data_shelx _audit_creation_method 'SHELXL-2017/1' _shelx_SHELXL_version_number '2017/1' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C2 Ca Co0.33 Mg O6' _chemical_formula_weight 204.05 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' 'Ca' 'Ca' 0.2262 0.3064 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Mg' 'Mg' 0.0486 0.0363 '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' 'Co' 'Co' 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system trigonal _space_group_IT_number 148 _space_group_name_H-M_alt 'R -3 :H' _space_group_name_Hall '-R 3' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; loop_ _space_group_symop_operation_xyz 'x, y, z' 'x-y, x, -z' 'y, -x+y, -z' 'x+2/3, y+1/3, z+1/3' 'x-y+2/3, x+1/3, -z+1/3' 'y+2/3, -x+y+1/3, -z+1/3' 'x+1/3, y+2/3, z+2/3' 'x-y+1/3, x+2/3, -z+2/3' 'y+1/3, -x+y+2/3, -z+2/3' '-x, -y, -z' '-x+y, -x, z' '-y, x-y, z' '-x+2/3, -y+1/3, -z+1/3' '-x+y+2/3, -x+1/3, z+1/3' '-y+2/3, x-y+1/3, z+1/3' '-x+1/3, -y+2/3, -z+2/3' '-x+y+1/3, -x+2/3, z+2/3' '-y+1/3, x-y+2/3, z+2/3' _cell_length_a 4.81152(10) _cell_length_b 4.81152(10) _cell_length_c 16.0305(3) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 321.398(14) _cell_formula_units_Z 3 _cell_measurement_temperature 295(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 3.163 _exptl_crystal_F_000 303 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_absorpt_coefficient_mu 2.809 _shelx_estimated_absorpt_T_min ? _shelx_estimated_absorpt_T_max ? _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_absorpt_special_details ? _diffrn_ambient_temperature 295(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source ? _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 956 _diffrn_reflns_av_unetI/netI 0.0140 _diffrn_reflns_av_R_equivalents 0.0194 _diffrn_reflns_limit_h_min -7 _diffrn_reflns_limit_h_max 7 _diffrn_reflns_limit_k_min -5 _diffrn_reflns_limit_k_max 6 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 5.055 _diffrn_reflns_theta_max 36.771 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.932 _diffrn_measured_fraction_theta_full 0.962 _diffrn_reflns_Laue_measured_fraction_max 0.932 _diffrn_reflns_Laue_measured_fraction_full 0.962 _diffrn_reflns_point_group_measured_fraction_max 0.932 _diffrn_reflns_point_group_measured_fraction_full 0.962 _reflns_number_total 327 _reflns_number_gt 324 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement 'SHELXL-2017/1 (Sheldrick, 2017)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refined as a 2-component twin. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0320P)^2^+0.0563P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens . _refine_ls_hydrogen_treatment undef _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 327 _refine_ls_number_parameters 19 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0172 _refine_ls_R_factor_gt 0.0172 _refine_ls_wR_factor_ref 0.0462 _refine_ls_wR_factor_gt 0.0462 _refine_ls_goodness_of_fit_ref 1.110 _refine_ls_restrained_S_all 1.110 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 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 Ca1 Ca 0.000000 0.000000 0.000000 0.01035(9) Uani 1 6 d S T P . . Mg1 Mg 0.000000 0.000000 0.500000 0.00864(13) Uani 0.812(2) 6 d S T P . . Co1 Co 0.000000 0.000000 0.500000 0.00864(13) Uani 0.188(2) 6 d S T P . . C1 C 0.000000 0.000000 0.24296(6) 0.00859(17) Uani 1 3 d S T P . . O1 O 0.24845(12) -0.03388(12) 0.24409(3) 0.01250(11) Uani 1 1 d . . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ca1 0.01073(11) 0.01073(11) 0.00957(13) 0.000 0.000 0.00537(5) Mg1 0.00821(16) 0.00821(16) 0.00951(19) 0.000 0.000 0.00410(8) Co1 0.00821(16) 0.00821(16) 0.00951(19) 0.000 0.000 0.00410(8) C1 0.0086(3) 0.0086(3) 0.0087(3) 0.000 0.000 0.00428(13) O1 0.0104(2) 0.0142(2) 0.0153(2) -0.00314(15) -0.00236(14) 0.00784(16) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; 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 Ca1 O1 2.3795(5) 17_554 ? Ca1 O1 2.3795(5) 5_445 ? Ca1 O1 2.3795(5) 13 ? Ca1 O1 2.3795(5) 7_444 ? Ca1 O1 2.3795(5) 18_544 ? Ca1 O1 2.3795(5) 6_455 ? Ca1 C1 3.1330(4) 13 ? Ca1 C1 3.1330(4) 7_444 ? Ca1 C1 3.1330(4) 13_445 ? Ca1 C1 3.1330(4) 7_554 ? Ca1 C1 3.1330(4) 7_544 ? Ca1 C1 3.1330(4) 13_455 ? Mg1 O1 2.0909(5) 14 ? Mg1 O1 2.0909(5) 8_445 ? Mg1 O1 2.0909(5) 15_445 ? Mg1 O1 2.0909(5) 9 ? Mg1 O1 2.0909(5) 16_545 ? Mg1 O1 2.0909(5) 4_455 ? C1 O1 1.2848(5) . ? C1 O1 1.2848(5) 11 ? C1 O1 1.2848(5) 12 ? 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 O1 Ca1 O1 180.00(2) 17_554 5_445 ? O1 Ca1 O1 92.417(17) 17_554 13 ? O1 Ca1 O1 87.583(17) 5_445 13 ? O1 Ca1 O1 87.583(17) 17_554 7_444 ? O1 Ca1 O1 92.417(17) 5_445 7_444 ? O1 Ca1 O1 180.000(18) 13 7_444 ? O1 Ca1 O1 87.582(17) 17_554 18_544 ? O1 Ca1 O1 92.418(17) 5_445 18_544 ? O1 Ca1 O1 92.418(17) 13 18_544 ? O1 Ca1 O1 87.582(17) 7_444 18_544 ? O1 Ca1 O1 92.418(17) 17_554 6_455 ? O1 Ca1 O1 87.582(17) 5_445 6_455 ? O1 Ca1 O1 87.582(17) 13 6_455 ? O1 Ca1 O1 92.418(17) 7_444 6_455 ? O1 Ca1 O1 180.00(4) 18_544 6_455 ? O1 Ca1 C1 101.467(14) 17_554 13 ? O1 Ca1 C1 78.533(14) 5_445 13 ? O1 Ca1 C1 21.974(14) 13 13 ? O1 Ca1 C1 158.026(14) 7_444 13 ? O1 Ca1 C1 73.013(16) 18_544 13 ? O1 Ca1 C1 106.987(16) 6_455 13 ? O1 Ca1 C1 78.533(14) 17_554 7_444 ? O1 Ca1 C1 101.467(14) 5_445 7_444 ? O1 Ca1 C1 158.026(14) 13 7_444 ? O1 Ca1 C1 21.974(14) 7_444 7_444 ? O1 Ca1 C1 106.987(16) 18_544 7_444 ? O1 Ca1 C1 73.013(16) 6_455 7_444 ? C1 Ca1 C1 180.00(3) 13 7_444 ? O1 Ca1 C1 158.026(14) 17_554 13_445 ? O1 Ca1 C1 21.974(14) 5_445 13_445 ? O1 Ca1 C1 106.988(16) 13 13_445 ? O1 Ca1 C1 73.012(16) 7_444 13_445 ? O1 Ca1 C1 101.467(14) 18_544 13_445 ? O1 Ca1 C1 78.533(14) 6_455 13_445 ? C1 Ca1 C1 100.328(18) 13 13_445 ? C1 Ca1 C1 79.672(18) 7_444 13_445 ? O1 Ca1 C1 21.974(14) 17_554 7_554 ? O1 Ca1 C1 158.026(14) 5_445 7_554 ? O1 Ca1 C1 73.012(16) 13 7_554 ? O1 Ca1 C1 106.988(16) 7_444 7_554 ? O1 Ca1 C1 78.533(14) 18_544 7_554 ? O1 Ca1 C1 101.467(14) 6_455 7_554 ? C1 Ca1 C1 79.672(18) 13 7_554 ? C1 Ca1 C1 100.328(18) 7_444 7_554 ? C1 Ca1 C1 180.00(3) 13_445 7_554 ? O1 Ca1 C1 106.987(16) 17_554 7_544 ? O1 Ca1 C1 73.013(16) 5_445 7_544 ? O1 Ca1 C1 101.467(14) 13 7_544 ? O1 Ca1 C1 78.533(14) 7_444 7_544 ? O1 Ca1 C1 21.973(14) 18_544 7_544 ? O1 Ca1 C1 158.027(14) 6_455 7_544 ? C1 Ca1 C1 79.672(18) 13 7_544 ? C1 Ca1 C1 100.328(18) 7_444 7_544 ? C1 Ca1 C1 79.672(18) 13_445 7_544 ? C1 Ca1 C1 100.328(18) 7_554 7_544 ? O1 Ca1 C1 73.013(16) 17_554 13_455 ? O1 Ca1 C1 106.987(16) 5_445 13_455 ? O1 Ca1 C1 78.533(14) 13 13_455 ? O1 Ca1 C1 101.467(14) 7_444 13_455 ? O1 Ca1 C1 158.027(14) 18_544 13_455 ? O1 Ca1 C1 21.973(14) 6_455 13_455 ? C1 Ca1 C1 100.328(18) 13 13_455 ? C1 Ca1 C1 79.672(18) 7_444 13_455 ? C1 Ca1 C1 100.328(18) 13_445 13_455 ? C1 Ca1 C1 79.672(18) 7_554 13_455 ? C1 Ca1 C1 180.00(3) 7_544 13_455 ? O1 Mg1 O1 180.0 14 8_445 ? O1 Mg1 O1 88.362(19) 14 15_445 ? O1 Mg1 O1 91.638(19) 8_445 15_445 ? O1 Mg1 O1 91.638(19) 14 9 ? O1 Mg1 O1 88.362(19) 8_445 9 ? O1 Mg1 O1 180.0 15_445 9 ? O1 Mg1 O1 91.639(19) 14 16_545 ? O1 Mg1 O1 88.361(19) 8_445 16_545 ? O1 Mg1 O1 91.639(19) 15_445 16_545 ? O1 Mg1 O1 88.361(19) 9 16_545 ? O1 Mg1 O1 88.361(19) 14 4_455 ? O1 Mg1 O1 91.639(19) 8_445 4_455 ? O1 Mg1 O1 88.361(19) 15_445 4_455 ? O1 Mg1 O1 91.639(19) 9 4_455 ? O1 Mg1 O1 180.00(2) 16_545 4_455 ? O1 Mg1 Ca1 122.237(14) 14 4_445 ? O1 Mg1 Ca1 57.763(14) 8_445 4_445 ? O1 Mg1 Ca1 81.921(13) 15_445 4_445 ? O1 Mg1 Ca1 98.079(13) 9 4_445 ? O1 Mg1 Ca1 32.688(13) 16_545 4_445 ? O1 Mg1 Ca1 147.312(13) 4_455 4_445 ? O1 Mg1 Ca1 57.763(14) 14 7 ? O1 Mg1 Ca1 122.237(14) 8_445 7 ? O1 Mg1 Ca1 98.079(13) 15_445 7 ? O1 Mg1 Ca1 81.921(13) 9 7 ? O1 Mg1 Ca1 147.312(13) 16_545 7 ? O1 Mg1 Ca1 32.688(13) 4_455 7 ? Ca1 Mg1 Ca1 180.0 4_445 7 ? O1 Mg1 Ca1 81.921(13) 14 4 ? O1 Mg1 Ca1 98.079(13) 8_445 4 ? O1 Mg1 Ca1 147.314(13) 15_445 4 ? O1 Mg1 Ca1 32.686(13) 9 4 ? O1 Mg1 Ca1 57.764(14) 16_545 4 ? O1 Mg1 Ca1 122.236(14) 4_455 4 ? Ca1 Mg1 Ca1 77.246(1) 4_445 4 ? Ca1 Mg1 Ca1 102.754(1) 7 4 ? O1 Mg1 Ca1 98.079(13) 14 7_445 ? O1 Mg1 Ca1 81.921(13) 8_445 7_445 ? O1 Mg1 Ca1 32.686(13) 15_445 7_445 ? O1 Mg1 Ca1 147.314(13) 9 7_445 ? O1 Mg1 Ca1 122.236(14) 16_545 7_445 ? O1 Mg1 Ca1 57.764(14) 4_455 7_445 ? Ca1 Mg1 Ca1 102.754(1) 4_445 7_445 ? Ca1 Mg1 Ca1 77.246(1) 7 7_445 ? Ca1 Mg1 Ca1 180.0 4 7_445 ? O1 Mg1 Ca1 147.312(13) 14 4_455 ? O1 Mg1 Ca1 32.688(13) 8_445 4_455 ? O1 Mg1 Ca1 122.236(14) 15_445 4_455 ? O1 Mg1 Ca1 57.764(14) 9 4_455 ? O1 Mg1 Ca1 98.080(13) 16_545 4_455 ? O1 Mg1 Ca1 81.920(13) 4_455 4_455 ? Ca1 Mg1 Ca1 77.245(1) 4_445 4_455 ? Ca1 Mg1 Ca1 102.755(1) 7 4_455 ? Ca1 Mg1 Ca1 77.245(1) 4 4_455 ? Ca1 Mg1 Ca1 102.755(1) 7_445 4_455 ? O1 Mg1 Ca1 32.688(13) 14 7_545 ? O1 Mg1 Ca1 147.312(13) 8_445 7_545 ? O1 Mg1 Ca1 57.764(14) 15_445 7_545 ? O1 Mg1 Ca1 122.236(14) 9 7_545 ? O1 Mg1 Ca1 81.920(13) 16_545 7_545 ? O1 Mg1 Ca1 98.080(13) 4_455 7_545 ? Ca1 Mg1 Ca1 102.755(1) 4_445 7_545 ? Ca1 Mg1 Ca1 77.245(1) 7 7_545 ? Ca1 Mg1 Ca1 102.755(1) 4 7_545 ? Ca1 Mg1 Ca1 77.245(1) 7_445 7_545 ? Ca1 Mg1 Ca1 180.0 4_455 7_545 ? O1 C1 O1 119.980(3) . 11 ? O1 C1 O1 119.981(3) . 12 ? O1 C1 O1 119.980(3) 11 12 ? O1 C1 Ca1 43.87(3) . 4 ? O1 C1 Ca1 143.64(5) 11 4 ? O1 C1 Ca1 84.03(3) 12 4 ? O1 C1 Ca1 84.03(3) . 4_445 ? O1 C1 Ca1 43.86(3) 11 4_445 ? O1 C1 Ca1 143.64(5) 12 4_445 ? Ca1 C1 Ca1 100.327(18) 4 4_445 ? O1 C1 Ca1 143.64(5) . 4_455 ? O1 C1 Ca1 84.03(3) 11 4_455 ? O1 C1 Ca1 43.86(3) 12 4_455 ? Ca1 C1 Ca1 100.327(18) 4 4_455 ? Ca1 C1 Ca1 100.327(18) 4_445 4_455 ? C1 O1 Mg1 126.42(5) . 7_544 ? C1 O1 Ca1 114.16(4) . 4 ? Mg1 O1 Ca1 118.98(2) 7_544 4 ? _refine_diff_density_max 0.412 _refine_diff_density_min -0.388 _refine_diff_density_rms 0.098 _shelx_res_file ; TITL CD4 shelx.res created by SHELXL-2017/1 at 14:05:20 on 15-Jan-2018 CELL 0.71073 4.81152 4.81152 16.03053 90.000 90.000 120.000 ZERR 3.00 0.00010 0.00010 0.00025 0.000 0.000 0.000 LATT 3 SYMM + X - Y, + X, - Z SYMM + Y, - X + Y, - Z SFAC C Ca Mg O Co UNIT 6 3 3 18 1 L.S. 10 FMAP 2 PLAN 10 ACTA BOND $H TEMP 22.00 EXYZ MG1 CO1 EADP MG1 CO1 REM SUMP 1.0 0.0001 1.0 3 1.0 5 TWIN 1 0 0 -1 -1 0 0 0 -1 WGHT 0.032000 0.056300 BASF 0.93929 FVAR 0.78750 0.81208 CA1 2 0.000000 0.000000 0.000000 10.16667 0.01073 0.01073 = 0.00957 0.00000 0.00000 0.00537 MG1 3 10.000000 10.000000 10.500000 20.16666 0.00821 0.00821 = 0.00951 0.00000 0.00000 0.00410 CO1 5 10.000000 10.000000 10.500000 -20.16660 0.00821 0.00821 = 0.00951 0.00000 0.00000 0.00410 C1 1 0.000000 0.000000 0.242962 10.33333 0.00856 0.00856 = 0.00865 0.00000 0.00000 0.00428 O1 4 0.248453 -0.033876 0.244093 11.00000 0.01038 0.01415 = 0.01525 -0.00314 -0.00236 0.00784 HKLF 4 REM CD4 REM R1 = 0.0172 for 324 Fo > 4sig(Fo) and 0.0172 for all 327 data REM 19 parameters refined using 0 restraints END WGHT 0.0313 0.0582 REM Highest difference peak 0.412, deepest hole -0.388, 1-sigma level 0.098 Q1 1 0.2319 -0.1541 0.2665 11.00000 0.05 0.41 Q2 1 0.0000 0.0000 0.3912 10.33333 0.05 0.31 Q3 1 0.0000 0.0000 0.1294 10.33333 0.05 0.26 Q4 1 0.1464 -0.0237 0.2674 11.00000 0.05 0.24 Q5 1 0.3596 0.0610 0.2094 11.00000 0.05 0.23 Q6 1 0.3788 -0.0482 0.2242 11.00000 0.05 0.23 Q7 1 0.4195 0.1650 0.2595 11.00000 0.05 0.22 Q8 1 0.6169 0.1001 0.2186 11.00000 0.05 0.18 Q9 1 0.2367 -0.2020 0.2076 11.00000 0.05 0.17 Q10 1 0.0572 -0.3002 0.2832 11.00000 0.05 0.17 ; _shelx_res_checksum 98987 _shelx_hkl_file ; 0 -1 1 13.5355 1.2106 2 0 1 -1 13.7747 0.8961 2 1 -1 -1 14.2397 0.6352 2 -1 1 1 14.3790 0.6084 2 2 1 -2 1382.18 18.76 1 2 1 -2 1389.97 25.34 2 -2 -1 2 1404.00 16.81 4 -2 0 1 635.002 8.025 4 -2 0 1 635.943 9.664 1 -2 0 1 645.975 14.373 2 2 0 -1 630.636 13.987 4 2 0 -1 643.202 9.591 1 2 0 -1 626.936 13.091 2 -1 1 -2 456.753 12.588 4 1 -1 2 454.559 6.843 4 1 -1 2 482.053 8.753 2 1 -1 2 456.114 8.708 2 0 -2 2 3946.78 69.52 2 0 2 -2 3785.21 107.58 2 -2 1 0 1871.04 22.46 1 -2 1 0 1877.09 34.20 2 2 -1 0 1818.47 44.00 2 0 -2 -1 628.415 11.913 2 0 2 1 647.165 8.306 1 -2 2 -1 625.848 13.736 2 2 -2 1 637.128 11.567 2 -1 -2 1 842.614 16.788 2 1 2 -1 875.611 13.991 1 1 2 -1 846.999 20.066 2 0 -1 -2 477.366 9.604 2 0 1 2 463.863 9.730 2 -2 -1 -1 770.204 15.172 2 -2 -1 -1 774.711 9.462 1 -2 -1 -1 755.497 17.815 4 2 1 1 745.289 11.650 1 2 1 1 757.919 8.886 3 2 1 1 769.123 17.083 2 2 -2 -2 3895.25 94.20 2 -2 2 2 3914.16 59.48 1 -2 2 2 3949.31 73.56 2 -2 0 -2 3953.59 48.89 1 -2 0 -2 4022.97 64.39 4 -2 0 -2 3970.27 82.00 2 -2 0 -2 3945.64 90.16 2 2 0 2 4013.63 70.85 2 2 0 2 3950.89 47.60 1 -1 -2 -2 2964.53 58.17 2 1 2 2 3001.13 36.18 1 -3 1 2 2956.17 34.86 1 3 -1 -2 2907.93 34.86 1 3 -1 -2 2884.37 55.27 2 1 -2 3 1860.06 32.95 2 1 -2 3 1796.79 33.37 2 3 2 -2 635.231 8.347 1 3 2 -2 655.189 18.653 2 -3 2 1 768.734 14.432 2 -3 2 1 776.655 11.192 1 3 -2 -1 815.512 17.085 2 1 1 -3 3298.36 40.24 1 1 1 -3 3263.30 90.53 2 3 1 -1 34.5124 0.8868 1 3 1 -1 34.1111 1.2752 2 1 -3 -2 1390.52 27.76 2 -1 3 2 1448.95 17.26 1 0 -3 0 4522.34 90.42 2 -3 0 0 4809.66 60.11 1 -3 0 0 4785.87 77.06 4 3 0 0 4670.99 85.01 2 3 0 0 4807.39 58.86 1 2 -1 -3 1896.84 37.26 2 -2 1 3 1790.92 60.98 2 -2 1 3 1909.24 24.22 1 -3 1 -1 878.550 12.862 1 -3 1 -1 865.643 24.683 2 3 -1 1 863.476 16.770 2 -1 -1 -3 1815.73 36.00 2 -1 -1 -3 2056.88 45.03 2 1 1 3 1881.47 22.81 1 1 1 3 1855.33 37.18 2 -3 -2 -1 49.3534 3.7693 2 3 2 1 50.1290 1.2910 1 -3 2 -2 1475.63 27.22 2 -3 2 -2 1426.57 19.23 1 3 -2 2 1500.51 27.45 2 1 -2 -3 3399.66 60.33 2 -1 2 3 3356.50 40.48 1 3 1 2 50.7676 0.9146 3 3 1 2 52.5169 1.1590 1 3 -3 -3 38.0301 1.7236 2 3 -3 3 31.5838 1.7760 2 -3 3 3 35.4094 0.6930 1 3 -3 3 27.1494 1.5029 2 3 3 3 25.2947 1.0387 1 3 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6.995 1 -5 1 -6 536.493 20.756 4 6 0 -6 375.175 9.763 1 3 0 -6 192.113 4.322 2 3 0 -6 193.615 2.834 1 -3 0 6 192.523 2.864 1 0 0 -6 1388.27 17.03 1 0 0 -6 1448.72 40.67 2 0 0 6 1394.69 28.80 2 -3 0 -6 158.067 2.432 1 -3 0 -6 157.871 2.417 4 3 0 6 159.942 2.541 1 5 -1 -6 505.820 8.094 1 -5 1 6 513.338 7.013 1 -6 4 -1 79.8086 1.4937 1 2 -1 -6 4510.18 124.72 2 2 -1 -6 4503.85 53.87 1 -6 1 -1 85.9675 4.3563 1 -1 -1 -6 4980.61 60.29 1 -1 -1 -6 4969.68 86.76 2 1 1 6 4632.77 81.22 1 1 1 6 4849.54 88.59 2 -4 -1 -6 176.662 2.950 1 4 1 6 177.059 2.945 1 4 1 6 173.753 3.040 3 4 -2 -6 914.100 17.196 2 4 -2 -6 903.138 11.483 1 -4 2 6 911.502 11.435 1 -6 2 -2 308.681 5.592 1 1 -2 -6 2827.13 92.85 2 -1 2 6 2735.01 35.72 1 6 1 2 64.5247 1.7199 1 -2 -2 -6 925.767 24.873 2 2 2 6 917.438 11.593 1 5 2 6 313.943 23.036 1 -6 3 6 330.906 5.007 1 3 -3 -6 158.950 3.944 2 -3 3 6 162.086 2.421 1 0 -3 -6 198.968 4.862 2 -6 0 -3 174.442 8.742 1 0 3 6 199.181 2.806 1 3 3 6 335.589 4.869 1 -5 4 6 178.238 4.022 1 2 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2 1 0 7 9.16372 0.56260 3 -4 0 -7 16.3798 0.7387 4 -4 0 -7 18.4974 0.9829 1 4 0 7 18.4062 0.6590 3 7 -1 -7 0.45748 0.48579 1 4 -1 -7 72.8464 1.5304 1 4 -1 -7 73.3196 2.2095 2 -4 1 7 71.1000 1.4890 1 -7 3 -1 16.3746 5.6714 1 1 -1 -7 9.13779 0.88964 2 1 -1 -7 8.74618 0.44889 1 -1 1 7 9.27678 1.03386 1 -7 0 -1 10.3543 6.5920 1 -2 -1 -7 256.058 3.639 1 -2 -1 -7 266.245 5.263 2 2 1 7 261.688 4.503 3 2 1 7 252.645 3.629 1 -6 2 7 36.4730 1.2177 1 3 -2 -7 249.866 6.059 2 3 -2 -7 253.991 19.322 1 -3 2 7 248.145 3.527 1 -7 1 -2 189.101 11.332 1 7 -1 2 195.514 2.825 3 0 -2 -7 54.1378 1.6606 2 0 -2 -7 53.4562 1.5751 1 0 2 7 51.6387 2.1433 1 3 2 7 87.3726 11.9446 1 -5 3 7 80.9699 1.6577 1 2 -3 -7 884.772 16.765 2 -2 3 7 885.120 10.956 1 -1 -3 -7 72.8566 2.2810 2 1 3 7 74.2530 1.4413 1 4 3 7 22.5320 0.9631 1 -7 4 7 25.5009 1.5593 1 4 -4 -7 19.2221 4.2510 2 -4 4 7 18.9829 0.6879 1 -7 3 -4 1090.12 13.56 1 1 -4 -7 23.5997 1.6054 2 -1 4 7 24.0287 1.3726 1 2 4 7 39.7204 1.4548 1 -6 5 7 14.4482 1.0000 1 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8 3026.62 36.72 1 3 1 8 2951.44 34.45 3 -6 -1 -8 410.912 33.387 1 -5 2 8 591.695 7.908 1 2 -2 -8 1580.15 35.95 2 2 -2 -8 1608.28 21.56 1 -2 2 8 1583.40 22.00 1 -1 -2 -8 764.161 9.667 1 -1 -2 -8 774.189 14.571 2 1 2 8 756.476 9.611 1 4 2 8 230.144 5.076 1 -7 3 8 941.893 12.747 1 4 -3 -8 2978.98 54.72 2 -4 3 8 3001.67 37.86 1 1 -3 -8 2045.00 43.04 2 -1 3 8 2132.02 28.83 1 2 3 8 636.777 8.369 1 -6 4 8 227.748 6.020 1 3 -4 -8 1245.16 23.68 2 -3 4 8 1264.63 15.43 1 0 4 8 2590.77 34.27 1 3 4 8 971.960 15.770 1 -5 5 8 620.748 9.393 1 1 5 8 178.468 2.799 1 2 -4 9 7.40281 1.42862 2 0 3 -9 47.8404 1.7383 2 5 2 -9 25.7545 0.9947 1 2 2 -9 77.5514 1.6055 1 2 2 -9 75.2399 4.0940 2 -1 2 -9 926.511 27.010 4 -1 2 -9 908.339 18.165 2 -4 2 -9 77.6539 1.6003 4 -4 2 -9 77.6374 1.2065 1 -7 2 -9 18.4570 1.3563 1 7 -2 9 17.6260 1.0459 3 4 1 -9 20.3125 1.7417 1 1 1 -9 686.799 16.620 2 1 1 -9 667.752 9.277 1 1 1 -9 696.731 8.685 4 -2 1 -9 710.813 13.478 2 -2 1 -9 712.007 8.895 4 -2 1 -9 701.463 8.641 1 2 -1 9 712.311 13.928 2 -5 1 -9 64.2374 2.7794 1 6 0 -9 130.115 3.892 1 3 0 -9 220.161 6.638 2 3 0 -9 221.216 3.233 1 0 0 -9 846.896 11.242 1 0 0 -9 854.909 17.881 2 0 0 9 879.560 9.351 3 -3 0 -9 52.0808 10.1488 1 -3 0 -9 50.0240 2.4699 4 3 0 9 50.9857 0.9754 3 -6 0 -9 24.8898 1.9689 1 6 0 9 26.1360 1.7258 3 5 -1 -9 3.83490 0.83372 1 2 -1 -9 947.232 35.327 1 2 -1 -9 973.730 18.244 2 -2 1 9 977.569 11.962 1 -1 -1 -9 949.977 12.201 1 -1 -1 -9 919.734 20.360 2 1 1 9 936.287 12.305 1 -4 -1 -9 100.601 4.384 1 -7 2 9 65.2049 1.8307 1 4 -2 -9 8.24115 1.04742 2 4 -2 -9 7.32754 0.60852 1 -4 2 9 7.45105 1.21830 1 1 -2 -9 719.340 8.974 1 1 -2 -9 702.850 13.591 2 -1 2 9 712.094 10.235 1 -2 -2 -9 8.30244 1.47088 1 2 2 9 7.40843 0.53597 1 5 2 9 117.214 5.025 1 -6 3 9 10.4252 1.5843 1 3 -3 -9 52.8124 2.1139 2 -3 3 9 52.3757 1.2194 1 0 -3 -9 231.706 5.528 2 0 3 9 231.479 3.370 1 3 3 9 11.2485 0.7651 1 -5 4 9 91.0077 1.7816 1 2 -4 -9 79.7129 20.1329 2 -2 4 9 84.8456 1.5753 1 1 4 9 3.96649 0.49247 1 -7 5 9 117.731 2.322 1 -4 5 9 63.0624 1.2823 1 -1 5 9 20.8594 0.7062 1 2 5 9 65.6309 2.4842 1 -1 3 -10 1051.71 19.62 2 -4 3 -10 50.6242 1.2766 4 4 2 -10 251.490 3.569 1 1 2 -10 882.245 17.557 2 -2 2 -10 1941.16 35.07 2 -2 2 -10 1918.68 23.43 4 -5 2 -10 1022.72 12.57 1 3 1 -10 45.3237 1.0528 1 0 1 -10 476.518 13.479 2 0 1 -10 478.685 5.764 1 0 1 -10 466.085 6.051 1 0 1 -10 485.310 5.995 4 -3 1 -10 916.019 14.703 4 -3 1 -10 926.864 13.765 1 -6 1 -10 198.511 4.540 1 6 -1 10 199.911 2.876 3 5 0 -10 370.110 5.408 1 2 0 -10 1806.75 40.85 2 2 0 -10 1867.44 24.80 1 -1 0 -10 479.513 12.742 2 -1 0 -10 473.978 6.002 1 1 0 10 466.995 5.286 3 -4 0 -10 17.1699 7.2794 1 4 0 10 18.9134 0.7132 3 4 -1 -10 370.986 5.260 1 4 -1 -10 373.292 8.011 2 1 -1 -10 477.821 7.303 1 1 -1 -10 473.857 9.447 2 -1 1 10 473.060 6.119 1 -2 -1 -10 1150.27 16.08 1 2 1 10 1131.46 13.88 3 2 1 10 1129.98 17.62 1 -5 -1 -10 430.333 8.441 1 -6 2 10 217.532 6.988 1 3 -2 -10 1154.87 45.40 1 3 -2 -10 1127.00 29.28 2 0 -2 -10 1993.70 28.08 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