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 4.80705(9) _cell_length_b 4.80705(9) _cell_length_c 16.0056(4) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 320.302(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 3.174 _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 2.819 _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 836 _diffrn_reflns_av_unetI/netI 0.0220 _diffrn_reflns_av_R_equivalents 0.0275 _diffrn_reflns_limit_h_min -5 _diffrn_reflns_limit_h_max 3 _diffrn_reflns_limit_k_min -6 _diffrn_reflns_limit_k_max 7 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_theta_min 5.060 _diffrn_reflns_theta_max 35.404 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.970 _diffrn_measured_fraction_theta_full 0.970 _diffrn_reflns_Laue_measured_fraction_max 0.970 _diffrn_reflns_Laue_measured_fraction_full 0.970 _diffrn_reflns_point_group_measured_fraction_max 0.970 _diffrn_reflns_point_group_measured_fraction_full 0.970 _reflns_number_total 298 _reflns_number_gt 293 _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^)+(0.0410P)^2^+0.2020P] 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 298 _refine_ls_number_parameters 18 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0250 _refine_ls_R_factor_gt 0.0246 _refine_ls_wR_factor_ref 0.0653 _refine_ls_wR_factor_gt 0.0643 _refine_ls_goodness_of_fit_ref 1.123 _refine_ls_restrained_S_all 1.123 _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 0.00998(13) Uani 1 6 d S T P . . Mg1 Mg 0.000000 0.000000 0.500000 0.0089(3) Uani 0.980(10) 6 d S T P . . CO1 Ca 0.000000 0.000000 0.500000 0.0089(3) Uani 0.020(10) 6 d S T P . . C1 C 0.000000 0.000000 0.242970 0.0083(2) Uani 1 3 d S T P . . O1 O 0.24770(15) -0.03534(15) 0.24395(4) 0.01180(16) 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 0.01072(16) 0.01072(16) 0.00852(19) 0.000 0.000 0.00536(8) Mg1 0.0088(4) 0.0088(4) 0.0090(4) 0.000 0.000 0.00442(18) CO1 0.0088(4) 0.0088(4) 0.0090(4) 0.000 0.000 0.00442(18) C1 0.0090(4) 0.0090(4) 0.0070(5) 0.000 0.000 0.00451(19) O1 0.0103(3) 0.0138(3) 0.0135(3) -0.0031(2) -0.00203(18) 0.0076(2) _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 2.3821(6) 17_554 ? Ca1 O1 2.3821(6) 5_445 ? Ca1 O1 2.3821(6) 13 ? Ca1 O1 2.3821(6) 7_444 ? Ca1 O1 2.3821(6) 18_544 ? Ca1 O1 2.3821(6) 6_455 ? Ca1 C1 3.12959(5) 13 ? Ca1 C1 3.12959(5) 7_444 ? Ca1 C1 3.12959(5) 13_445 ? Ca1 C1 3.12959(5) 7_554 ? Ca1 C1 3.12962(5) 7_544 ? Ca1 C1 3.12962(5) 13_455 ? Mg1 O1 2.0836(6) 14 ? Mg1 O1 2.0836(6) 8_445 ? Mg1 O1 2.0836(6) 15_445 ? Mg1 O1 2.0836(6) 9 ? Mg1 O1 2.0836(6) 16_545 ? Mg1 O1 2.0836(6) 4_455 ? C1 O1 1.2842(6) . ? C1 O1 1.2842(6) 11 ? C1 O1 1.2842(6) 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(3) 17_554 5_445 ? O1 Ca1 O1 92.35(2) 17_554 13 ? O1 Ca1 O1 87.65(2) 5_445 13 ? O1 Ca1 O1 87.65(2) 17_554 7_444 ? O1 Ca1 O1 92.35(2) 5_445 7_444 ? O1 Ca1 O1 180.00(2) 13 7_444 ? O1 Ca1 O1 87.65(2) 17_554 18_544 ? O1 Ca1 O1 92.35(2) 5_445 18_544 ? O1 Ca1 O1 92.35(2) 13 18_544 ? O1 Ca1 O1 87.65(2) 7_444 18_544 ? O1 Ca1 O1 92.35(2) 17_554 6_455 ? O1 Ca1 O1 87.65(2) 5_445 6_455 ? O1 Ca1 O1 87.65(2) 13 6_455 ? O1 Ca1 O1 92.35(2) 7_444 6_455 ? O1 Ca1 O1 180.00(3) 18_544 6_455 ? O1 Ca1 C1 101.514(15) 17_554 13 ? O1 Ca1 C1 78.486(15) 5_445 13 ? O1 Ca1 C1 22.049(14) 13 13 ? O1 Ca1 C1 157.951(14) 7_444 13 ? O1 Ca1 C1 72.914(15) 18_544 13 ? O1 Ca1 C1 107.086(15) 6_455 13 ? O1 Ca1 C1 78.486(15) 17_554 7_444 ? O1 Ca1 C1 101.514(15) 5_445 7_444 ? O1 Ca1 C1 157.951(14) 13 7_444 ? O1 Ca1 C1 22.049(14) 7_444 7_444 ? O1 Ca1 C1 107.086(15) 18_544 7_444 ? O1 Ca1 C1 72.914(15) 6_455 7_444 ? C1 Ca1 C1 180.0 13 7_444 ? O1 Ca1 C1 157.951(14) 17_554 13_445 ? O1 Ca1 C1 22.049(14) 5_445 13_445 ? O1 Ca1 C1 107.087(15) 13 13_445 ? O1 Ca1 C1 72.913(15) 7_444 13_445 ? O1 Ca1 C1 101.514(15) 18_544 13_445 ? O1 Ca1 C1 78.486(15) 6_455 13_445 ? C1 Ca1 C1 100.349(1) 13 13_445 ? C1 Ca1 C1 79.651(1) 7_444 13_445 ? O1 Ca1 C1 22.049(14) 17_554 7_554 ? O1 Ca1 C1 157.951(14) 5_445 7_554 ? O1 Ca1 C1 72.913(15) 13 7_554 ? O1 Ca1 C1 107.087(15) 7_444 7_554 ? O1 Ca1 C1 78.486(15) 18_544 7_554 ? O1 Ca1 C1 101.514(15) 6_455 7_554 ? C1 Ca1 C1 79.651(1) 13 7_554 ? C1 Ca1 C1 100.349(1) 7_444 7_554 ? C1 Ca1 C1 180.0 13_445 7_554 ? O1 Ca1 C1 107.086(15) 17_554 7_544 ? O1 Ca1 C1 72.914(15) 5_445 7_544 ? O1 Ca1 C1 101.515(15) 13 7_544 ? O1 Ca1 C1 78.485(15) 7_444 7_544 ? O1 Ca1 C1 22.049(14) 18_544 7_544 ? O1 Ca1 C1 157.951(14) 6_455 7_544 ? C1 Ca1 C1 79.651(1) 13 7_544 ? C1 Ca1 C1 100.349(1) 7_444 7_544 ? C1 Ca1 C1 79.651(1) 13_445 7_544 ? C1 Ca1 C1 100.349(1) 7_554 7_544 ? O1 Ca1 C1 72.914(15) 17_554 13_455 ? O1 Ca1 C1 107.086(15) 5_445 13_455 ? O1 Ca1 C1 78.485(15) 13 13_455 ? O1 Ca1 C1 101.515(15) 7_444 13_455 ? O1 Ca1 C1 157.951(14) 18_544 13_455 ? O1 Ca1 C1 22.049(14) 6_455 13_455 ? C1 Ca1 C1 100.349(1) 13 13_455 ? C1 Ca1 C1 79.651(1) 7_444 13_455 ? C1 Ca1 C1 100.349(1) 13_445 13_455 ? C1 Ca1 C1 79.651(1) 7_554 13_455 ? C1 Ca1 C1 180.0 7_544 13_455 ? O1 Mg1 O1 180.0 14 8_445 ? O1 Mg1 O1 88.35(2) 14 15_445 ? O1 Mg1 O1 91.65(2) 8_445 15_445 ? O1 Mg1 O1 91.65(2) 14 9 ? O1 Mg1 O1 88.35(2) 8_445 9 ? O1 Mg1 O1 180.0 15_445 9 ? O1 Mg1 O1 91.65(2) 14 16_545 ? O1 Mg1 O1 88.35(2) 8_445 16_545 ? O1 Mg1 O1 91.65(2) 15_445 16_545 ? O1 Mg1 O1 88.35(2) 9 16_545 ? O1 Mg1 O1 88.35(2) 14 4_455 ? O1 Mg1 O1 91.65(2) 8_445 4_455 ? O1 Mg1 O1 88.35(2) 15_445 4_455 ? O1 Mg1 O1 91.65(2) 9 4_455 ? O1 Mg1 O1 180.00(3) 16_545 4_455 ? O1 Mg1 Ca1 122.329(18) 14 4_445 ? O1 Mg1 Ca1 57.671(18) 8_445 4_445 ? O1 Mg1 Ca1 81.883(17) 15_445 4_445 ? O1 Mg1 Ca1 98.117(17) 9 4_445 ? O1 Mg1 Ca1 32.789(17) 16_545 4_445 ? O1 Mg1 Ca1 147.211(17) 4_455 4_445 ? O1 Mg1 Ca1 57.671(18) 14 7 ? O1 Mg1 Ca1 122.329(18) 8_445 7 ? O1 Mg1 Ca1 98.117(17) 15_445 7 ? O1 Mg1 Ca1 81.883(17) 9 7 ? O1 Mg1 Ca1 147.211(17) 16_545 7 ? O1 Mg1 Ca1 32.789(17) 4_455 7 ? Ca1 Mg1 Ca1 180.0 4_445 7 ? O1 Mg1 Ca1 81.883(17) 14 4 ? O1 Mg1 Ca1 98.117(17) 8_445 4 ? O1 Mg1 Ca1 147.213(17) 15_445 4 ? O1 Mg1 Ca1 32.787(17) 9 4 ? O1 Mg1 Ca1 57.672(18) 16_545 4 ? O1 Mg1 Ca1 122.328(18) 4_455 4 ? Ca1 Mg1 Ca1 77.273(1) 4_445 4 ? Ca1 Mg1 Ca1 102.727(1) 7 4 ? O1 Mg1 Ca1 98.117(17) 14 7_445 ? O1 Mg1 Ca1 81.883(17) 8_445 7_445 ? O1 Mg1 Ca1 32.787(17) 15_445 7_445 ? O1 Mg1 Ca1 147.213(17) 9 7_445 ? O1 Mg1 Ca1 122.328(18) 16_545 7_445 ? O1 Mg1 Ca1 57.672(18) 4_455 7_445 ? Ca1 Mg1 Ca1 102.727(1) 4_445 7_445 ? Ca1 Mg1 Ca1 77.273(1) 7 7_445 ? Ca1 Mg1 Ca1 180.0 4 7_445 ? O1 Mg1 Ca1 147.212(17) 14 4_455 ? O1 Mg1 Ca1 32.788(17) 8_445 4_455 ? O1 Mg1 Ca1 122.327(18) 15_445 4_455 ? O1 Mg1 Ca1 57.673(18) 9 4_455 ? O1 Mg1 Ca1 98.118(17) 16_545 4_455 ? O1 Mg1 Ca1 81.882(17) 4_455 4_455 ? Ca1 Mg1 Ca1 77.273(1) 4_445 4_455 ? Ca1 Mg1 Ca1 102.727(1) 7 4_455 ? Ca1 Mg1 Ca1 77.273(1) 4 4_455 ? Ca1 Mg1 Ca1 102.727(1) 7_445 4_455 ? O1 Mg1 Ca1 32.788(17) 14 7_545 ? O1 Mg1 Ca1 147.212(17) 8_445 7_545 ? O1 Mg1 Ca1 57.673(18) 15_445 7_545 ? O1 Mg1 Ca1 122.327(18) 9 7_545 ? O1 Mg1 Ca1 81.882(17) 16_545 7_545 ? O1 Mg1 Ca1 98.118(17) 4_455 7_545 ? Ca1 Mg1 Ca1 102.727(1) 4_445 7_545 ? Ca1 Mg1 Ca1 77.273(1) 7 7_545 ? Ca1 Mg1 Ca1 102.727(1) 4 7_545 ? Ca1 Mg1 Ca1 77.273(1) 7_445 7_545 ? Ca1 Mg1 Ca1 180.0 4_455 7_545 ? O1 C1 O1 119.985(1) . 11 ? O1 C1 O1 119.985(1) . 12 ? O1 C1 O1 119.985(1) 11 12 ? O1 C1 Ca1 44.13(3) . 4 ? O1 C1 Ca1 143.90(3) 11 4 ? O1 C1 Ca1 83.84(3) 12 4 ? O1 C1 Ca1 83.85(3) . 4_445 ? O1 C1 Ca1 44.13(3) 11 4_445 ? O1 C1 Ca1 143.90(3) 12 4_445 ? Ca1 C1 Ca1 100.348(1) 4 4_445 ? O1 C1 Ca1 143.91(3) . 4_455 ? O1 C1 Ca1 83.84(3) 11 4_455 ? O1 C1 Ca1 44.13(3) 12 4_455 ? Ca1 C1 Ca1 100.348(1) 4 4_455 ? Ca1 C1 Ca1 100.348(1) 4_445 4_455 ? C1 O1 Mg1 126.78(4) . 7_544 ? C1 O1 Ca1 113.82(4) . 4 ? Mg1 O1 Ca1 118.94(3) 7_544 4 ? _refine_diff_density_max 0.678 _refine_diff_density_min -0.967 _refine_diff_density_rms 0.228 _shelx_res_file ; TITL CD1 shelx.res created by SHELXL-2017/1 at 13:57:07 on 15-Jan-2018 CELL 0.71073 4.80705 4.80705 16.00558 90.000 90.000 120.000 ZERR 3.00 0.00009 0.00009 0.00037 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 WGHT 0.041000 0.202000 BASF 0.99975 FVAR 0.84134 0.98028 CA1 2 10.000000 10.000000 10.000000 10.16667 0.01072 0.01072 = 0.00852 0.00000 0.00000 0.00536 MG1 3 10.000000 10.000000 10.500000 20.16666 0.00883 0.00883 = 0.00902 0.00000 0.00000 0.00442 CO1 2 10.000000 10.000000 10.500000 -20.16660 0.00883 0.00883 = 0.00902 0.00000 0.00000 0.00442 C1 1 10.000000 10.000000 10.242970 10.33333 0.00902 0.00902 = 0.00697 0.00000 0.00000 0.00451 O1 4 0.247701 -0.035339 0.243947 11.00000 0.01025 0.01378 = 0.01348 -0.00309 -0.00203 0.00758 TWIN 1 0 0 -1 -1 0 0 0 -1 REM HKLF 5 LIST 4 HKLF 4 REM CD1 REM R1 = 0.0246 for 293 Fo > 4sig(Fo) and 0.0250 for all 298 data REM 18 parameters refined using 0 restraints END WGHT 0.0416 0.2012 REM Highest difference peak 0.678, deepest hole -0.967, 1-sigma level 0.228 Q1 1 0.4860 -0.0847 0.2207 11.00000 0.05 0.68 Q2 1 0.1850 -0.1835 0.2116 11.00000 0.05 0.66 Q3 1 0.3333 -0.3333 0.2970 10.33333 0.05 0.60 Q4 1 0.3302 -0.1508 0.2383 11.00000 0.05 0.58 Q5 1 0.1269 0.1106 0.3339 11.00000 0.05 0.57 Q6 1 0.2881 0.2506 0.2140 11.00000 0.05 0.57 Q7 1 0.0053 -0.1687 0.0460 11.00000 0.05 0.56 Q8 1 0.3785 0.1078 0.2116 11.00000 0.05 0.56 Q9 1 0.3326 -0.1035 0.2809 11.00000 0.05 0.55 Q10 1 0.1425 -0.0106 0.3060 11.00000 0.05 0.54 ; _shelx_res_checksum 2803 _shelx_hkl_file ; 0 -1 1 105.001 2.690 2 0 -1 1 101.220 2.691 2 0 1 -1 107.236 2.690 2 0 1 -1 100.600 2.688 2 1 -1 -1 104.798 2.793 2 -1 1 1 107.374 2.799 2 2 1 -2 1127.31 27.51 2 2 1 -2 1127.52 32.67 1 -2 -1 2 1138.71 27.75 2 -2 -1 2 1118.07 27.40 2 -2 0 1 1210.53 32.85 2 1 -2 0 1428.52 32.87 2 1 -2 0 1391.88 33.53 2 -1 2 0 1435.82 32.87 2 2 0 -1 1201.80 32.84 2 -1 2 0 1437.80 39.18 1 -1 1 -2 303.439 8.082 2 -1 1 -2 310.099 8.954 1 -1 1 -2 307.434 7.529 2 1 -1 2 304.937 7.521 2 1 -1 2 298.172 7.516 2 0 -2 2 3672.39 88.28 2 0 -2 2 3638.01 88.66 2 0 2 -2 3597.72 105.08 1 0 2 -2 3615.34 88.47 2 0 2 -2 3631.92 88.12 2 -2 1 0 1559.25 37.27 2 2 -1 0 1540.00 37.26 2 2 -1 0 1495.81 37.67 2 0 -2 -1 1023.04 25.82 2 0 -2 -1 1054.43 25.83 2 0 2 1 1072.12 25.81 2 0 2 1 1104.70 30.87 1 -2 2 -1 1127.81 27.37 2 -2 2 -1 1130.19 32.58 1 2 -2 1 1113.76 27.37 2 2 -2 1 1123.91 27.37 2 -1 -2 1 738.796 17.925 2 -1 -2 1 750.457 17.930 2 1 2 -1 722.668 21.475 1 0 -1 -2 318.861 7.645 2 0 1 2 293.279 9.144 1 0 1 2 323.101 7.641 2 2 1 1 1165.60 33.80 1 2 -2 -2 3811.99 96.09 2 -2 2 2 4092.50 96.10 2 -2 2 2 3980.29 114.45 1 -2 0 -2 3610.38 89.16 2 -2 0 -2 3617.19 106.27 1 2 0 2 3729.97 89.16 2 2 0 2 3758.73 89.16 2 1 2 2 2639.73 77.59 1 2 -3 2 2905.00 71.78 2 2 -3 2 2832.86 71.79 2 -2 3 -2 2997.32 72.69 2 -2 3 -2 3088.44 85.57 1 -3 1 2 3017.69 74.60 2 3 -1 -2 3129.05 74.60 2 -1 2 -3 1498.32 36.37 2 -1 2 -3 1526.62 43.37 1 -1 2 -3 1474.35 36.37 2 1 -2 3 1488.74 36.38 2 1 -2 3 1488.44 36.37 2 -3 2 1 1121.85 26.91 2 -3 2 1 1086.57 31.92 1 3 -2 -1 1119.90 26.91 2 3 -2 -1 1084.09 26.90 2 -3 -1 1 84.5875 2.1614 2 -2 1 -3 4371.94 103.19 2 -2 1 -3 4271.26 122.93 1 -2 1 -3 4391.29 103.19 2 2 -1 3 4079.04 103.18 2 2 -1 3 4158.69 103.17 2 2 -1 -3 1636.00 40.65 2 -2 1 3 1707.41 40.67 2 -3 1 -1 758.593 18.468 2 3 -1 1 755.227 18.618 2 3 -1 1 754.454 18.457 2 -3 2 -2 1211.00 34.57 1 -3 2 -2 1180.44 29.08 2 3 -2 2 1185.64 29.08 2 3 -2 2 1194.16 29.08 2 -3 -1 -2 7.51821 0.62357 1 3 -4 4 1591.59 38.95 2 -3 4 -4 1599.36 46.39 1 2 3 -4 237.749 7.255 1 -4 2 3 243.907 6.127 2 3 -4 1 10.2874 0.5535 2 -3 4 -1 9.96734 0.62616 1 -1 3 -4 2072.61 49.63 2 -1 3 -4 2082.89 59.22 1 1 -3 4 2007.77 49.63 2 1 -3 4 2001.60 50.88 2 3 -4 -2 801.646 19.798 2 -3 4 2 808.999 23.547 1 2 -4 3 227.303 5.770 2 -2 4 -3 226.711 6.927 1 1 2 -4 1407.07 41.21 1 1 2 -4 1464.58 34.52 2 -1 -2 4 1397.76 34.54 2 -1 -2 4 1414.38 34.54 2 2 -4 0 1355.31 32.82 2 -2 4 0 1334.03 39.13 1 -2 2 -4 1411.53 34.62 2 -2 2 -4 1403.39 34.60 2 -2 2 -4 1412.58 42.15 1 2 -2 4 1443.56 34.62 2 2 -2 4 1419.73 34.61 2 -2 4 3 0.47828 0.28382 1 -4 4 1 84.7835 2.7353 1 -1 4 -2 6.44749 0.56308 1 0 1 -4 8709.79 214.32 2 0 1 -4 9258.77 255.42 1 0 -1 4 8680.27 214.32 2 0 -1 4 8729.23 214.32 2 -1 4 1 87.4352 2.8974 1 -3 1 -4 1533.33 37.45 2 -3 1 -4 1558.53 37.45 2 -3 1 -4 1510.41 44.58 1 3 -1 4 1554.28 37.44 2 0 4 -4 2900.32 84.07 1 -4 2 0 1376.13 33.75 2 2 0 -4 1406.61 33.66 2 -2 0 4 1369.74 33.67 2 0 4 -1 73.8957 2.5379 1 -1 0 -4 9230.33 225.81 2 -1 0 -4 9123.13 228.45 2 -1 0 -4 9532.20 266.49 1 1 0 4 9256.83 223.59 2 1 0 4 8983.21 223.52 2 0 4 2 1.36124 0.36235 1 1 -1 -4 9999.99 240.92 2 -1 1 4 9952.80 246.17 2 -1 1 4 9874.56 287.07 1 1 4 0 557.787 16.461 1 -2 -1 -4 1980.46 48.46 2 2 1 4 2018.21 57.90 1 1 4 3 88.1930 2.9579 1 -4 4 -2 1.29869 0.34394 1 3 -2 -4 2154.78 51.56 2 -3 2 4 2116.26 51.57 2 -3 2 4 2089.86 61.27 1 0 -2 -4 1371.30 32.12 2 0 2 4 1313.97 38.37 1 0 2 4 1290.29 32.10 2 0 2 4 1299.41 32.34 2 2 4 1 6.49790 0.61154 1 2 -3 -4 1457.15 36.28 2 -2 3 4 1393.03 43.19 1 -2 3 4 1623.66 37.06 2 1 3 4 1498.79 43.59 1 -4 3 -4 4366.26 125.98 1 -4 3 -4 4348.39 105.97 2 -1 4 4 3448.80 99.85 1 2 4 4 554.557 16.477 1 -4 5 -3 95.4474 3.1573 1 -4 5 0 727.043 21.390 1 -1 4 -5 148.811 4.724 1 -4 5 3 3.85371 0.56144 1 -4 4 -5 135.887 4.279 1 -3 5 -5 240.026 7.415 1 -3 5 -2 957.616 28.042 1 1 3 -5 268.535 8.023 1 -3 5 1 868.686 25.514 1 -2 3 -5 1513.72 43.86 1 -2 3 -5 1509.70 36.79 2 -2 3 -5 1512.38 36.80 2 2 -3 5 1485.49 36.80 2 2 -3 5 1528.07 36.80 2 -3 5 4 239.266 7.286 1 -2 5 -4 970.180 28.465 1 -2 5 -1 1.40163 0.40909 1 0 2 -5 63.3058 1.7275 2 0 2 -5 65.3643 2.1193 1 0 -2 5 65.8931 1.7473 2 0 -2 5 66.5480 1.7402 2 -2 5 2 527.776 15.684 1 -3 2 -5 97.8804 2.5626 2 -3 2 -5 93.7532 2.9996 1 -3 2 -5 96.8334 2.5504 2 3 -2 5 94.3664 2.5371 2 3 -2 5 98.0679 2.5557 2 -1 5 -3 1.44725 0.44370 1 2 1 -5 83.7536 2.7109 1 -2 -1 5 93.2016 2.3336 2 -2 -1 5 92.3322 2.5753 2 -1 5 0 1672.67 48.78 1 -1 1 -5 856.932 20.877 2 -1 1 -5 858.977 20.875 2 -1 1 -5 864.403 24.877 1 1 -1 5 861.472 20.871 2 1 -1 5 826.112 20.874 2 -1 5 3 56.5118 2.0659 1 0 5 -5 4.56583 0.61452 1 0 5 -2 343.585 10.446 1 1 0 -5 863.471 25.064 1 1 0 -5 860.158 21.069 2 -1 0 5 877.337 21.072 2 -1 0 5 845.346 21.709 2 0 5 1 211.563 6.571 1 -2 0 -5 66.3864 1.7585 2 -2 0 -5 66.0765 2.1463 1 -2 0 -5 68.1651 1.7622 2 2 0 5 65.4417 1.7350 2 2 0 5 73.0482 1.7484 2 0 5 4 491.235 14.695 1 1 5 -4 343.105 10.426 1 3 -1 -5 1608.57 39.06 2 -3 1 5 1599.66 39.06 2 1 5 -1 48.6879 1.8567 1 0 -1 -5 836.603 20.950 2 0 1 5 865.637 25.006 1 0 1 5 863.602 20.949 2 0 1 5 866.812 21.340 2 1 5 2 429.783 12.933 1 -3 -1 -5 142.775 4.725 1 2 -2 -5 69.0516 1.8923 2 -2 2 5 69.0920 2.1793 1 -2 2 5 72.1031 1.9088 2 -1 -2 -5 1446.63 35.75 2 1 2 5 1500.21 42.80 1 1 -3 -5 93.3449 2.4308 2 -1 3 5 94.3186 2.4250 2 -1 3 5 90.9006 2.9577 1 2 3 5 226.424 6.944 1 -3 4 5 313.147 9.843 1 0 4 5 125.507 4.030 1 -2 5 5 164.620 5.330 1 1 5 5 282.139 8.701 1 -5 6 -5 300.190 9.143 1 -1 5 -6 107.870 3.621 1 -4 5 -6 504.292 15.022 1 -4 6 -4 593.272 17.638 1 -2 4 -6 787.725 23.002 1 2 -4 6 777.409 20.360 2 -4 6 5 106.699 3.579 1 -3 6 -6 283.151 8.743 1 -3 6 -3 58.9681 2.2821 1 -3 3 -6 134.376 3.577 2 -3 3 -6 135.738 3.588 2 -3 3 -6 134.614 4.246 1 3 -3 6 141.259 3.593 2 3 -3 6 136.867 3.586 2 -2 6 -5 352.790 10.826 1 2 2 -6 777.524 20.904 1 -2 6 -2 653.016 21.287 1 -1 2 -6 4756.03 113.28 2 -1 2 -6 4524.26 135.35 1 -1 2 -6 4791.96 114.53 2 1 -2 6 4672.93 113.29 2 1 -2 6 4602.59 113.73 2 -4 2 -6 1059.95 30.84 1 -1 6 -4 265.889 8.402 1 1 1 -6 2303.51 57.15 2 1 1 -6 2433.90 68.52 1 -1 -1 6 2320.18 57.16 2 -1 -1 6 2360.16 57.16 2 -2 1 -6 2493.62 71.44 1 -2 1 -6 2435.26 59.94 2 -2 1 -6 2459.64 59.95 2 2 -1 6 2467.36 59.94 2 2 -1 6 2482.86 59.94 2 -1 6 5 0.82520 0.44706 1 0 6 -6 248.152 7.887 1 0 6 -3 251.134 7.895 1 0 0 -6 2029.12 50.22 2 0 0 -6 2056.79 49.51 2 0 0 -6 1996.34 59.40 1 0 0 6 2062.22 49.51 2 0 0 6 1998.87 49.51 2 1 6 -5 3.23301 0.59263 1 2 -1 -6 4885.94 113.32 2 2 -1 -6 4533.99 134.90 1 -2 1 6 4595.05 113.30 2 -1 -1 -6 4796.60 136.57 1 -1 -1 -6 4521.02 114.39 2 -1 -1 -6 4604.80 114.44 2 1 1 6 5035.82 114.04 2 1 1 6 4802.50 114.04 2 1 1 6 4467.45 136.00 1 1 6 4 197.174 6.350 1 -4 2 6 816.456 20.078 2 1 -2 -6 2459.49 59.18 2 -1 2 6 2368.39 59.18 2 -1 2 6 2480.77 70.54 1 2 2 6 804.625 23.553 1 3 -3 -6 104.736 2.821 2 -3 3 6 105.088 3.248 1 0 -3 -6 134.856 3.378 2 0 3 6 134.571 3.330 2 0 3 6 130.998 4.189 1 -2 4 6 974.099 28.457 1 1 4 6 447.880 13.387 1 -1 5 6 70.1498 2.5204 1 2 5 6 19.5547 1.1247 1 -3 6 6 381.092 11.563 1 0 6 6 349.707 10.773 1 -1 6 -7 2.30022 0.59308 1 -4 6 -7 60.0964 2.3153 1 -5 7 -6 24.6676 1.3398 1 1 5 -7 324.869 9.976 1 -2 5 -7 129.862 4.298 1 -4 7 -5 100.652 3.604 1 -4 7 -2 2.40448 0.60924 1 0 4 -7 5.45333 0.60151 1 -4 7 1 30.8830 2.1161 1 -3 4 -7 162.821 5.102 1 -4 7 4 1219.46 35.84 1 -3 7 -7 13.3177 1.0480 1 -3 7 -4 454.652 13.930 1 -3 7 -1 184.674 6.053 1 -1 3 -7 126.665 4.083 1 1 -3 7 131.650 3.412 2 -3 7 2 124.891 4.246 1 -4 3 -7 4.07496 0.48683 1 -3 7 5 0.91462 0.50856 1 -2 7 -6 356.109 11.151 1 -2 7 -3 25.0801 1.4364 1 1 2 -7 1301.39 38.24 1 -1 -2 7 1331.55 32.08 2 -2 7 0 241.190 7.715 1 -2 2 -7 17.6962 0.6848 2 -2 2 -7 19.1974 0.8695 1 -2 2 -7 19.4840 0.6892 2 2 -2 7 18.4079 0.6802 2 2 -2 7 19.3998 0.7054 2 -2 7 3 234.103 7.504 1 -2 7 6 192.764 6.345 1 -1 7 -5 62.7976 2.5998 1 -1 7 -2 38.8298 1.8621 1 0 1 -7 67.6020 1.8176 2 0 1 -7 67.0890 2.1707 1 0 1 -7 67.2380 1.8138 2 0 -1 7 66.9603 2.6272 2 0 -1 7 64.8267 1.8086 2 -1 7 1 19.8561 1.2439 1 -3 1 -7 1381.39 40.31 1 -3 1 -7 1394.70 33.82 2 -1 7 4 556.832 16.892 1 2 0 -7 18.2627 0.6921 2 2 0 -7 18.7609 0.7213 1 -2 0 7 19.9015 0.6782 2 -2 0 7 19.7765 0.6729 2 -1 0 -7 65.5109 1.7662 2 -1 0 -7 65.4453 2.1446 1 -1 0 -7 66.9204 1.7695 2 1 0 7 65.5613 1.7598 2 1 -1 -7 69.5006 1.8566 2 1 -1 -7 71.4639 2.1885 1 -1 1 7 65.4454 1.8973 2 -1 1 7 66.4421 1.8463 2 -2 -1 -7 131.594 4.057 1 -2 -1 -7 130.336 3.268 2 -2 -1 -7 128.889 3.265 2 3 -2 -7 141.766 3.777 2 -3 2 7 147.111 3.801 2 0 -2 -7 18.5027 0.6112 2 0 2 7 18.4097 0.8387 1 0 2 7 20.5871 0.6144 2 0 2 7 18.0965 0.6462 2 -3 -2 -7 135.370 4.334 1 -2 3 7 1373.61 39.91 1 1 3 7 159.284 5.000 1 -1 4 7 4.28723 0.49935 1 2 4 7 54.7257 2.0937 1 -3 5 7 135.808 4.359 1 0 5 7 13.0292 0.8760 1 -2 6 7 346.101 10.622 1 -4 7 7 2.24463 0.54942 1 -4 7 -8 864.632 25.623 1 -2 6 -8 161.944 5.308 1 -5 6 -8 153.825 5.041 1 0 5 -8 568.558 16.950 1 -3 5 -8 580.898 17.288 1 -1 4 -8 3238.03 93.90 1 -4 4 -8 2544.49 73.83 1 1 3 -8 974.017 28.469 1 -2 3 -8 503.920 15.268 1 -2 3 -8 524.646 12.782 2 2 -3 8 516.938 12.794 2 2 -3 8 518.642 12.778 2 0 2 -8 1565.13 38.17 2 0 2 -8 1539.01 39.39 2 0 2 -8 1595.81 45.51 1 0 -2 8 1575.67 38.17 2 0 -2 8 1550.68 38.17 2 -3 2 -8 2420.46 70.48 1 -3 2 -8 2443.08 59.15 2 2 1 -8 2089.50 60.61 1 -2 -1 8 2098.44 50.93 2 -1 1 -8 5408.33 132.03 2 -1 1 -8 5464.87 132.04 2 -1 1 -8 5520.08 157.37 1 1 -1 8 5395.38 133.13 2 1 -1 8 5432.64 132.03 2 -4 1 -8 1074.12 31.32 1 1 0 -8 5385.23 157.43 1 1 0 -8 5360.05 132.14 2 1 0 -8 5486.80 132.14 2 -1 0 8 5607.72 132.15 2 -1 0 8 5407.11 133.34 2 -2 0 -8 1466.48 36.23 2 -2 0 -8 1482.27 36.63 2 -2 0 -8 1509.95 43.24 1 2 0 8 1492.24 36.21 2 -3 1 8 522.343 12.910 2 0 -1 -8 5471.72 159.53 1 0 -1 -8 5470.48 132.51 2 0 -1 -8 5421.74 132.83 2 0 1 8 5498.57 133.09 2 -3 -1 -8 3276.10 95.24 1 2 -2 -8 1591.37 46.87 1 2 -2 -8 1657.67 39.40 2 -2 2 8 1601.55 39.38 2 -1 -2 -8 504.065 12.437 2 1 2 8 506.066 14.921 1 -1 3 8 2390.01 69.31 1 2 3 8 559.528 16.609 1 -3 4 8 995.147 29.049 1 0 4 8 2436.40 70.77 1 -2 5 8 643.994 19.087 1 1 5 8 135.050 4.504 1 -4 6 8 511.493 15.293 1 -1 6 8 302.950 9.409 1 -3 7 8 450.293 13.729 1 -2 7 -9 184.644 6.157 1 -5 7 -9 103.563 3.634 1 0 6 -9 15.3634 1.1453 1 -3 6 -9 28.9865 1.4715 1 -1 5 -9 188.235 6.040 1 -4 5 -9 14.3304 0.9452 1 1 4 -9 107.812 3.551 1 -2 4 -9 2.63671 0.49981 1 0 3 -9 122.805 3.939 1 -3 3 -9 384.355 11.491 1 -1 2 -9 1448.86 34.88 2 -1 2 -9 1415.20 41.57 1 -1 2 -9 1456.74 34.88 2 1 -2 9 1436.41 34.88 2 1 -2 9 1393.38 34.87 2 -4 2 -9 184.474 5.699 1 1 1 -9 558.185 13.712 2 1 1 -9 555.851 13.710 2 1 1 -9 562.495 16.315 1 -1 -1 9 556.446 13.717 2 -1 -1 9 553.377 13.712 2 -2 1 -9 560.352 13.850 2 -2 1 -9 573.903 16.533 1 -2 1 -9 565.061 15.060 2 2 -1 9 562.709 14.108 2 2 -1 9 549.403 13.832 2 0 0 -9 1402.82 41.03 1 0 0 -9 1409.92 34.43 2 0 0 -9 1402.38 34.43 2 0 0 9 1434.39 34.43 2 0 0 9 1420.17 34.43 2 -3 0 -9 114.640 3.678 1 2 -1 -9 1454.71 42.64 1 2 -1 -9 1482.04 35.88 2 -2 1 9 1458.66 35.87 2 -2 1 9 1490.90 35.88 2 -1 -1 -9 1444.14 35.10 2 -1 -1 -9 1429.49 35.09 2 -1 -1 -9 1412.06 41.93 1 1 1 9 1483.43 35.08 2 1 -2 -9 588.294 17.772 1 1 -2 -9 587.008 14.224 2 -1 2 9 570.588 14.200 2 -1 2 9 564.391 14.200 2 -1 2 9 578.430 16.949 1 -2 -2 -9 2.19126 0.42603 1 3 -3 -9 116.953 3.774 1 -3 3 9 117.607 3.640 1 0 3 9 386.548 11.560 1 -3 -3 -9 29.5647 1.3912 1 -2 4 9 168.162 5.254 1 1 4 9 12.5260 0.8393 1 -1 5 9 60.5306 2.2794 1 -2 -5 -9 104.427 5.663 1 2 5 9 100.114 3.551 1 -3 6 9 76.8155 2.7870 1 0 6 9 205.205 6.643 1 -2 7 9 11.1701 0.9914 1 -3 7 -10 154.912 5.173 1 -1 6 -10 407.282 12.417 1 -4 6 -10 176.719 5.758 1 1 5 -10 167.739 5.463 1 -2 5 -10 220.386 6.948 1 -5 5 -10 382.424 11.588 1 0 4 -10 6.96411 0.70144 1 -3 4 -10 350.126 10.565 1 -1 3 -10 1081.22 31.73 1 1 -3 10 1090.09 26.61 2 -4 3 -10 3.00993 0.52214 1 1 2 -10 854.287 24.968 1 -2 2 -10 2089.45 60.84 1 -2 2 -10 2119.65 52.32 2 -2 2 -10 2093.43 51.05 2 2 -2 10 2079.04 52.65 2 0 1 -10 356.708 8.933 2 0 1 -10 359.985 10.639 1 0 1 -10 356.739 8.927 2 0 -1 10 361.665 8.936 2 0 -1 10 356.631 9.146 2 -3 1 -10 870.481 25.470 1 2 0 -10 2129.46 62.21 1 -2 0 10 2168.24 52.31 2 -1 0 -10 353.694 8.856 2 -1 0 -10 354.560 8.854 2 -1 0 -10 369.519 11.268 1 1 0 10 350.341 8.840 2 1 0 10 355.689 8.844 2 -4 0 -10 7.45988 0.67218 1 1 -1 -10 357.183 10.529 1 1 -1 -10 354.568 8.856 2 -1 1 10 354.665 8.847 2 -1 1 10 355.223 8.851 2 -2 -1 -10 1076.56 32.08 1 3 -2 -10 1224.94 30.00 2 0 -2 -10 2122.61 61.65 1 -3 -2 -10 242.455 7.509 1 -2 3 10 859.283 25.118 1 -1 -3 -10 355.308 10.847 1 1 3 10 361.926 10.818 1 -1 4 10 2.74080 0.47195 1 -2 -4 -10 160.067 5.271 1 2 4 10 161.967 5.241 1 -3 5 10 1120.27 32.82 1 0 5 10 343.929 10.546 1 -2 6 10 236.857 7.499 1 -4 7 -11 5.90604 0.81991 1 -2 6 -11 18.3542 1.2025 1 -5 6 -11 12.9820 1.0252 1 0 5 -11 118.309 4.020 1 -3 5 -11 506.271 15.200 1 -1 4 -11 8.23253 0.75491 1 -4 4 -11 11.3215 0.8745 1 1 3 -11 13.9619 0.8626 1 -2 3 -11 114.123 4.012 1 0 2 -11 325.754 9.964 1 0 -2 11 341.355 8.375 2 -3 2 -11 274.184 8.321 1 -1 1 -11 17.8356 1.0865 2 -1 1 -11 16.9765 0.7319 2 -1 1 -11 16.1032 0.9029 1 1 -1 11 18.4874 0.7137 2 1 -1 11 17.5700 0.6890 2 -4 1 -11 15.9957 0.9625 1 1 0 -11 18.9796 0.8585 2 1 0 -11 19.7435 0.8811 1 1 0 -11 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