta_min 2.3610 _cell_volume 5108.9(2) _computing_cell_refinement 'CrysAlisPro 1.171.42.58a (Rigaku OD, 2022)' _computing_data_collection 'CrysAlisPro 1.171.42.58a (Rigaku OD, 2022)' _computing_data_reduction 'CrysAlisPro 1.171.42.58a (Rigaku OD, 2022)' _computing_molecular_graphics 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT (Sheldrick, 2015)' _diffrn_ambient_temperature 293(2) _diffrn_detector 'Hybrid Pixel Array Detector' _diffrn_detector_area_resol_mean 13.3333 _diffrn_measured_fraction_theta_full 0.940 _diffrn_measured_fraction_theta_max 0.940 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames #-------------------------------------------------------------------------- 1 \f -31.60 35.00 0.10 0.10 0.00 0.00 0.00 -- 666 ; _diffrn_measurement_device 'abstract diffractometer' _diffrn_measurement_device_type 'dectris-CrysAlisPro-abstract goniometer imported dectris images' _diffrn_measurement_method '\f scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.0304342000 _diffrn_orient_matrix_UB_12 -0.0271846000 _diffrn_orient_matrix_UB_13 -0.0047920000 _diffrn_orient_matrix_UB_21 0.0114378000 _diffrn_orient_matrix_UB_22 -0.0058135000 _diffrn_orient_matrix_UB_23 -0.0391778000 _diffrn_orient_matrix_UB_31 0.0252057000 _diffrn_orient_matrix_UB_32 -0.0304046000 _diffrn_orient_matrix_UB_33 0.0118633000 _diffrn_radiation_monochromator graphite _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0410 _diffrn_reflns_av_unetI/netI 0.0474 _diffrn_reflns_Laue_measured_fraction_full 0.940 _diffrn_reflns_Laue_measured_fraction_max 0.940 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_number 2030 _diffrn_reflns_point_group_measured_fraction_full 0.895 _diffrn_reflns_point_group_measured_fraction_max 0.895 _diffrn_reflns_theta_full 21.660 _diffrn_reflns_theta_max 21.660 _diffrn_reflns_theta_min 1.672 _diffrn_source Synchrotron _diffrn_source_type 'AS beamline MX1' _exptl_absorpt_coefficient_mu 1.024 _exptl_absorpt_correction_T_max 0.7447 _exptl_absorpt_correction_T_min 0.4409 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1006 before and 0.0751 after correction. The Ratio of minimum to maximum transmission is 0.5921. The \l/2 correction factor is Not present. ; _exptl_crystal_colour 'bluish violet' _exptl_crystal_colour_modifier bluish _exptl_crystal_colour_primary violet _exptl_crystal_density_diffrn 1.331 _exptl_crystal_description block _exptl_crystal_F_000 2166 _exptl_crystal_size_max 0.15 _exptl_crystal_size_mid 0.1 _exptl_crystal_size_min 0.1 _platon_squeeze_details ; TITL zif67_p2_w1_70s_0053_a.res in I-43m CELL 17.2230 17.2230 17.2230 90.00 90.00 90.00 SPGR I-43m # Solvent Accessible Volume = 2643 # Electrons Found in S.A.V. = 791 # Note: Atoms in Void are Labelled as Cxxx and Qxxx for all Others C101 0.795 0.205 0.205 ! 1.43 eA-3 C102 0.206 0.222 0.009 ! 1.39 eA-3 C103 1.000 1.000 0.000 ! 1.34 eA-3 C104 0.717 0.661 0.339 ! 1.08 eA-3 C105 0.203 0.201 0.109 ! 1.00 eA-3 C106 0.500 0.500 0.235 ! 0.99 eA-3 C107 0.029 0.232 0.040 ! 0.97 eA-3 C108 0.973 0.231 0.027 ! 0.95 eA-3 C109 0.337 0.307 0.468 ! 0.89 eA-3 C110 0.640 0.360 0.360 ! 0.88 eA-3 C111 0.355 0.538 0.292 ! 0.88 eA-3 C112 0.803 0.027 0.854 ! 0.88 eA-3 C113 0.519 0.662 0.687 ! 0.86 eA-3 C114 0.812 0.809 0.078 ! 0.83 eA-3 C115 0.195 0.852 0.202 ! 0.81 eA-3 C116 0.908 0.796 0.012 ! 0.80 eA-3 C117 1.000 1.007 0.188 ! 0.75 eA-3 C118 0.183 0.063 0.062 ! 0.72 eA-3 C119 0.271 0.740 0.261 ! 0.71 eA-3 Q120 1.007 0.282 0.060 ! 0.69 eA-3 C121 0.292 0.059 0.059 ! 0.69 eA-3 C122 0.349 0.662 0.338 ! 0.66 eA-3 C123 0.250 0.258 0.031 ! 0.63 eA-3 C124 0.331 0.324 0.409 ! 0.63 eA-3 Q125 0.202 0.315 0.315 ! 0.58 eA-3 C126 0.531 0.525 0.390 ! 0.58 eA-3 C127 0.079 0.847 0.232 ! 0.54 eA-3 C128 0.359 0.702 0.359 ! 0.53 eA-3 C129 0.672 0.593 0.396 ! 0.52 eA-3 C130 0.240 0.530 0.374 ! 0.52 eA-3 ; _refine_diff_density_max 0.240 _refine_diff_density_min -0.282 _refine_diff_density_rms 0.037 _refine_ls_abs_structure_details ; Flack x determined using 178 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack 0.13(3) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.168 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 24 _refine_ls_number_reflns 531 _refine_ls_number_restraints 8 _refine_ls_restrained_S_all 1.183 _refine_ls_R_factor_all 0.0453 _refine_ls_R_factor_gt 0.0415 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0651P)^2^+2.9959P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1183 _refine_ls_wR_factor_ref 0.1245 _reflns_Friedel_coverage 0.696 _reflns_Friedel_fraction_full 0.838 _reflns_Friedel_fraction_max 0.838 _reflns_number_gt 495 _reflns_number_total 531 _reflns_threshold_expression 'I > 2\s(I)' _iucr_refine_instructions_details ; TITL zif67_p2_w1_70s_0053_a.res in I-43m zif67_p2_w1_70s_0053.res created by SHELXL-2018/3 at 13:42:14 on 02-Oct-2023 REM Old TITL ZIF67_P2_W1_70S_0053 in I-43m REM SHELXT solution in I-43m: R1 0.097, Rweak 0.074, Alpha 0.029 REM 0.000 for 0 systematic absences, Orientation as input REM Flack x = -0.063 ( 0.041 ) from 205 Parsons' quotients REM Formula found by SHELXT: C8 N4 Co CELL 0.71073 17.223013 17.223013 17.223013 90 90 90 ZERR 12 0.000388 0.000388 0.000388 0 0 0 LATT -2 SYMM -X,-Y,+Z SYMM -X,+Y,-Z SYMM +X,-Y,-Z SYMM +Z,+X,+Y SYMM +Z,-X,-Y SYMM -Z,-X,+Y SYMM -Z,+X,-Y SYMM +Y,+Z,+X SYMM -Y,+Z,-X SYMM +Y,-Z,-X SYMM -Y,-Z,+X SYMM +Y,+X,+Z SYMM -Y,-X,+Z SYMM +Y,-X,-Z SYMM -Y,+X,-Z SYMM +X,+Z,+Y SYMM -X,+Z,-Y SYMM -X,-Z,+Y SYMM +X,-Z,-Y SYMM +Z,+Y,+X SYMM +Z,-Y,-X SYMM -Z,+Y,-X SYMM -Z,-Y,+X SFAC C H Co N O UNIT 141 300 12 48 45 DFIX 1.34 0.01 C3 N1 DFIX 1.48 0.01 C2 C1 DFIX 2.16 0.01 C3 C2 EADP C2 N1 C3 DFIX 1.34 0.01 N1 C2 RIGU C2 C1 FLAT C3 N1 C2 C1 L.S. 10 0 0 PLAN 4 CONF BOND list 4 MORE -1 BOND $H ABIN fmap 2 53 acta REM REM REM WGHT 0.065100 2.995900 FVAR 0.31227 CO1 3 0.000000 -0.500000 -0.250000 10.25000 0.08166 0.08166 = 0.07760 0.00000 0.00000 0.00000 N1 4 0.028139 -0.589511 -0.316966 11.00000 0.09465 0.09231 = 0.08094 0.00086 -0.00307 0.00872 C2 1 -0.009676 -0.621036 -0.378964 10.50000 0.09465 0.09231 = 0.08094 0.00086 -0.00307 0.00872 C1 1 -0.084070 -0.588869 -0.411131 10.50000 0.09164 0.11968 = 0.11968 -0.01563 -0.01830 0.01830 PART -1 AFIX 137 1.0831 H1A 2 -0.128443 -0.590116 -0.366582 10.50000 -1.50000 H1B 2 -0.102544 -0.623736 -0.460101 10.50000 -1.50000 H1C 2 -0.074877 -0.529557 -0.429907 10.50000 -1.50000 AFIX 0 PART 0 C3 1 0.093237 -0.634556 -0.307815 11.00000 0.09465 0.09231 = 0.08094 0.00086 -0.00307 0.00872 AFIX 43 1.0770 H3 2 0.136991 -0.626960 -0.263791 11.00000 -1.20000 AFIX 0 HKLF 4 REM zif67_p2_w1_70s_0053_a.res in I-43m REM wR2 = 0.1245, GooF = S = 1.168, Restrained GooF = 1.183 for all data REM R1 = 0.0415 for 495 Fo > 4sig(Fo) and 0.0453 for all 531 data REM 24 parameters refined using 8 restraints END WGHT 0.0576 3.3218 REM Highest difference peak 0.240, deepest hole -0.282, 1-sigma level 0.037 Q1 1 -0.0682 -0.5000 -0.5000 10.25000 0.05 0.24 Q2 1 -0.0555 -0.6808 -0.4492 11.00000 0.05 0.17 Q3 1 0.0000 -0.5000 -0.3619 10.50000 0.05 0.17 Q4 1 -0.0021 -0.6024 -0.2817 11.00000 0.05 0.14 REM The information below was added by Olex2. REM REM R1 = 0.0415 for 495 Fo > 4sig(Fo) and 0.0453 for all 2030 data REM 24 parameters refined using n/a restraints REM Highest difference peak 0.24, deepest hole -0.28 REM Mean Shift 0, Max Shift 0.000. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.0453 REM R1_gt = 0.0415 REM wR_ref = 0.1245 REM GOOF = 1.168 REM Shift_max = 0.000 REM Shift_mean = 0 REM Reflections_all = 2030 REM Reflections_gt = 495 REM Parameters = 24 REM Hole = -0.28 REM Peak = 0.24 REM Flack = 0.13(3) ; _cod_data_source_file d3ce00979c2.cif _cod_data_source_block zif67_p2_w1_70s_0053 _cod_original_cell_volume 5108.9(3) _cod_database_code 7247770 _shelx_shelxl_version_number 2018/3 _chemical_oxdiff_formula 'C12 H20 N4 Co O4' _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. ; _diffrn_orient_matrix_axis[1] matrixX _diffrn_orient_matrix_axis[2] matrixY _diffrn_orient_matrix_axis[3] matrixZ _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups At 1.5 times of: All C(H,H,H) groups 2. Restrained distances C3-N1 1.34 with sigma of 0.01 C2-C1 1.48 with sigma of 0.01 C3-C2 2.16 with sigma of 0.01 N1-C2 1.34 with sigma of 0.01 3. Restrained planarity C3, N1, C2, C1 with sigma of 0.1 4. Uiso/Uaniso restraints and constraints Uanis(C2) = Uanis(N1) = Uanis(C3) 5. Rigid body (RIGU) restrains C2, C1 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004 6. Others Fixed Sof: H1A(0.5) H1B(0.5) H1C(0.5) 7.a Aromatic/amide H refined with riding coordinates: C3(H3) 7.b Idealised Me refined as rotating group: C1(H1A,H1B,H1C) ; _shelx_fab_file ; 0 1 1 220.55 0.29 0 0 2 -76.51 -0.09 1 1 2 -45.84 -3.77 2 2 2 15.70 5.16 0 2 2 -18.84 0.35 0 1 3 -51.25 -1.00 1 2 3 10.23 -6.16 2 3 3 26.02 6.40 0 3 3 22.04 -0.28 1 1 4 31.25 -37.03 2 2 4 11.14 -1.52 0 2 4 -14.89 0.16 3 3 4 12.88 -8.50 1 3 4 0.54 13.77 4 4 4 10.34 -8.81 2 4 4 0.42 5.81 0 4 4 29.45 0.03 0 1 5 64.06 2.62 1 2 5 -9.68 -13.39 2 3 5 -0.46 12.15 0 3 5 -19.18 -0.14 3 4 5 -2.19 3.18 1 4 5 12.60 1.45 4 5 5 3.11 -1.27 2 5 5 4.86 -2.06 0 5 5 25.83 0.41 0 0 6 30.74 1.88 1 1 6 9.68 -8.12 2 2 6 0.12 0.61 0 2 6 -6.71 0.01 3 3 6 -2.35 8.75 1 3 6 -5.00 -0.69 4 4 6 -3.03 4.63 2 4 6 3.65 2.37 0 4 6 0.97 -0.15 5 5 6 -0.29 1.84 3 5 6 -0.65 -3.41 1 5 6 6.12 -0.62 6 6 6 -2.11 6.82 4 6 6 -0.24 -5.30 2 6 6 -2.19 -1.72 0 6 6 2.38 -0.23 0 1 7 -6.04 -0.29 1 2 7 -1.37 3.39 2 3 7 1.56 -2.43 0 3 7 -1.18 0.24 3 4 7 2.82 5.23 1 4 7 0.49 -3.37 4 5 7 -1.07 0.59 2 5 7 1.33 3.62 0 5 7 -2.72 0.02 5 6 7 3.31 -3.28 3 6 7 0.57 0.75 1 6 7 -0.12 3.23 6 7 7 -1.79 10.69 4 7 7 7.71 -4.91 2 7 7 2.67 2.18 0 7 7 2.38 -0.31 0 0 8 -4.85 -0.22 1 1 8 0.40 -0.02 2 2 8 0.18 1.33 0 2 8 3.11 0.10 3 3 8 1.90 -6.63 1 3 8 0.66 4.47 4 4 8 3.37 -1.99 2 4 8 0.12 1.47 0 4 8 -1.09 0.15 5 5 8 9.04 -11.73 3 5 8 -0.38 7.09 1 5 8 1.69 0.49 6 6 8 3.82 -2.74 4 6 8 3.29 -3.14 2 6 8 4.06 5.80 0 6 8 2.64 0.00 7 7 8 1.99 -1.21 5 7 8 -1.36 -1.85 1 7 8 0.04 5.44 8 8 8 0.71 -11.29 6 8 8 -2.48 -1.36 4 8 8 3.42 -2.22 2 8 8 -0.45 -3.95 0 8 8 0.23 -0.09 0 1 9 4.91 0.01 1 2 9 -0.22 0.50 2 3 9 -2.17 -0.11 0 3 9 -3.56 -0.10 3 4 9 -1.95 -4.94 1 4 9 -2.22 4.54 2 5 9 -2.69 3.17 0 5 9 5.05 0.09 5 6 9 -0.49 -6.53 3 6 9 -0.53 1.55 6 7 9 0.45 -2.43 4 7 9 -5.52 1.41 2 7 9 0.93 3.38 0 7 9 -4.58 0.16 7 8 9 -0.35 -4.15 5 8 9 -1.06 3.49 3 8 9 1.32 -1.60 1 8 9 -0.63 5.49 8 9 9 0.73 -0.52 6 9 9 -2.13 -0.65 2 9 9 0.51 -3.69 0 0 10 5.89 0.27 1 1 10 -0.71 -4.11 2 2 10 -4.19 3.00 0 2 10 -2.67 0.20 1 3 10 -2.44 2.83 4 4 10 2.20 1.67 0 4 10 -1.63 0.33 5 5 10 0.22 -1.14 3 5 10 0.58 1.38 1 5 10 0.27 -0.33 6 6 10 -4.62 -0.74 4 6 10 -1.02 1.30 2 6 10 -2.13 3.33 0 6 10 0.71 0.05 7 7 10 0.93 1.90 5 7 10 -3.22 1.80 3 7 10 -1.79 3.99 1 7 10 -3.63 8.23 8 8 10 0.12 1.36 6 8 10 1.75 1.31 4 8 10 -2.37 5.85 2 8 10 -0.39 3.87 0 8 10 -1.42 0.11 9 9 10 0.80 1.88 7 9 10 0.30 1.08 5 9 10 -0.43 1.59 3 9 10 0.16 2.16 1 9 10 3.24 0.40 8 10 10 2.99 0.60 4 10 10 1.82 1.84 2 10 10 -0.55 -1.13 6 10 10 -1.85 0.98 10 10 10 -1.70 0.52 1 2 11 0.49 -1.91 2 3 11 2.58 3.07 0 3 11 2.35 -0.17 3 4 11 0.52 3.09 1 4 11 2.24 -5.40 4 5 11 -1.03 2.43 2 5 11 2.10 -2.71 0 5 11 -1.99 0.18 5 6 11 0.04 -1.42 3 6 11 2.05 2.23 1 6 11 -1.44 -0.31 6 7 11 -2.51 2.63 4 7 11 2.36 -0.60 2 7 11 -1.23 2.31 0 7 11 0.13 -0.04 7 8 11 0.13 1.12 5 8 11 -0.11 -2.08 3 8 11 -0.49 2.80 1 8 11 0.23 1.09 8 9 11 0.67 -0.67 4 9 11 -1.51 0.04 2 9 11 -0.93 0.44 0 9 11 0.86 -0.06 9 10 11 1.03 2.27 7 10 11 0.54 0.31 5 10 11 0.52 1.29 3 10 11 1.33 -0.44 1 10 11 -1.97 1.49 8 11 11 1.32 2.50 6 11 11 1.36 1.46 4 11 11 1.86 0.63 2 11 11 1.11 0.91 0 0 12 -2.43 -0.17 1 1 12 0.40 -1.31 2 2 12 1.06 -0.03 0 2 12 2.25 -0.11 3 3 12 -5.12 3.26 1 3 12 2.49 -3.39 2 4 12 0.50 -0.56 0 4 12 -0.02 -0.16 5 5 12 -0.01 0.56 1 5 12 -0.42 -0.49 6 6 12 -1.65 -0.94 4 6 12 2.26 1.45 2 6 12 -0.37 -1.17 0 6 12 1.18 0.02 7 7 12 -3.53 6.83 5 7 12 0.21 -3.18 3 7 12 1.33 2.06 1 7 12 0.82 -0.64 8 8 12 0.74 -3.36 6 8 12 -0.24 2.59 4 8 12 0.12 -0.08 2 8 12 1.55 -0.23 0 8 12 1.62 0.09 9 9 12 1.24 0.64 7 9 12 0.16 -1.72 5 9 12 -0.16 -0.06 3 9 12 0.05 -0.54 1 9 12 0.08 -1.42 8 10 12 0.40 1.65 6 10 12 -1.64 0.60 4 10 12 1.15 -1.64 2 10 12 -1.56 -1.32 0 10 12 0.23 -0.10 7 11 12 1.19 1.10 5 11 12 -1.34 0.18 3 11 12 -0.79 0.31 1 11 12 2.83 -0.31 4 12 12 -7.27 0.95 2 12 12 -3.94 -0.27 0 1 13 1.20 0.40 1 2 13 -0.56 0.08 2 3 13 -2.24 5.64 3 4 13 -2.05 -4.12 1 4 13 0.38 6.24 4 5 13 -0.39 2.77 2 5 13 1.84 -0.44 0 5 13 0.62 -0.04 5 6 13 -0.22 -2.47 3 6 13 1.39 2.46 1 6 13 0.77 0.08 6 7 13 -0.89 1.13 4 7 13 -0.74 0.78 2 7 13 0.57 0.96 0 7 13 -0.59 0.05 7 8 13 0.35 0.97 5 8 13 0.48 1.73 3 8 13 -0.34 0.24 1 8 13 -1.97 2.32 8 9 13 1.34 -2.56 6 9 13 -1.00 -0.13 4 9 13 -1.07 0.05 2 9 13 -0.12 -2.38 0 9 13 -2.85 0.15 7 10 13 -0.39 -1.98 5 10 13 -3.02 0.21 3 10 13 2.63 -3.40 1 10 13 -0.46 -0.38 4 11 13 2.03 -0.48 2 11 13 -2.35 0.86 0 0 14 5.37 0.00 1 1 14 2.32 -2.83 2 2 14 -3.30 4.52 0 2 14 -1.07 -0.19 3 3 14 -2.72 -1.31 1 3 14 -3.23 6.47 2 4 14 -1.43 1.16 0 4 14 0.54 -0.20 4 4 14 0.23 -2.39 3 5 14 -0.10 -1.20 1 5 14 1.20 1.06 5 5 14 1.44 1.03 4 6 14 -1.20 0.76 2 6 14 3.77 -0.48 0 6 14 -1.92 -0.04 6 6 14 1.02 -3.61 7 7 14 -0.46 -2.84 5 7 14 0.06 -2.35 3 7 14 1.35 -1.06 1 7 14 0.47 0.45 6 8 14 -0.53 -1.39 4 8 14 0.03 -0.54 2 8 14 -3.06 -1.16 0 8 14 1.18 -0.03 5 9 14 -3.63 1.44 3 9 14 -1.18 -3.61 1 9 14 1.01 3.25 4 10 14 1.84 -1.37 2 10 14 6.46 0.45 0 10 14 1.64 0.02 1 11 14 -1.06 1.71 0 1 15 -0.07 0.13 1 2 15 -0.95 -2.16 0 3 15 -0.13 0.08 3 4 15 -1.80 -2.81 1 4 15 -0.65 -0.55 2 5 15 -1.30 -0.88 0 5 15 -1.61 -0.23 4 5 15 -1.79 0.08 5 6 15 0.58 0.75 3 6 15 -2.04 1.32 1 6 15 -0.47 0.87 4 7 15 0.82 0.73 2 7 15 3.33 -0.66 0 7 15 2.38 -0.07 6 7 15 0.64 -0.46 5 8 15 -1.04 -0.06 3 8 15 1.02 -0.94 1 8 15 2.01 -0.24 2 9 15 -1.44 0.82 0 9 15 2.54 0.06 1 1 16 -1.27 0.81 2 2 16 0.62 -5.48 0 2 16 1.16 0.04 1 3 16 4.87 -6.10 3 3 16 -0.87 0.94 2 4 16 -0.31 -2.83 0 4 16 6.28 -0.01 4 4 16 4.10 0.90 5 5 16 -4.76 -0.94 3 5 16 1.42 -1.70 1 5 16 -2.85 1.91 4 6 16 -1.83 0.14 2 6 16 -0.88 2.21 0 6 16 -1.12 -0.06 3 7 16 3.24 3.28 1 7 16 3.20 -1.02 0 8 16 -11.00 0.04 0 1 17 -1.43 -0.07 1 2 17 2.56 -2.10 2 3 17 -0.19 -0.49 0 3 17 11.68 -0.03 3 4 17 5.39 1.82 1 4 17 2.51 0.15 2 5 17 -0.05 -0.16 0 5 17 -2.42 -0.03 0 0 4 118.47 1.55 3 7 8 6.88 -3.90 4 5 9 5.99 -4.67 1 6 9 2.53 5.79 0 9 9 10.89 -0.23 4 9 9 4.37 6.78 3 3 10 1.25 0.89 2 4 10 1.42 -0.35 0 10 10 2.04 -0.05 0 1 11 0.49 -0.25 6 9 11 0.13 0.74 0 11 11 1.23 0.07 10 11 11 -1.85 -2.99 4 4 12 -6.47 -2.05 3 5 12 0.19 -1.31 10 10 12 -0.39 -1.15 9 11 12 0.67 1.42 11 11 12 -1.42 0.47 0 12 12 8.55 0.04 6 12 12 2.43 -1.15 8 12 12 0.49 0.75 10 12 12 1.12 1.69 12 12 12 2.55 -0.35 0 3 13 -0.52 0.13 9 10 13 -0.96 0.61 0 11 13 0.99 0.05 6 11 13 -1.29 0.65 8 11 13 0.69 -0.02 10 11 13 0.37 -0.63 1 12 13 -3.24 -0.51 3 12 13 -8.15 0.88 5 12 13 -2.16 -0.59 7 12 13 1.86 -0.43 9 12 13 0.10 -1.19 11 12 13 1.14 0.92 0 13 13 -1.31 -0.14 2 13 13 -7.59 -0.20 4 13 13 -8.58 -1.11 6 13 13 -0.18 -1.26 8 13 13 -0.44 -0.61 10 13 13 -1.48 -0.63 12 13 13 1.05 -2.46 8 8 14 -2.37 -1.38 7 9 14 -1.52 -1.39 9 9 14 -2.77 1.18 6 10 14 -4.49 1.07 8 10 14 0.77 -0.62 10 10 14 -2.01 -0.16 3 11 14 6.95 -0.24 5 11 14 1.43 2.61 7 11 14 0.95 -1.45 9 11 14 -0.55 -0.17 11 11 14 -0.43 -0.59 0 12 14 -5.88 0.10 2 12 14 -4.22 1.27 4 12 14 3.24 0.09 6 12 14 0.04 0.54 8 12 14 -0.52 0.25 10 12 14 -0.40 -1.10 12 12 14 -1.18 0.48 1 13 14 -0.75 0.09 3 13 14 -1.07 -0.22 5 13 14 -2.39 0.33 7 13 14 0.36 0.11 9 13 14 -0.79 -0.20 11 13 14 -1.57 -0.26 0 14 14 5.86 -0.05 2 14 14 3.06 0.90 4 14 14 -0.97 0.70 6 14 14 0.76 0.16 8 14 14 -0.77 -0.21 10 14 14 0.19 0.40 2 3 15 -5.54 -1.77 7 8 15 -0.67 -1.32 4 9 15 -1.16 0.29 6 9 15 -4.17 0.14 8 9 15 -0.40 1.68 1 10 15 4.97 1.65 3 10 15 1.47 -0.35 5 10 15 -0.90 1.12 7 10 15 0.23 0.71 9 10 15 -0.35 0.36 0 11 15 0.95 0.05 2 11 15 4.89 -0.69 4 11 15 3.90 0.50 6 11 15 0.72 -0.20 8 11 15 -0.02 0.64 10 11 15 1.04 0.10 1 12 15 -2.14 -1.37 3 12 15 3.60 -0.19 5 12 15 0.11 -0.21 7 12 15 0.15 0.29 9 12 15 0.64 1.27 11 12 15 -1.75 0.51 0 13 15 0.79 -0.05 2 13 15 0.46 -0.03 4 13 15 1.93 -0.92 6 13 15 0.33 0.47 8 13 15 -0.49 0.61 10 13 15 1.66 0.35 1 14 15 1.97 -0.32 3 14 15 1.28 0.41 5 14 15 0.13 0.43 7 14 15 0.83 -0.98 9 14 15 0.54 0.35 0 15 15 -0.39 0.01 2 15 15 -0.97 0.13 4 15 15 -0.89 0.53 6 15 15 -0.34 -1.06 0 0 16 -2.12 0.46 6 6 16 0.27 2.19 5 7 16 1.76 0.37 7 7 16 1.75 3.22 2 8 16 6.72 -0.55 4 8 16 -1.22 1.11 6 8 16 0.59 -0.03 8 8 16 4.02 0.20 1 9 16 -7.50 -0.38 3 9 16 -3.15 1.48 5 9 16 -0.60 -1.21 7 9 16 1.34 0.40 9 9 16 2.13 -1.27 0 10 16 2.50 -0.04 2 10 16 -6.01 -0.56 4 10 16 2.16 1.45 6 10 16 0.76 -1.15 8 10 16 0.20 0.51 10 10 16 2.19 -0.88 1 11 16 2.79 -1.51 3 11 16 -0.22 0.23 5 11 16 0.20 -1.06 7 11 16 1.22 0.14 9 11 16 -0.13 -0.11 11 11 16 0.06 0.80 0 12 16 -3.02 0.04 2 12 16 1.74 -0.44 4 12 16 -3.88 -1.28 6 12 16 0.45 0.12 8 12 16 -0.77 -0.32 10 12 16 1.31 1.04 1 13 16 -1.34 -1.06 3 13 16 -1.43 -0.16 5 13 16 -0.31 -0.76 7 13 16 -0.08 0.24 9 13 16 1.43 0.38 0 14 16 0.03 -0.06 2 14 16 -1.83 -0.51 4 14 16 1.46 -0.12 6 14 16 0.05 -0.48 1 15 16 -1.42 0.59 3 15 16 0.38 -0.39 5 15 16 -1.44 -0.36 4 5 17 0.34 -2.56 1 6 17 0.56 -0.05 3 6 17 2.73 -0.10 5 6 17 -1.39 -1.96 0 7 17 -3.82 -0.01 2 7 17 8.10 -0.94 4 7 17 0.86 -0.23 6 7 17 0.94 0.25 1 8 17 -6.24 -1.85 3 8 17 2.53 -0.29 5 8 17 -0.26 -2.60 7 8 17 -0.28 0.38 0 9 17 -14.54 0.01 2 9 17 -2.06 0.00 4 9 17 -1.88 -0.89 6 9 17 0.17 -0.18 8 9 17 0.89 -1.18 1 10 17 -1.49 0.47 3 10 17 -1.33 0.13 5 10 17 1.88 0.41 7 10 17 -0.68 0.22 9 10 17 -1.04 -0.21 0 11 17 3.70 0.04 2 11 17 0.08 0.00 4 11 17 0.43 0.25 6 11 17 0.33 -0.25 8 11 17 -2.29 -0.97 1 12 17 -0.22 0.86 3 12 17 -1.53 0.67 5 12 17 -2.00 -0.33 7 12 17 0.58 -0.33 0 13 17 -2.14 -0.08 2 13 17 -0.60 0.68 4 13 17 -1.41 0.17 6 13 17 0.26 0.76 1 14 17 -0.37 0.63 3 14 17 0.67 -0.42 0 0 18 1.29 0.04 1 1 18 -1.04 -0.64 0 2 18 1.16 0.12 2 2 18 -1.34 -0.74 1 3 18 1.87 1.69 3 3 18 -0.86 1.83 0 4 18 2.52 0.27 2 4 18 -2.79 3.02 4 4 18 2.36 -1.42 1 5 18 -1.66 -0.05 3 5 18 0.76 0.72 5 5 18 -0.26 -1.20 0 6 18 -0.96 0.19 2 6 18 3.59 -1.14 4 6 18 -0.06 1.12 6 6 18 0.47 -0.45 1 7 18 0.30 -0.91 3 7 18 2.51 -0.88 5 7 18 0.26 -0.33 7 7 18 -2.55 -0.80 0 8 18 -6.32 -0.01 2 8 18 1.12 -0.81 4 8 18 -0.84 -1.60 6 8 18 -0.75 0.01 8 8 18 -2.61 -1.23 1 9 18 -1.91 0.62 3 9 18 0.26 -0.16 5 9 18 -0.56 0.65 7 9 18 -1.25 0.57 9 9 18 -0.60 0.58 0 10 18 0.73 -0.03 2 10 18 1.96 0.60 4 10 18 0.50 -0.20 6 10 18 -1.27 1.33 8 10 18 -0.84 0.41 1 11 18 1.50 0.72 3 11 18 0.81 -0.93 5 11 18 -0.24 0.12 7 11 18 -0.85 -0.64 0 12 18 0.19 -0.02 2 12 18 0.09 0.29 4 12 18 0.14 0.49 6 12 18 0.83 -0.36 1 13 18 0.12 1.11 3 13 18 1.07 0.07 0 0 0 0.00 0.00 # SQUEEZE RESULTS (Version = 181221) # Note: Data are Listed for all Voids in the P1 Unit Cell # i.e. Centre of Gravity, Solvent Accessible Volume, # Recovered number of Electrons in the Void and # Details about the Squeezed Material ; _platon_squeeze_void_probe_radius 1.20 _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _oxdiff_exptl_absorpt_empirical_full_max 4.269 _oxdiff_exptl_absorpt_empirical_full_min 0.479 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, z' '-x, y, -z' 'x, -y, -z' 'z, x, y' 'z, -x, -y' '-z, -x, y' '-z, x, -y' 'y, z, x' '-y, z, -x' 'y, -z, -x' '-y, -z, x' 'y, x, z' '-y, -x, z' 'y, -x, -z' '-y, x, -z' 'x, z, y' '-x, z, -y' '-x, -z, y' 'x, -z, -y' 'z, y, x' 'z, -y, -x' '-z, y, -x' '-z, -y, x' 'x+1/2, y+1/2, z+1/2' '-x+1/2, -y+1/2, z+1/2' '-x+1/2, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z+1/2' 'z+1/2, x+1/2, y+1/2' 'z+1/2, -x+1/2, -y+1/2' '-z+1/2, -x+1/2, y+1/2' '-z+1/2, x+1/2, -y+1/2' 'y+1/2, z+1/2, x+1/2' '-y+1/2, z+1/2, -x+1/2' 'y+1/2, -z+1/2, -x+1/2' '-y+1/2, -z+1/2, x+1/2' 'y+1/2, x+1/2, z+1/2' '-y+1/2, -x+1/2, z+1/2' 'y+1/2, -x+1/2, -z+1/2' '-y+1/2, x+1/2, -z+1/2' 'x+1/2, z+1/2, y+1/2' '-x+1/2, z+1/2, -y+1/2' '-x+1/2, -z+1/2, y+1/2' 'x+1/2, -z+1/2, -y+1/2' 'z+1/2, y+1/2, x+1/2' 'z+1/2, -y+1/2, -x+1/2' '-z+1/2, y+1/2, -x+1/2' '-z+1/2, -y+1/2, x+1/2' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Co1 Co 0.000000 -0.500000 -0.250000 0.0803(8) Uani 1 4 d S T P . . N1 N 0.0281(3) -0.5895(4) -0.3170(3) 0.0893(14) Uani 1 1 d D . . . . C2 C -0.0097(6) -0.6210(3) -0.3790(3) 0.0893(14) Uani 1 2 d DS T P . . C1 C -0.0841(6) -0.5889(6) -0.4111(6) 0.110(4) Uani 1 2 d DS T P . . H1A H -0.128443 -0.590116 -0.366582 0.165 Uiso 0.5 1 calc R U P A -1 H1B H -0.102544 -0.623736 -0.460101 0.165 Uiso 0.5 1 calc R U P A -1 H1C H -0.074877 -0.529557 -0.429907 0.165 Uiso 0.5 1 calc R U P A -1 C3 C 0.0932(4) -0.6346(4) -0.3078(4) 0.0893(14) Uani 1 1 d D . . . . H3 H 0.136991 -0.626960 -0.263791 0.107 Uiso 1 1 calc R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Co1 0.0817(9) 0.0817(9) 0.0776(11) 0.000 0.000 0.000 N1 0.095(3) 0.092(3) 0.081(2) 0.001(2) -0.003(2) 0.009(2) C2 0.095(3) 0.092(3) 0.081(2) 0.001(2) -0.003(2) 0.009(2) C1 0.092(7) 0.120(5) 0.120(5) -0.016(8) -0.018(5) 0.018(5) C3 0.095(3) 0.092(3) 0.081(2) 0.001(2) -0.003(2) 0.009(2) 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' Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _axis.id _axis.type _axis.equipment _axis.parity _axis.depends_on _axis.zero _axis.vector[1] _axis.vector[2] _axis.vector[3] source . source . . . 1.00000000 0.00000000 0.00000000 omega rotation goniometer -1 . 0.00000000 0.00000000 0.00000000 1.00000000 kappa rotation goniometer -1 omega 0.00000000 -0.76604444 0.00000000 0.64278761 phi rotation goniometer -1 kappa . 0.00000000 0.00000000 1.00000000 theta rotation goniometer -1 . 0.00000000 0.00000000 0.00000000 1.00000000 matrixX general general . phi . 1.00000000 0.00000000 0.00000000 matrixY general general . phi . 0.00000000 1.00000000 0.00000000 matrixZ general general . phi . 0.00000000 0.00000000 1.00000000 dacX translation general . phi . 0.00000000 1.00000000 0.00000000 dacY translation general . phi . -1.00000000 0.00000000 0.00000000 dacZ translation general . phi . 0.00000000 0.00000000 1.00000000 loop_ _diffrn_refln_index_h _diffrn_refln_index_k _diffrn_refln_index_l _diffrn_refln_intensity_net _diffrn_refln_intensity_u _diffrn_refln_scale_group_code -1 0 1 1816.51 123.491 1 0 0 2 3141.2 209.466 1 0 0 -2 3019.82 209.429 1 1 -1 2 2987.52 197.658 1 -2 1 1 3011.88 197.592 1 -1 2 1 2941.05 197.792 1 -1 1 2 2915.47 197.716 1 1 -2 -1 2946.77 197.702 1 1 -1 -2 2748.59 197.659 1 -1 -1 2 2821.76 197.643 1 -1 1 -2 2882.46 197.613 1 2 0 -2 1675.22 123.662 1 0 -2 2 1953.66 123.665 1 -2 0 2 1824.42 123.689 1 -2 2 2 9999.99 652.874 1 2 -2 -2 9215.37 652.822 1 -1 0 -3 2649.33 185.138 1 1 0 3 2742.63 185.365 1 -1 0 3 2711.33 185.061 1 1 0 -3 2776.06 185.017 1 0 1 -3 2733.27 188.841 1 0 -1 -3 2772.5 189.062 1 0 -1 3 2820.98 188.879 1 0 1 3 2779.98 189.193 1 -3 2 1 322.553 19.5743 1 2 1 -3 273.116 19.6009 1 1 -3 2 312.286 19.5042 1 -2 1 3 304.196 19.7202 1 -2 1 -3 284.845 19.7718 1 3 -2 -1 266.627 19.5204 1 1 -3 -2 273.532 19.9222 1 2 -1 -3 276.588 19.697 1 -2 -1 3 251.012 19.642 1 -1 2 3 296.462 18.3625 1 1 -2 3 293.94 18.0161 1 3 -1 -2 261.775 17.9849 1 2 -3 -1 264.795 17.9792 1 1 -2 -3 239.15 18.1199 1 -1 2 -3 229.974 17.9153 1 -1 -2 3 244.228 18.0104 1 3 -3 0 948.913 59.4702 1 3 0 -3 777.832 59.6272 1 0 -3 3 850.732 59.6225 1 -3 3 0 921.369 59.5004 1 -3 0 3 870.531 59.7426 1 -3 3 2 3521.66 220.039 1 2 -3 3 3269.29 219.847 1 -2 3 3 3264.59 220.238 1 -3 2 3 3327.03 220.04 1 -2 3 -3 3051.24 219.759 1 3 -2 -3 3129.6 219.929 1 -3 2 -3 3479.84 220.035 1 3 -3 -2 3127.46 219.87 1 2 -3 -3 2930.58 219.974 1 -2 0 -4 115.133 7.7865 1 2 0 -4 89.4878 7.17982 1 -2 0 4 100.817 7.3091 1 1 1 -4 871.889 58.7896 1 1 -1 4 923.682 58.9836 1 -1 -1 -4 904.946 59.2146 1 -1 1 4 895.544 59.0345 1 -1 -1 4 825.828 58.8283 1 -1 1 -4 853.406 58.8346 1 1 -1 -4 751.872 58.8234 1 -4 3 1 2365.94 151.235 1 3 1 -4 2084.57 151.321 1 1 -4 3 2252.37 151.198 1 -3 1 4 2310.09 151.479 1 3 -1 -4 2114.09 151.387 1 1 -4 -3 2292.61 151.885 1 4 -3 -1 2095.95 151.155 1 -3 -1 4 2125.28 151.406 1 -3 1 -4 2367.13 151.773 1 0 -2 4 96.0496 6.49683 1 0 2 4 79.3929 6.97819 1 0 -2 -4 95.7833 6.87354 1 0 2 -4 88.8594 6.3899 1 2 -2 4 1161.67 81.1334 1 -4 2 2 1107.84 80.9124 1 -2 2 4 1166.02 81.224 1 4 -2 -2 1217.96 80.9117 1 2 -4 -2 1240.35 81.0817 1 -2 -2 4 1222.82 81.0488 1 2 -2 -4 1159.84 81.0704 1 -2 2 -4 1221.98 80.964 1 -3 4 1 2484.72 152.3 1 -4 1 3 2367.66 152.206 1 -1 3 4 2312.66 152.913 1 1 -3 4 2560.25 152.206 1 1 -3 -4 2063.95 152.434 1 3 -4 -1 2183.08 152.022 1 -1 3 -4 1981.34 152.017 1 -1 -3 4 2118.38 152.173 1 4 -1 -3 2044.23 152.105 1 -3 3 4 1949.18 130.755 1 -4 3 3 1953.4 130.567 1 -3 4 3 1902.31 130.816 1 3 -4 3 2184.7 130.389 1 -3 4 -3 1727.37 130.197 1 3 -3 -4 1814.83 130.53 1 3 -4 -3 1756.4 130.475 1 4 -3 -3 1942.5 130.487 1 -4 3 -3 2076.79 130.459 1 -3 3 -4 1849.06 130.371 1 -4 0 4 5850.17 410.514 1 4 -4 0 5777.27 410.191 1 0 -4 4 6342.53 410.455 1 -4 4 0 6345.11 410.295 1 4 0 -4 5872.81 410.483 1 -2 4 4 1850.48 133.119 1 -4 4 2 2081.74 132.625 1 2 -4 4 1989.98 132.473 1 -4 2 4 2043.74 132.708 1 -4 2 -4 2075.54 132.905 1 4 -2 -4 1915.31 132.59 1 2 -4 -4 1804.38 132.736 1 4 -4 -2 2013.79 132.48 1 -2 4 -4 1738.55 132.358 1 -4 4 4 8952.78 586.779 1 4 -4 -4 8684 586.516 1 -4 4 -4 8248.73 586.236 1 1 0 5 78.6454 6.24879 1 1 0 -5 76.8312 5.81171 1 -1 0 5 82.6503 5.9787 1 -1 0 -5 77.2953 5.90898 1 -5 3 0 238.84 15.4964 1 3 0 -5 207.122 15.6676 1 -3 0 5 228.755 15.8114 1 0 -1 -5 77.5042 5.99568 1 0 -1 5 81.8985 5.96301 1 0 1 -5 76.7084 5.78814 1 0 1 5 81.4493 6.33188 1 -2 -1 -5 415.249 27.006 1 2 1 -5 387.965 26.2541 1 -2 1 5 419.535 26.4921 1 2 -1 5 390.983 26.6503 1 -2 1 -5 353.199 26.3192 1 -2 -1 5 354.553 26.3032 1 2 -1 -5 344.875 26.2531 1 -4 1 5 260.61 17.4936 1 1 -5 4 250.092 17.1945 1 -5 4 1 256.563 17.1665 1 1 -5 -4 245.519 17.9656 1 -4 -1 5 263.062 17.4618 1 4 -1 -5 235.084 17.2824 1 5 -4 -1 238.346 17.0832 1 -5 4 -1 236.803 16.9574 1 1 2 -5 399.039 27.1777 1 -1 -2 -5 433.833 27.9524 1 -1 2 5 416.833 27.6665 1 1 -2 5 437.907 27.3849 1 -1 -2 5 352.633 27.2098 1 -1 2 -5 332.393 27.0984 1 2 -5 -1 440.284 27.5541 1 1 -2 -5 348.193 27.3004 1 -3 2 5 1181.91 78.8694 1 2 -5 3 1166.99 78.3748 1 -5 3 2 1181.7 78.5278 1 5 -3 -2 1115.79 78.4475 1 2 -5 -3 1215.38 78.921 1 3 -2 -5 1106.3 78.63 1 -3 -2 5 1144.6 78.788 1 -3 2 -5 1097.23 78.6168 1 0 -3 -5 232.937 16.3187 1 0 3 -5 206.029 15.6303 1 0 -3 5 220.669 15.7552 1 3 -5 0 243.24 15.5521 1 -5 2 3 1137.81 79.4198 1 -2 3 5 1149.02 79.9553 1 2 -3 5 1229.6 79.5416 1 -2 -3 5 1216.09 79.5785 1 5 -2 -3 1099.94 79.3238 1 2 -3 -5 1156.33 79.6064 1 3 -5 -2 1204.63 79.4126 1 -2 3 -5 1113.22 79.3279 1 -4 3 5 353.942 22.9287 1 -5 4 3 360.116 22.6953 1 3 -5 4 348.034 22.4135 1 -3 5 4 315.295 23.2842 1 -4 3 -5 310.04 22.5207 1 -5 4 -3 326.659 22.3337 1 3 -5 -4 301.736 22.666 1 5 -4 -3 320.378 22.5027 1 4 -3 -5 296.034 22.5856 1 1 -4 5 237.292 16.2645 1 -5 1 4 251.021 16.4452 1 -1 -4 5 210.265 16.2855 1 4 -5 -1 247.576 16.085 1 5 -1 -4 225.038 16.2309 1 -1 4 -5 221.801 16.1187 1 1 -4 -5 239.536 16.72 1 -4 5 3 348 23.6166 1 3 -4 5 351.347 23.359 1 -3 4 5 336.859 23.7988 1 -5 3 4 350.516 23.3865 1 4 -5 -3 320.668 23.2171 1 5 -3 -4 323.917 23.2427 1 -5 3 -4 352.219 23.4494 1 -3 4 -5 304.912 23.0669 1 -5 5 0 278.92 18.9856 1 -5 0 5 270.815 19.3004 1 0 -5 5 275.132 19.1737 1 2 -5 5 22.8588 2.03879 1 -5 5 2 22.9756 2.24244 1 -5 2 5 23.0451 2.29932 1 -4 5 5 961.471 61.278 1 -5 5 4 998.949 61.0397 1 -5 4 5 1007.24 61.0845 1 5 -4 -5 872.25 60.6693 1 -5 5 -4 764.453 60.2558 1 5 -5 -4 882.363 60.6255 1 -4 5 -5 793.273 60.3351 1 -5 4 -5 853.615 60.4702 1 4 -5 -5 845.36 60.7053 1 0 0 -6 359.67 26.6464 1 0 0 6 410.175 26.9838 1 -2 0 6 543.35 36.2578 1 2 0 -6 485.978 36.0507 1 -2 0 -6 543.813 36.3735 1 4 0 -6 243.524 17.0008 1 -4 0 6 236.572 17.1028 1 -6 4 0 247.582 16.7021 1 -1 1 6 491.045 33.8947 1 1 -1 6 504.14 33.9049 1 -1 -1 -6 482.637 33.81 1 1 1 -6 464.03 33.5003 1 -1 -1 6 518.302 33.7446 1 1 -1 -6 465.543 33.6009 1 -1 1 -6 512.051 33.65 1 1 1 6 457.777 34.3018 1 3 1 -6 138.73 9.42193 1 -3 1 6 133.198 9.65536 1 -6 3 1 139.018 9.20211 1 3 -1 -6 124.874 9.45969 1 -3 1 -6 122.894 9.59744 1 -3 -1 6 125.979 9.48466 1 -6 5 1 620.051 41.2803 1 1 -6 5 621.576 41.331 1 -5 1 6 622.729 41.6252 1 -5 -1 6 598.106 41.6133 1 -6 5 -1 558.708 41.0325 1 5 -1 -6 592.737 41.46 1 0 2 -6 544.61 36.2381 1 0 -2 -6 513.134 36.5455 1 0 2 6 512.682 37.0756 1 0 -2 6 535.244 36.3318 1 2 -2 6 3584.58 229.207 1 -6 2 2 3402.98 228.847 1 2 2 -6 3362.94 228.916 1 -2 2 6 3411.84 229.319 1 2 -2 -6 3321.84 228.993 1 -2 -2 6 3435.16 228.986 1 2 -6 -2 3338.35 229.376 1 -2 2 -6 3048.81 228.854 1 2 -6 4 308.005 20.2291 1 -6 4 2 333.079 20.406 1 -4 2 6 304.526 20.7168 1 -4 2 -6 302.32 20.7293 1 2 -6 -4 261.651 20.8024 1 -4 -2 6 286.04 20.7083 1 4 -2 -6 258.062 20.471 1 1 -3 6 147.929 9.47394 1 1 3 -6 115.594 9.2223 1 -1 3 6 128.996 10.3706 1 -1 -3 -6 140.353 10.3282 1 3 -6 -1 141.551 9.32078 1 -1 3 -6 117.865 9.17807 1 1 -3 -6 109.181 9.40049 1 -1 -3 6 135.867 9.40927 1 -3 3 6 427.271 27.11 1 3 -3 6 425.519 27.0372 1 -6 3 3 409.212 26.6205 1 3 -6 -3 364.893 26.6671 1 -3 -3 6 388.665 26.7757 1 3 -3 -6 329.654 26.602 1 -3 3 -6 346.455 26.4817 1 -5 3 6 699.732 47.742 1 3 -6 5 721.371 47.3011 1 -6 5 3 766.206 47.6004 1 3 -6 -5 641.157 47.6346 1 -5 3 -6 641.958 47.4928 1 5 -3 -6 657.134 47.4726 1 6 -5 -3 707.867 47.3258 1 0 4 -6 215.648 16.6243 1 0 -4 -6 251.38 17.5648 1 4 -6 0 251.11 16.4647 1 0 -4 6 240.619 16.8222 1 -6 2 4 315.215 19.226 1 -2 4 6 278.93 20.0572 1 2 -4 6 311.604 19.2 1 -2 -4 6 275.642 19.1912 1 2 -4 -6 238.973 19.2005 1 -2 4 -6 231.604 18.8608 1 4 -6 -2 262.946 18.9285 1 -6 4 4 298.54 20.5995 1 -4 4 6 295.327 20.9886 1 4 -6 -4 282.134 20.4671 1 6 -4 -4 303.883 20.417 1 -6 4 -4 327.492 20.5194 1 -4 4 -6 266.051 20.2813 1 4 -4 -6 282.555 20.5404 1 1 -5 6 613.299 42.616 1 -6 1 5 618.173 42.7599 1 1 -5 -6 586.245 43.1061 1 -1 -5 6 635.319 42.735 1 5 -6 -1 645.715 42.3785 1 -3 5 6 627.496 46.4134 1 3 -5 6 678.968 45.3598 1 -6 3 5 712.448 45.5256 1 -5 6 3 745.991 45.8337 1 3 -5 -6 621.834 45.4369 1 -3 5 -6 574.503 45.0321 1 5 -6 -3 627.538 45.177 1 6 -3 -5 688.314 45.331 1 -6 5 5 964.518 60.6212 1 -5 5 6 924.428 60.8343 1 -5 6 5 904.511 60.8889 1 -6 5 -5 768.191 59.8555 1 6 -5 -5 899.201 60.2294 1 5 -6 -5 865.033 60.2198 1 5 -5 -6 891.65 60.2906 1 -5 5 -6 813.216 59.9324 1 -6 0 6 522.328 35.209 1 0 -6 6 469.887 34.9428 1 -6 6 0 529.785 34.8758 1 -6 6 2 2023.23 130.073 1 -6 2 6 1977.65 130.124 1 2 -6 -6 1759.42 130.216 1 6 -2 -6 1857.93 129.898 1 -6 6 4 700.878 47.4578 1 4 -6 6 711.808 47.2434 1 -6 4 6 726.863 47.4756 1 4 -6 -6 633.359 47.1711 1 6 -4 -6 669.293 47.1147 1 6 -6 -4 693.964 47.0554 1 -6 4 -6 661.088 46.9942 1 -6 6 6 4058.11 256.795 1 6 -6 -6 3636.5 256.1 1 -6 6 -6 3593.28 255.717 1 -1 0 7 499.513 32.9166 1 1 0 -7 467.892 32.5444 1 -1 0 -7 437.461 32.5747 1 1 0 7 477.731 33.1783 1 -3 0 -7 125.422 9.73241 1 3 0 -7 122.276 9.19943 1 -3 0 7 134.329 9.49 1 5 0 -7 141.605 10.3561 1 -7 5 0 145.412 10.01 1 0 -1 7 494.315 32.2754 1 0 1 -7 463.213 31.9196 1 0 1 7 456.244 32.5115 1 0 -1 -7 433.218 31.9987 1 -2 -1 -7 415.859 29.3963 1 2 -1 7 429.173 29.7388 1 -2 1 7 446.321 29.3817 1 2 1 -7 402.325 28.9421 1 2 -1 -7 399.67 29.0158 1 -2 -1 7 443.269 29.2154 1 -2 1 -7 394.997 29.0335 1 4 1 -7 329.484 26.0437 1 -7 4 1 396.171 25.9321 1 -4 1 7 366.102 26.3422 1 4 -1 -7 370.389 26.1062 1 -4 1 -7 407.471 26.6347 1 -4 -1 7 388.7 26.2779 1 -7 6 1 268.054 18.159 1 -7 6 -1 247.428 17.9182 1 -6 -1 7 267.572 18.6813 1 -1 2 7 405.913 28.9386 1 1 2 -7 406.782 28.2742 1 1 -2 7 435.483 28.655 1 -1 -2 -7 423.813 28.822 1 1 -2 -7 369.028 28.4081 1 -1 2 -7 380.688 28.2468 1 -1 -2 7 444.7 28.5586 1 3 2 -7 415.918 28.4812 1 -7 3 2 450.469 28.4076 1 -3 2 7 445.722 28.9554 1 3 -2 -7 380.129 28.4924 1 -3 2 -7 381.658 28.4843 1 -3 -2 7 394.106 28.5777 1 -5 2 7 122.529 7.89792 1 -7 5 -2 92.5325 6.95642 1 5 -2 -7 91.1139 7.46001 1 -5 2 -7 97.1302 7.78786 1 2 -7 -5 102.935 8.20653 1 3 -7 0 142.204 9.55113 1 0 -3 7 134.878 9.43559 1 0 3 -7 119.986 9.15414 1 0 -3 -7 114.139 9.55129 1 2 -3 7 427.088 27.9802 1 -7 2 3 371.355 27.6917 1 -2 3 7 423.566 28.484 1 2 3 -7 385.903 27.6072 1 -2 -3 7 398.97 27.7663 1 -2 3 -7 357.92 27.5202 1 3 -7 -2 432.848 27.8417 1 -7 4 3 258.774 15.9331 1 -4 3 7 243.381 16.4356 1 3 -7 4 245.469 15.6024 1 -4 -3 7 189.341 16.0292 1 -4 3 -7 216.617 15.8798 1 3 -7 -4 204.717 16.0299 1 4 -3 -7 221.567 16.0288 1 -7 6 3 341.379 22.9198 1 3 -7 6 317.332 22.6084 1 3 -7 -6 296.387 22.9642 1 -6 3 -7 347.379 23.0218 1 7 -6 -3 328.131 22.566 1 1 4 -7 333.226 25.8343 1 4 -7 1 368.669 25.5855 1 1 -4 7 388.488 26.1392 1 4 -7 -1 401.109 25.821 1 -1 -4 7 391.486 26.08 1 -1 4 -7 373.698 25.8516 1 1 -4 -7 363.077 26.3775 1 -3 4 7 242.78 16.5134 1 -7 3 4 245.242 15.5994 1 3 -4 7 233.295 15.9354 1 -3 4 -7 199.126 15.333 1 3 -4 -7 200.743 15.5842 1 -3 -4 7 205.381 15.6406 1 4 -7 -3 216.398 15.486 1 4 -7 5 369.525 24.5486 1 -7 5 4 390.332 24.9016 1 5 -4 -7 349.624 24.8213 1 7 -5 -4 350.927 24.6205 1 4 -7 -5 340.337 24.8279 1 -5 4 -7 335.789 24.6097 1 0 -5 7 152.405 11.0454 1 5 -7 0 153.906 10.601 1 2 -5 7 110.125 7.25025 1 2 -5 -7 91.2113 7.44212 1 -2 5 -7 87.505 6.91258 1 5 -7 -2 94.7208 6.91137 1 -2 -5 7 95.7045 7.28047 1 4 -5 7 400.376 25.5836 1 -7 4 5 400.272 25.2878 1 7 -4 -5 332.205 25.0315 1 5 -7 -4 356.289 24.9897 1 4 -5 -7 342.988 25.1034 1 -4 5 -7 330.529 24.8059 1 -7 6 5 237.521 16.7212 1 5 -7 -6 228.559 16.4742 1 -6 5 -7 228.796 16.1465 1 1 -6 7 257.94 18.4602 1 6 -7 -1 275.235 18.0956 1 -1 -6 7 266.027 18.5224 1 1 -6 -7 248.222 19.0965 1 -6 7 3 333.842 23.0863 1 -7 3 6 307.728 22.7226 1 3 -6 7 328.774 22.6058 1 6 -7 -3 334.865 22.3512 1 7 -3 -6 342.293 22.5315 1 3 -6 -7 307.04 22.7118 1 -3 6 -7 302.127 22.2357 1 -6 7 5 206.484 16.5906 1 -5 6 -7 220.71 15.6256 1 7 -5 -6 245.424 15.981 1 -7 5 -6 228.345 15.6967 1 0 -7 7 307.796 21.6074 1 -7 0 7 306.048 21.7638 1 2 -7 7 136.782 9.43538 1 -7 7 2 129.656 9.56012 1 -7 2 7 132.918 9.74435 1 7 -7 -2 115.358 9.15839 1 4 -7 7 264.921 18.9721 1 -7 4 7 248.461 19.0803 1 -7 7 4 250.984 19.1077 1 -7 4 -7 282.465 18.8688 1 7 -7 -4 289.562 18.7243 1 -7 6 7 324.083 22.2786 1 -6 7 7 310.57 22.6662 1 7 -6 -7 297.013 21.5759 1 6 -7 -7 309.534 21.6779 1 7 -7 -6 304.3 21.6113 1 -7 6 -7 304.412 21.2545 1 0 0 8 2709.13 179.874 1 0 0 -8 2552.57 179.277 1 2 0 -8 53.6772 4.39958 1 -2 0 8 56.6983 4.76495 1 2 0 8 59.1404 6.62904 1 -2 0 -8 48.0998 4.58847 1 -4 0 -8 1956.28 134.182 1 -8 6 0 469.947 33.1498 1 -6 0 8 533.186 33.9325 1 6 0 -8 449.332 33.4575 1 1 1 -8 50.1996 4.10696 1 -1 -1 -8 46.0661 4.36203 1 1 -1 8 45.4163 4.69616 1 -1 1 8 52.046 4.90131 1 1 1 8 52.8068 5.70257 1 -1 1 -8 50.6438 4.10297 1 -1 -1 8 56.1396 4.50563 1 1 -1 -8 52.5924 4.25784 1 -3 -1 -8 321.368 20.3277 1 3 1 -8 263.309 19.3318 1 3 -1 -8 258.095 19.3702 1 -3 1 -8 272.144 19.624 1 -3 -1 8 270.21 19.5854 1 -8 5 1 428.98 32.8642 1 -5 1 8 523.347 33.553 1 5 1 -8 480.716 33.0959 1 -5 1 -8 401.976 33.5751 1 -8 5 -1 516.953 32.7458 1 -5 -1 8 518.454 33.4377 1 -7 1 8 237.542 16.9076 1 1 -8 7 244.903 16.582 1 -8 7 1 242.227 16.4811 1 7 -1 -8 210.889 16.5157 1 0 2 8 54.0249 5.84904 1 0 -2 8 60.67 4.87632 1 0 2 -8 50.2803 4.18457 1 0 -2 -8 49.5594 4.49691 1 -2 -2 -8 581.958 41.7353 1 -2 2 8 627.633 41.827 1 2 2 -8 632.864 41.1024 1 2 -2 8 610.402 41.6804 1 2 -2 -8 563.818 41.186 1 -2 -2 8 607.605 41.2676 1 -2 2 -8 549.422 41.0333 1 -8 4 2 453.71 30.8752 1 -4 2 -8 441.265 31.1679 1 2 -8 6 39.352 3.15563 1 -8 6 2 40.0434 3.1778 1 -6 2 8 42.2235 3.90616 1 6 -2 -8 32.9542 3.19049 1 -6 2 -8 32.9029 3.89455 1 2 -8 -6 30.9626 4.08004 1 -1 -3 -8 288.914 20.7316 1 1 -3 8 303.559 20.4914 1 1 3 -8 273.238 20.0019 1 -1 -3 8 307.396 20.3712 1 1 -3 -8 271.586 20.3161 1 -1 3 -8 278.263 20.0556 1 3 3 -8 163.428 12.4808 1 -8 3 3 171.289 12.512 1 3 -3 8 185.63 13.4817 1 -3 3 -8 182.745 12.528 1 -8 5 3 140.091 9.75319 1 3 -8 5 125.368 9.44534 1 -5 3 8 133.919 10.3746 1 -5 3 -8 136.422 9.79122 1 3 -8 -5 134.506 10.139 1 0 4 -8 1849 137.299 1 0 -4 8 2058.87 137.678 1 4 -8 0 2136.98 137.249 1 2 -4 8 459.909 30.7614 1 4 -8 -2 410.713 30.2534 1 -2 -4 8 469.948 30.5722 1 -2 4 -8 412.235 30.2039 1 4 -8 4 1424.58 100.514 1 -4 4 8 1536.27 101.704 1 -8 4 4 1540.96 100.994 1 4 -8 -4 1449.01 101.054 1 -4 4 -8 1437 100.843 1 -6 4 8 97.7866 8.23994 1 4 -8 6 99.5092 7.48616 1 -8 6 4 102.89 7.90621 1 8 -6 -4 104.751 7.50521 1 4 -8 -6 102.483 7.86024 1 6 -4 -8 105.182 7.72353 1 1 -5 8 519.056 34.7527 1 5 -8 -1 520.711 34.3541 1 -1 -5 8 512.742 34.7493 1 -1 5 -8 450.055 34.3912 1 -8 3 5 133.571 9.58274 1 3 -5 8 127.068 9.89007 1 -3 5 8 119.454 11.0546 1 5 -8 -3 135.85 9.34342 1 -3 5 -8 129.05 9.24379 1 -8 5 5 126.984 9.89344 1 -5 5 8 121.451 10.5624 1 -8 5 -5 142.874 9.65653 1 5 -8 -5 132.222 9.72559 1 5 -5 -8 137.342 9.80423 1 -7 5 8 255.794 18.7707 1 -8 7 5 279.707 18.6675 1 8 -7 -5 247.225 18.0147 1 7 -5 -8 245.925 18.1526 1 6 -8 0 488.722 33.6039 1 0 -6 8 494.782 34.1527 1 2 -6 8 41.0236 3.65408 1 6 -8 -2 39.408 3.0564 1 2 -6 -8 35.3488 3.90276 1 -2 6 -8 33.1549 2.99308 1 4 -6 8 94.9091 7.61401 1 -4 6 8 83.6616 8.30608 1 6 -8 -4 98.4989 6.88579 1 4 -6 -8 92.4198 7.05348 1 -4 6 -8 88.8031 6.61691 1 -6 6 8 130.45 10.4343 1 -6 6 -8 129.956 9.15022 1 -8 6 -6 129.908 9.02587 1 6 -8 -6 122.634 9.43161 1 6 -6 -8 132.232 9.52249 1 -8 1 7 252.242 17.4652 1 1 -7 8 256.673 17.3105 1 -1 -7 8 220.051 17.2175 1 7 -8 -1 238.517 16.7408 1 -5 7 8 241.973 19.1945 1 -8 5 7 268.621 18.1828 1 8 -5 -7 251.034 17.7521 1 -8 5 -7 255.659 17.6187 1 5 -7 -8 231.304 17.8443 1 7 -8 -5 257.653 17.7142 1 -7 8 7 192.374 15.0032 1 -8 7 7 218.021 14.7572 1 -7 7 8 200.617 14.9295 1 -8 7 -7 173.73 13.2475 1 7 -7 -8 191.284 13.792 1 -7 7 -8 185.866 13.3606 1 7 -8 -7 196.1 13.8312 1 8 -7 -7 187.867 13.7613 1 -8 0 8 1424.02 110.408 1 0 -8 8 1798.72 110.323 1 -8 2 8 355.615 23.1194 1 2 -8 8 333.01 22.8074 1 -8 8 2 331.957 22.9769 1 2 -8 -8 271.802 23.2248 1 4 -8 8 1055.41 73.1247 1 -8 4 8 1112.85 73.3264 1 -8 8 4 1108.97 73.4784 1 8 -4 -8 1052.2 72.8826 1 4 -8 -8 964.359 73.0811 1 8 -8 -4 1072.53 72.7254 1 -8 4 -8 1076.24 73.0818 1 -8 6 8 214.993 14.59 1 -6 8 8 177.975 15.4386 1 6 -8 -8 195.966 13.8198 1 -8 6 -8 177.364 13.3529 1 -8 8 8 614.653 43.1804 1 8 -8 -8 599.774 41.9241 1 1 0 9 394.654 30.4467 1 -1 0 -9 457.249 29.7921 1 -3 0 -9 233.055 16.9516 1 -3 0 9 233.9 17.0071 1 -5 0 9 78.8299 6.40705 1 5 0 -9 76.4157 6.0114 1 -9 7 0 234.961 16.8476 1 -7 0 9 249.173 17.6102 1 0 -1 9 523.883 34.4612 1 0 1 -9 451.261 33.6557 1 2 -1 9 364.202 26.9314 1 -2 1 9 402.866 26.558 1 -2 -1 -9 357.14 26.2288 1 -2 1 -9 361.881 25.9453 1 -4 1 9 107.587 9.63719 1 4 -1 -9 128.398 9.31627 1 -4 1 -9 130.899 9.7088 1 -4 -1 9 136.855 9.72157 1 -9 8 1 128.978 9.99797 1 1 -9 8 129.69 10.0249 1 -8 1 9 148.653 10.6822 1 1 -2 9 395.027 27.4263 1 1 2 -9 386.076 26.825 1 -1 2 9 389.439 27.947 1 -1 2 -9 373.757 26.8335 1 -3 2 9 135.745 9.55244 1 3 -2 9 119.885 10.3961 1 -3 -2 9 126.479 9.14523 1 3 -2 -9 105.013 8.70128 1 -3 2 -9 108.83 8.72411 1 -5 2 9 228.082 17.2249 1 -9 5 2 247.485 16.5826 1 5 -2 -9 221.832 16.6751 1 -5 -2 9 252.375 17.0913 1 -5 2 -9 230.292 16.9749 1 -9 7 2 277.898 19.5571 1 2 -9 7 281.72 19.5927 1 -7 2 9 271.238 20.1456 1 7 -2 -9 282.92 19.643 1 0 -3 9 215.494 16.9055 1 0 3 9 259.18 20.124 1 0 3 -9 239.658 16.6904 1 -2 3 9 129.028 10.2075 1 2 -3 9 124.793 9.72671 1 -2 3 -9 116.839 8.91727 1 2 -3 -9 120.411 9.20418 1 -4 3 9 315.527 23.5462 1 -9 4 3 356.242 22.9117 1 -4 3 -9 283.974 22.8227 1 4 -3 -9 335.977 23.115 1 -4 -3 9 345.246 23.2442 1 -9 6 3 96.6266 6.8091 1 -6 3 9 92.8524 7.3196 1 3 -9 6 95.7832 6.56853 1 6 -3 -9 74.6845 6.7127 1 -6 3 -9 79.5987 6.93908 1 -9 8 3 123.501 9.07061 1 3 -9 8 106.164 8.74945 1 -8 3 9 120.299 9.3037 1 3 -9 -8 114.786 9.35827 1 8 -3 -9 120.166 8.7645 1 4 -9 1 122.121 8.32437 1 -1 4 9 91.6131 10.4985 1 1 4 -9 98.3679 8.22662 1 -1 -4 -9 113.774 9.46943 1 1 -4 9 102.875 8.65501 1 -1 4 -9 122.421 8.29202 1 4 -9 -1 127.966 8.38148 1 1 -4 -9 113.662 8.75577 1 -3 4 9 304.128 23.096 1 -3 4 -9 294.55 21.9178 1 4 -9 -3 332.586 22.2486 1 3 -4 -9 310.715 22.2368 1 -3 -4 9 333.763 22.3959 1 -9 7 4 63.7317 5.42903 1 4 -9 7 56.1026 5.08414 1 -7 4 9 59.934 5.98065 1 7 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292.849 21.352 1 7 -9 -2 316.972 20.4694 1 4 -7 9 56.8909 5.91651 1 -4 7 9 76.8236 11.6564 1 -9 4 7 57.8686 5.40928 1 7 -9 -4 66.156 4.992 1 4 -7 -9 62.8799 5.35376 1 -4 7 -9 66.68 4.79325 1 -6 7 9 79.3507 8.70171 1 -9 6 7 96.8767 7.6868 1 -9 6 -7 95.7348 6.65916 1 6 -7 -9 90.0403 7.03425 1 -6 7 -9 92.885 6.64733 1 -9 8 7 56.0225 5.78212 1 -8 7 9 53.5488 6.01623 1 7 -9 -8 61.6417 4.9176 1 9 -8 -7 59.5081 4.7679 1 -8 7 -9 51.4794 4.24284 1 8 -7 -9 59.2035 4.76966 1 -9 1 8 123.711 9.91616 1 1 -8 9 130.502 9.71988 1 -9 3 8 125.274 9.01751 1 3 -8 9 113.998 8.92343 1 3 -8 -9 105.228 8.9265 1 8 -9 -3 112.043 8.2933 1 -8 9 5 106.817 10.216 1 -9 5 8 122.687 9.53601 1 5 -8 9 130.379 10.8196 1 -9 5 -8 116.076 8.82971 1 8 -9 -5 120.079 8.85048 1 5 -8 -9 119.129 9.15944 1 -7 8 9 53.3223 7.21428 1 -9 7 -8 56.9657 4.2937 1 9 -7 -8 59.3522 4.86204 1 8 -9 -7 60.1239 4.90872 1 7 -8 -9 58.8436 4.90356 1 2 -9 9 122.293 9.55147 1 -9 2 9 127.377 9.8945 1 -9 9 6 94.3866 8.97769 1 -9 6 9 84.061 8.61568 1 9 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9.11639 1 -7 1 10 127.61 9.94652 1 7 -1 -10 120.374 9.2975 1 -10 7 -1 121.84 8.84175 1 -7 -1 10 134.151 9.96056 1 1 -10 9 71.0522 6.16251 1 -9 1 10 76.5768 6.70463 1 0 -2 10 49.8737 4.74031 1 0 -2 -10 44.0982 4.14438 1 0 2 10 44.0103 5.67622 1 -2 -2 -10 1558.78 101.658 1 -2 2 10 1541.57 102.115 1 2 2 -10 1520.52 101.08 1 2 -2 -10 1251.72 101.002 1 -2 -2 10 1517.88 101.46 1 -10 6 2 1259.17 89.4355 1 -6 2 10 1305.43 90.2271 1 -10 6 -2 1246.87 89.1884 1 -6 -2 10 1388.18 90.2085 1 6 -2 -10 1348.83 89.7317 1 2 -10 8 163.975 11.9588 1 -10 8 2 165.263 11.9101 1 -8 2 10 156.339 12.3824 1 8 -2 -10 162.439 11.8264 1 -1 -3 -10 130.65 10.6327 1 1 3 -10 126.777 9.86122 1 -1 3 10 126.546 11.8584 1 1 -3 -10 143.365 10.3222 1 -1 -3 10 153.533 10.6352 1 -5 3 10 153.57 11.7453 1 3 -10 5 146.883 10.4791 1 -5 3 -10 136.781 10.7578 1 5 -3 -10 142.074 10.8686 1 -5 -3 10 160.132 11.2806 1 -10 7 3 104.287 7.80389 1 -7 3 10 97.267 8.33074 1 3 -10 7 99.4004 7.61163 1 7 -3 -10 102.736 7.64961 1 -7 3 -10 98.9516 7.91848 1 3 -10 9 46.7479 5.05586 1 -10 9 3 61.2245 5.9194 1 -9 3 10 52.0232 5.27823 1 9 -3 -10 60.7644 4.73472 1 4 -10 0 7.97353 2.1186 1 0 -4 -10 8.79777 2.59736 1 -4 4 10 255.881 17.2123 1 -10 4 4 223.776 15.8624 1 4 -10 4 200.55 15.195 1 4 -4 10 210.476 17.558 1 -4 4 -10 200.724 15.5022 1 -4 -4 10 248.689 16.228 1 4 -4 -10 205.378 15.7197 1 4 -10 -4 221.743 15.987 1 4 -10 6 75.7429 5.50495 1 -6 4 10 75.168 6.73718 1 -10 6 4 84.0881 5.92129 1 6 -4 -10 66.0339 5.70363 1 -6 4 -10 62.7732 5.65654 1 4 -10 8 25.6667 3.53189 1 -8 4 10 29.0996 4.24421 1 -10 8 4 32.8072 3.73371 1 -8 4 -10 32.5292 3.29855 1 8 -4 -10 35.7236 3.23631 1 4 -10 -8 34.3477 3.79298 1 5 -10 1 183.079 12.8296 1 1 5 -10 171.61 13.0962 1 -1 -5 10 197.957 13.6855 1 1 -5 -10 184.183 13.7562 1 -1 5 -10 178.121 13.0851 1 5 -10 -1 193.323 13.0537 1 -10 3 5 120.812 10.3323 1 3 -5 10 131.952 10.9883 1 -3 5 10 137.263 12.3107 1 -3 -5 10 156.317 10.5892 1 -3 5 -10 145.465 10.0114 1 5 -10 -3 139.761 10.0839 1 3 -5 -10 132.369 10.266 1 -5 5 10 36.8191 4.90623 1 -5 5 -10 26.6947 2.68635 1 5 -5 -10 30.1117 3.13725 1 5 -10 7 81.9936 6.76412 1 -7 5 10 95.369 7.97909 1 5 -10 -7 86.0403 6.94074 1 -7 5 -10 86.3954 6.58475 1 7 -5 -10 84.4756 6.69262 1 5 -10 9 49.7212 5.97112 1 -9 5 10 49.2147 5.43289 1 5 -10 -9 52.5156 4.80318 1 9 -5 -10 49.4229 4.36563 1 -9 5 -10 49.8194 4.30384 1 0 -6 10 95.5127 7.69952 1 2 -6 10 1350.25 85.5297 1 2 -6 -10 1200.6 85.1232 1 6 -10 -2 1183.11 84.5528 1 -2 -6 10 1345.8 85.1618 1 -2 6 -10 1111.62 84.5021 1 -4 6 10 66.3855 7.45118 1 4 -6 10 74.7631 6.91183 1 -4 6 -10 60.8413 4.99672 1 4 -6 -10 69.1712 5.62139 1 6 -10 -4 63.6535 5.27334 1 -10 6 6 455.22 30.8899 1 -6 6 10 398.104 31.6329 1 -6 6 -10 429.58 30.339 1 -10 6 -6 451.989 30.332 1 6 -6 -10 459.062 30.7462 1 -10 8 6 73.1315 6.83268 1 -8 6 10 68.7684 7.28238 1 8 -6 -10 74.2065 6.09558 1 6 -10 -8 76.2682 6.2635 1 -8 6 -10 74.2554 5.73193 1 10 -8 -6 85.4281 6.05026 1 -1 -7 10 117.252 9.04939 1 1 -7 -10 111.6 9.64621 1 7 -10 -1 117.44 8.27843 1 -10 3 7 98.6829 7.57924 1 3 -7 10 86.2314 7.78749 1 -3 7 -10 93.5146 6.75873 1 7 -10 -3 95.5013 6.89159 1 3 -7 -10 83.0077 7.37482 1 -5 7 10 66.4303 8.91463 1 -10 5 7 85.5121 6.7177 1 -5 7 -10 74.2971 5.92421 1 5 -7 -10 87.3879 6.58587 1 7 -10 -5 84.3885 6.30021 1 -10 7 7 84.4574 6.82193 1 -7 7 10 71.5238 7.54313 1 10 -7 -7 81.2678 5.88968 1 7 -10 -7 68.472 5.8602 1 -10 7 -7 67.0151 5.23985 1 -7 7 -10 71.4828 5.48091 1 -10 9 7 33.5443 5.07757 1 -9 7 10 29.8943 4.99086 1 9 -7 -10 31.7914 3.26605 1 -9 7 -10 29.9914 2.7604 1 7 -10 -9 32.7068 3.44853 1 10 -9 -7 34.3735 3.50339 1 0 -8 10 129.32 10.0373 1 2 -8 10 136.926 11.7619 1 2 -8 -10 166.831 12.3907 1 8 -10 -2 166.255 11.1405 1 -10 4 8 32.5515 3.7254 1 4 -8 10 25.8386 4.31702 1 8 -10 -4 31.1407 2.90048 1 4 -8 -10 26.3956 3.29762 1 8 -10 -6 73.8293 6.32383 1 -10 6 -8 78.5537 6.00312 1 10 -6 -8 87.1836 6.40746 1 -10 8 8 31.4226 4.90637 1 8 -10 -8 40.1276 3.73925 1 8 -8 -10 39.0097 3.72338 1 -8 8 -10 34.8848 3.0918 1 10 -8 -8 45.1271 3.71737 1 3 -9 10 47.2431 5.53195 1 -10 3 9 52.205 5.36283 1 9 -10 -3 63.9805 4.55655 1 3 -9 -10 55.3135 5.46722 1 5 -9 10 45.291 6.87595 1 -10 5 9 54.1669 5.39058 1 5 -9 -10 49.9446 4.71221 1 9 -10 -5 48.943 4.21879 1 10 -5 -9 50.1323 4.3052 1 -10 7 9 28.7717 4.45113 1 -9 10 7 31.755 7.47275 1 9 -10 -7 30.3201 3.18736 1 7 -9 -10 29.7799 3.28403 1 -10 7 -9 27.987 2.56228 1 10 -7 -9 34.0528 3.24611 1 -9 9 10 13.0326 5.27865 1 -9 10 9 23.3946 10.0602 1 -10 9 9 13.9389 4.47068 1 10 -9 -9 18.5572 2.49562 1 9 -9 -10 18.891 2.50235 1 9 -10 -9 17.2765 2.52123 1 -10 2 10 302.416 21.8695 1 4 -10 10 42.0561 5.70047 1 -10 4 10 48.6583 5.32333 1 4 -10 -10 58.1067 5.04518 1 -10 6 -10 239.476 17.2989 1 6 -10 -10 242.323 17.7317 1 10 -6 -10 256.306 17.5519 1 -10 8 10 18.7306 4.47211 1 8 -10 -10 19.3258 2.70213 1 10 -10 -8 18.8524 2.60268 1 10 -8 -10 22.5635 2.76179 1 10 -10 -10 119.491 9.20309 1 -3 0 11 175.168 13.1494 1 -3 0 -11 174.874 12.7495 1 3 0 -11 163.951 12.3753 1 -5 0 11 206.789 14.5666 1 5 0 -11 176.096 13.6804 1 -11 7 0 119.235 8.57757 1 7 0 -11 112.915 8.81066 1 -7 0 11 126.468 9.64638 1 -9 0 11 57.3603 5.78572 1 -2 1 11 214.781 16.3261 1 2 -1 11 191.449 16.9382 1 2 1 -11 222.712 15.2897 1 -2 -1 -11 219.49 15.681 1 2 -1 -11 225.484 15.4327 1 -2 1 -11 197.858 15.291 1 -2 -1 11 222.042 16.126 1 -4 1 11 5.06338 2.7338 1 4 1 -11 5.3629 1.469 1 -4 -1 -11 2.7583 2.38336 1 -4 -1 11 4.37437 2.41201 1 -4 1 -11 3.67566 1.91445 1 4 -1 -11 4.00736 1.58483 1 -6 1 11 132.879 10.0601 1 6 1 -11 120.839 9.22434 1 -11 6 1 139.381 9.11647 1 -6 -1 11 114.54 9.75177 1 6 -1 -11 111.397 9.1913 1 -11 6 -1 126.137 8.87182 1 -11 8 1 63.5119 4.85692 1 -8 1 11 57.5425 5.79771 1 -11 8 -1 56.7269 4.54292 1 -8 -1 11 57.0369 5.77238 1 8 -1 -11 58.5465 4.995 1 1 -11 10 8.17587 2.81986 1 -10 1 11 8.90639 3.17439 1 1 -2 11 190.286 15.9381 1 -1 -2 -11 213.38 15.344 1 1 2 -11 229.335 15.0325 1 -1 2 11 206.345 16.5521 1 -1 2 -11 193.305 14.8994 1 1 -2 -11 220.281 15.2733 1 -1 -2 11 213.889 15.8429 1 -3 -2 -11 57.6719 6.17494 1 3 2 -11 66.4181 5.12259 1 -3 2 11 64.5843 6.47854 1 3 -2 11 61.0164 9.14105 1 -3 -2 11 69.2881 5.90399 1 -3 2 -11 57.7072 5.16625 1 3 -2 -11 63.1974 5.34765 1 5 2 -11 169.358 12.0365 1 -5 2 11 164.59 12.9144 1 -5 -2 11 155.816 12.3905 1 -5 2 -11 158.019 12.2305 1 5 -2 -11 180.054 12.2408 1 -7 2 11 84.5276 7.30685 1 -11 7 2 87.8645 6.41858 1 -11 7 -2 71.7513 5.83178 1 7 -2 -11 85.8412 6.51605 1 -11 9 2 53.8889 4.90039 1 -9 2 11 50.3567 5.25063 1 2 -11 9 41.0371 4.64218 1 0 -3 -11 190.23 13.7848 1 0 -3 11 188.252 14.2664 1 0 3 -11 173.728 13.1458 1 2 -3 11 56.5874 6.18741 1 2 3 -11 54.291 4.75394 1 -2 -3 -11 59.0079 5.71948 1 -2 3 11 58.0614 6.88936 1 2 -3 -11 64.5545 5.16903 1 -2 3 -11 62.7616 4.95022 1 -2 -3 11 58.4908 5.50488 1 -4 3 11 216.678 16.1593 1 4 3 -11 197.642 14.8107 1 4 -3 -11 199.376 15.0127 1 -4 -3 11 224.302 15.5862 1 -11 6 3 117.405 8.13232 1 -6 3 11 106.942 9.20596 1 3 -11 6 109.644 8.00562 1 -6 -3 11 96.2499 8.68803 1 6 -3 -11 110.27 8.22508 1 -8 3 11 5.21869 2.84738 1 -11 8 3 8.04429 2.1206 1 3 -11 8 7.29075 2.2654 1 -8 3 -11 5.77026 2.26132 1 3 -11 10 16.7043 3.65791 1 -10 3 11 19.0642 3.78081 1 -11 10 3 31.444 6.43201 1 1 -4 11 4.57677 2.88194 1 -1 -4 -11 4.04605 2.48902 1 -1 4 11 5.71731 6.44591 1 1 4 -11 5.31474 1.46092 1 -1 -4 11 5.09362 2.41071 1 1 -4 -11 3.83879 1.9554 1 -1 4 -11 3.80977 1.27236 1 3 4 -11 198.691 13.3634 1 -3 4 11 176.705 15.0965 1 3 -4 11 180.238 15.0568 1 -3 -4 11 187.66 13.8341 1 3 -4 -11 191.466 13.6491 1 4 -11 -3 181.128 13.7906 1 4 -11 5 67.7704 5.55208 1 -5 4 11 76.9403 7.42519 1 5 -4 -11 80.571 6.05274 1 -5 -4 11 78.03 6.60659 1 -11 7 4 172.305 11.4894 1 -7 4 11 145.612 12.2801 1 4 -11 7 133.294 11.0628 1 7 -4 -11 149.346 11.2702 1 4 -11 -7 164.324 11.8928 1 4 -11 9 29.8445 4.31912 1 -9 4 11 32.88 4.75085 1 -11 9 4 38.5189 4.35694 1 4 -11 -9 39.5916 4.32273 1 9 -4 -11 39.2406 3.56684 1 5 -11 0 177.567 12.8876 1 0 -5 -11 199.693 14.1653 1 0 -5 11 171.867 13.6913 1 0 5 -11 181.345 13.0893 1 5 -11 2 145.325 10.8264 1 2 -5 11 141.223 12.1008 1 2 -5 -11 156.654 11.6927 1 5 -11 -2 164.618 11.4399 1 -2 -5 11 171.101 12.0207 1 -4 5 11 64.03 8.0594 1 -11 4 5 72.3221 6.34745 1 4 -5 -11 80.4444 6.3471 1 5 -11 -4 80.7888 6.34438 1 -4 -5 11 91.1638 6.87519 1 -11 6 5 55.3049 4.72758 1 -6 5 11 47.2621 6.23175 1 6 -5 -11 50.654 4.43443 1 -6 5 -11 50.6957 4.23377 1 5 -11 -6 53.1449 4.76627 1 -8 5 11 2.35619 3.10814 1 -11 8 5 3.68793 2.44663 1 5 -11 8 3.342 2.54886 1 8 -5 -11 2.65752 1.59554 1 -8 5 -11 2.4364 1.53033 1 5 -11 -8 2.53997 2.04497 1 -11 10 5 15.0006 4.59448 1 5 -11 10 10.7362 4.26321 1 -10 5 11 11.9933 3.70305 1 10 -5 -11 18.6525 2.37365 1 -10 5 -11 17.5514 2.57429 1 5 -11 -10 15.2523 2.83849 1 1 -6 11 109.962 9.20746 1 -1 6 -11 106.978 8.23326 1 1 -6 -11 117.096 9.18152 1 6 -11 -1 116.701 8.19772 1 -3 -6 11 116.75 9.02063 1 6 -11 -3 110.657 8.25554 1 3 -6 -11 104.637 8.62858 1 -5 6 11 45.0904 6.72408 1 -11 5 6 57.332 4.80344 1 5 -6 -11 51.9677 4.50506 1 6 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3.02568 1 -14 8 4 11.2289 2.93594 1 -8 4 14 5.40812 4.72037 1 8 -4 -14 11.5146 2.04332 1 -8 4 -14 13.6246 2.55139 1 -10 4 14 1.13118 4.22772 1 -14 10 4 7.19167 3.61741 1 10 -4 -14 10.202 1.81712 1 1 5 -14 14.1284 1.91148 1 1 -5 14 6.24012 4.38702 1 -1 -5 14 6.77771 3.71512 1 1 -5 -14 10.8203 2.77997 1 -1 5 -14 11.1968 1.76687 1 -3 5 14 2.1541 5.81695 1 3 -5 14 2.66929 4.84529 1 -3 -5 14 6.6343 3.30895 1 5 -5 -14 75.1563 6.28156 1 -5 5 -14 78.3481 6.05169 1 -7 5 14 3.35209 4.69829 1 -14 7 5 9.34061 2.80329 1 -7 5 -14 12.6716 2.20985 1 -9 5 14 2.1267 4.14158 1 -14 9 5 6.16839 3.27617 1 -9 5 -14 7.37771 2.14701 1 9 -5 -14 9.12265 1.98017 1 0 -6 -14 20.7169 3.6809 1 0 -6 14 23.6375 4.6968 1 2 -6 14 144.971 13.3674 1 -2 -6 14 145.243 11.9587 1 4 -6 14 9.4709 10.9358 1 -4 6 -14 9.99229 1.68635 1 -4 -6 14 6.65006 3.31857 1 4 -6 -14 7.55183 2.29624 1 6 -14 -6 108.612 9.0981 1 -6 6 -14 114.592 8.35325 1 -14 8 6 8.30722 3.11402 1 -8 6 14 3.16058 4.5452 1 -8 6 -14 12.0466 1.97915 1 8 -6 -14 10.6707 1.94162 1 1 -7 14 21.1494 4.84659 1 -1 -7 14 20.1274 4.23309 1 1 -7 -14 23.4052 3.62086 1 3 -7 14 3.34435 5.13238 1 -3 -7 14 5.81597 3.24518 1 7 -14 -3 9.05697 2.19104 1 -3 7 -14 11.4297 1.68162 1 -5 7 14 1.07824 8.45473 1 -5 7 -14 12.3302 1.81279 1 7 -14 -5 9.42143 2.63553 1 -14 7 7 23.0007 3.93264 1 7 -14 -7 18.3266 3.16624 1 7 -7 -14 22.8924 2.93836 1 -7 7 -14 26.2196 2.53063 1 0 -8 14 6.49668 3.95555 1 2 -8 14 14.025 4.95246 1 -2 -8 14 13.8176 3.88635 1 8 -14 -2 20.7187 2.56715 1 4 -8 14 3.11842 5.21098 1 8 -14 -4 7.15259 2.16946 1 -14 6 8 5.36626 3.16152 1 -6 8 14 1.29709 8.92563 1 6 -8 -14 11.8516 2.42922 1 8 -14 -6 9.82871 2.57478 1 -6 8 -14 12.0646 1.85029 1 1 -9 14 23.6534 5.17787 1 -1 -9 14 18.9624 4.28705 1 3 -9 14 5.68028 4.95622 1 3 -9 -14 15.8321 3.25808 1 9 -14 -3 12.5759 2.37372 1 9 -14 -5 7.0107 2.32448 1 5 -9 -14 7.10596 2.38587 1 0 -10 14 7.853 3.97667 1 2 -10 14 53.7325 7.34582 1 4 -10 14 2.66569 7.01369 1 1 -11 14 2.34334 4.05047 1 -1 0 -15 11.1421 2.34895 1 1 0 15 2.96306 7.0818 1 1 0 -15 14.6355 2.3041 1 -1 0 15 6.6251 5.29693 1 3 0 -15 69.3759 5.76968 1 -3 0 -15 70.07 6.15099 1 -5 0 -15 6.07733 2.58579 1 -7 0 15 4.29636 4.0434 1 -9 0 15 3.1429 3.92737 1 0 -1 15 5.09819 5.09288 1 0 1 -15 15.7522 2.3336 1 0 -1 -15 15.1047 2.55248 1 -2 -1 -15 23.3706 3.33657 1 2 -1 15 5.5165 7.87707 1 2 1 -15 24.3009 2.77666 1 2 -1 -15 22.4282 2.82949 1 -2 1 -15 22.2245 2.92784 1 4 1 -15 33.2367 3.22657 1 -4 1 -15 24.9169 3.48145 1 4 -1 -15 29.3873 3.2533 1 -6 1 15 11.4851 4.36531 1 -6 1 -15 12.6111 2.84482 1 -6 -1 15 11.0972 4.02313 1 -8 1 15 9.64339 3.94796 1 -8 -1 15 8.00216 3.75152 1 1 2 -15 25.275 2.89297 1 -1 -2 -15 25.8983 3.49001 1 -1 2 -15 25.7683 3.06724 1 1 -2 -15 23.017 3.17729 1 -5 2 -15 16.8662 2.82877 1 -7 2 15 5.35927 3.99055 1 -7 2 -15 7.86131 2.45369 1 -7 -2 15 7.66567 3.68529 1 -15 9 2 4.79137 2.34798 1 -9 2 15 2.09552 3.88916 1 0 3 -15 82.3444 6.36183 1 0 -3 -15 73.371 6.73078 1 -4 3 -15 5.48824 1.89656 1 -4 -3 15 3.68551 3.82672 1 6 -3 -15 50.7569 4.42173 1 -6 3 -15 46.3484 4.58386 1 -8 3 15 3.3759 4.30745 1 -15 8 3 6.40754 2.38778 1 1 4 -15 31.7756 3.10376 1 -1 -4 -15 27.0078 3.80705 1 1 -4 -15 25.5046 3.53425 1 3 -4 15 2.14302 7.58991 1 3 4 -15 8.85301 1.76767 1 -3 -4 15 2.98425 3.6677 1 -3 4 -15 5.67937 1.7785 1 5 -4 -15 55.0165 4.87389 1 -5 4 -15 48.1555 4.56143 1 -7 4 15 2.55037 4.73806 1 7 -4 -15 7.45972 1.95191 1 -7 4 -15 7.35003 2.12544 1 0 5 -15 12.1155 1.90571 1 0 -5 15 4.76726 4.32723 1 2 -5 15 5.44457 5.15884 1 -2 -5 15 7.78852 3.91341 1 -4 5 -15 54.232 4.67215 1 4 -5 -15 55.9644 5.14745 1 -6 5 15 1.47272 5.24244 1 6 -5 -15 5.14185 2.01554 1 -6 5 -15 5.20875 1.92514 1 -15 8 5 8.96043 3.17512 1 -8 5 15 2.40008 4.93515 1 1 -6 15 8.6911 4.90109 1 -1 -6 15 11.232 4.20093 1 3 -6 15 12.1358 6.07505 1 -3 -6 15 20.5164 4.32801 1 -5 6 15 0.28826 5.43506 1 -5 6 -15 4.56788 1.52344 1 5 -6 -15 5.22978 2.29242 1 -7 6 -15 22.707 2.58187 1 7 -6 -15 19.0159 2.6859 1 7 -15 0 3.81469 1.61096 1 0 -7 15 4.68409 3.95739 1 2 -7 15 6.60782 5.14704 1 -2 7 -15 17.1541 2.00815 1 2 -7 -15 16.059 3.04021 1 4 -7 15 2.01707 12.5526 1 4 -7 -15 6.49018 2.32353 1 -4 7 -15 6.56044 1.76421 1 7 -15 -6 15.1146 3.03054 1 1 -8 15 8.96776 5.37196 1 -1 -8 15 9.49769 4.37213 1 3 -8 15 3.01131 6.53108 1 3 -8 -15 17.4836 3.13439 1 8 -15 -3 11.6832 2.59522 1 5 -8 -15 15.5015 2.86608 1 -5 8 -15 15.9044 1.9399 1 8 -15 -5 12.4944 2.77695 1 0 -9 15 4.5278 4.19142 1 2 -9 15 3.05291 5.43411 1 -2 0 -16 60.3037 5.44019 1 -4 0 -16 176.379 14.4354 1 4 0 -16 211.249 14.2747 1 -6 0 16 3.55591 4.13297 1 -8 0 16 28.1429 5.57031 1 -1 -1 -16 86.4999 7.34754 1 1 1 -16 91.4369 7.19292 1 -1 1 -16 89.4654 7.22081 1 -3 -1 -16 12.987 2.79287 1 -3 -1 16 5.01638 4.63449 1 3 -1 -16 16.1069 2.47465 1 -3 1 -16 14.4451 2.57426 1 5 1 -16 16.214 2.4612 1 -5 1 -16 11.9805 2.85595 1 5 -1 -16 16.1337 2.47403 1 -7 1 16 2.33612 4.09873 1 -7 -1 16 1.92086 4.34349 1 2 2 -16 3.42786 1.8745 1 2 -2 16 0.58465 11.7584 1 -2 2 16 0.32601 6.20348 1 -2 2 -16 2.29695 1.83164 1 -4 2 16 3.37772 5.04667 1 4 2 -16 16.8656 2.50845 1 4 -2 -16 12.6195 2.33978 1 -4 2 -16 12.8399 2.44736 1 -6 2 16 2.9658 4.57622 1 -6 2 -16 12.9284 2.60273 1 -6 -2 16 4.81835 4.38704 1 1 3 -16 16.4189 2.38067 1 -1 3 16 -0.282 8.83511 1 1 -3 16 3.25907 5.88161 1 -1 3 -16 15.3224 2.48656 1 1 -3 -16 16.8425 2.9208 1 -3 3 -16 37.5536 3.82206 1 3 -3 -16 41.8088 4.11242 1 5 3 -16 9.03237 1.6973 1 -5 3 16 0.57802 5.21301 1 -5 3 -16 7.38776 2.08187 1 5 -3 -16 8.04179 2.04377 1 -5 -3 16 1.67367 4.20842 1 -7 3 16 1.99011 4.93343 1 -7 -3 16 1.43025 3.84432 1 -7 3 -16 13.426 2.57665 1 -2 4 16 2.71448 9.6921 1 2 4 -16 19.0094 2.40456 1 2 -4 16 2.5746 6.18766 1 -2 4 -16 13.4362 2.2221 1 2 -4 -16 14.5008 2.84241 1 4 -4 -16 112.517 8.92877 1 -4 4 -16 115.432 8.82048 1 -6 4 16 0.20818 5.06606 1 -6 -4 16 0.22719 3.41806 1 6 -4 -16 2.16946 1.83636 1 -6 4 -16 2.00461 1.87133 1 1 -5 16 2.69409 5.24768 1 1 -5 -16 11.1451 2.9851 1 -1 5 -16 13.9024 2.02037 1 -1 -5 16 3.12321 4.63175 1 -3 5 16 0.55401 9.73541 1 3 -5 16 0.86825 8.0378 1 -3 -5 16 1.15004 3.76513 1 -5 5 16 -0.1027 6.33749 1 -5 -5 16 -0.1365 3.71928 1 0 -6 16 1.64065 4.62811 1 2 -6 -16 19.8636 3.47176 1 -2 6 -16 19.9564 2.45373 1 -4 6 16 0.43067 8.49578 1 -4 -6 16 0.73325 3.69629 1 -4 6 -16 2.28235 1.55022 1 4 -6 -16 2.51173 2.38196 1 1 -7 16 2.83681 5.36119 1 -1 -7 16 3.17269 4.98212 1 3 -7 16 -0.3395 6.99586 1 -3 -7 16 2.27073 4.01983 1 3 -7 -16 15.2519 3.00511 1 0 -8 16 32.4216 6.69837 1 1 0 -17 2.00378 2.0056 1 -1 0 17 -0.3232 6.72796 1 -1 0 -17 2.37651 2.35204 1 0 -1 -17 3.41347 2.42815 1 0 1 -17 2.32752 2.02296 1 0 1 17 -0.4404 9.73612 1 0 -1 17 0.41742 6.13872 1 -2 1 17 0.34541 5.93513 1 2 1 -17 11.6549 2.23839 1 -2 -1 -17 11.3479 2.79371 1 2 -1 -17 13.3656 2.48212 1 -2 -1 17 1.64254 5.2801 1 -4 -1 -17 2.05761 2.31999 1 -4 1 17 -0.107 5.36706 1 4 -1 -17 4.62755 1.87248 1 -4 -1 17 0.43484 4.35079 1 1 2 -17 10.4223 2.05827 1 -1 2 17 1.15071 9.62239 1 -1 -2 -17 9.92497 2.84924 1 -1 -2 17 0.93736 5.59775 1 1 -2 -17 12.438 2.77473 1 -3 -2 -17 3.78027 2.50415 1 -3 2 17 1.00426 6.09835 1 -3 -2 17 1.31575 4.69503 1 5 2 -17 5.84902 1.87645 1 -5 2 17 -0.0436 5.56874 1 5 -2 -17 5.17284 1.95585 1 -5 2 -17 3.61626 2.07397 1 -5 -2 17 0.55068 4.22971 1 0 -3 17 1.72203 6.2753 1 -2 -3 -17 5.42458 2.66467 1 -2 3 17 -0.7078 8.0975 1 2 3 -17 10.9796 2.18461 1 -2 3 -17 9.47986 2.0846 1 2 -3 -17 10.2059 2.55359 1 -4 3 17 -0.6836 6.04396 1 4 3 -17 4.99388 1.80359 1 -4 3 -17 2.36523 1.85939 1 -4 -3 17 -0.3796 4.21182 1 4 -3 -17 4.13242 2.04906 1 1 4 -17 4.85529 1.57709 1 -1 -4 -17 4.78568 2.86777 1 -1 -4 17 0.66471 4.98574 1 1 -4 -17 3.54021 2.26091 1 -3 4 17 -0.7882 8.23775 1 3 4 -17 4.12881 1.51328 1 -3 -4 17 0.75134 4.12938 1 3 -4 -17 3.78791 2.35591 1 -3 4 -17 2.96746 1.62914 1 0 -5 -17 37.7984 4.60133 1 2 -5 17 0.32141 6.17377 1 -2 -5 17 0.90663 4.41952 1 2 -5 -17 4.73862 2.38714 1 loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag N1 Co1 N1 109.0(3) 40_444 39_544 ? N1 Co1 N1 109.72(17) 39_544 . ? N1 Co1 N1 109.72(17) 40_444 . ? N1 Co1 N1 109.72(17) 40_444 2_545 ? N1 Co1 N1 109.72(17) 39_544 2_545 ? N1 Co1 N1 109.0(3) 2_545 . ? C2 N1 Co1 130.4(4) . . ? C2 N1 C3 104.8(6) . . ? C3 N1 Co1 124.9(5) . . ? N1 C2 N1 113.3(7) 20_544 . ? N1 C2 C1 123.3(4) . . ? N1 C2 C1 123.3(4) 20_544 . ? C2 C1 H1A 109.5 . . ? C2 C1 H1B 109.5 . . ? C2 C1 H1C 109.5 . . ? H1A C1 H1B 109.5 . . ? H1A C1 H1C 109.5 . . ? H1B C1 H1C 109.5 . . ? N1 C3 C3 108.6(4) . 20_544 ? N1 C3 H3 125.7 . . ? C3 C3 H3 125.7 20_544 . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Co1 N1 1.985(6) 40_444 ? Co1 N1 1.985(6) . ? Co1 N1 1.985(6) 39_544 ? Co1 N1 1.985(6) 2_545 ? N1 C2 1.364(6) . ? N1 C3 1.373(7) . ? C2 C1 1.502(10) . ? C1 H1A 1.0831 . ? C1 H1B 1.0831 . ? C1 H1C 1.0831 . ? C3 C3 1.404(15) 20_544 ? C3 H3 1.0770 . ? 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 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag Co1 N1 C2 N1 -179.9(3) . . . 20_544 ? Co1 N1 C2 C1 2.2(14) . . . . ? Co1 N1 C3 C3 179.7(4) . . . 20_544 ? C2 N1 C3 C3 0.5(6) . . . 20_544 ? C3 N1 C2 N1 -0.8(11) . . . 20_544 ? C3 N1 C2 C1 -178.7(10) . . . . ? loop_ _platon_squeeze_void_nr _platon_squeeze_void_average_x _platon_squeeze_void_average_y _platon_squeeze_void_average_z _platon_squeeze_void_volume _platon_squeeze_void_count_electrons _platon_squeeze_void_content 1 -0.012 -0.006 -0.003 2623 794 ' ' loop_ _platon_missing_refln_index_h _platon_missing_refln_index_k _platon_missing_refln_index_l _platon_missing_refln_theta 0 0 4 4.734