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 4.8139(2) _cell_length_b 4.8139(2) _cell_length_c 16.0409(8) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 321.92(3) _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 3.158 _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 2.805 _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 966 _diffrn_reflns_av_unetI/netI 0.0295 _diffrn_reflns_av_R_equivalents 0.0446 _diffrn_reflns_limit_h_min -7 _diffrn_reflns_limit_h_max 4 _diffrn_reflns_limit_k_min -3 _diffrn_reflns_limit_k_max 7 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 26 _diffrn_reflns_theta_min 5.053 _diffrn_reflns_theta_max 35.610 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.955 _diffrn_measured_fraction_theta_full 0.970 _diffrn_reflns_Laue_measured_fraction_max 0.955 _diffrn_reflns_Laue_measured_fraction_full 0.970 _diffrn_reflns_point_group_measured_fraction_max 0.955 _diffrn_reflns_point_group_measured_fraction_full 0.970 _reflns_number_total 319 _reflns_number_gt 313 _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 ? _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^)+(0.0307P)^2^+0.4803P] 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 319 _refine_ls_number_parameters 18 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0282 _refine_ls_R_factor_gt 0.0275 _refine_ls_wR_factor_ref 0.0731 _refine_ls_wR_factor_gt 0.0725 _refine_ls_goodness_of_fit_ref 1.254 _refine_ls_restrained_S_all 1.254 _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 0.01052(16) Uani 1 6 d S T P . . Mg1 Mg 0.000000 0.000000 0.500000 0.0086(2) Uani 0.718(5) 6 d S T P . . Co1 Co 0.000000 0.000000 0.500000 0.0086(2) Uani 0.282(5) 6 d S T P . . C1 C 0.000000 0.000000 0.24307(11) 0.0093(3) Uani 1 3 d S T P . . O1 O 0.2490(2) -0.0324(2) 0.24416(5) 0.0131(2) 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 0.01080(19) 0.01080(19) 0.0100(2) 0.000 0.000 0.00540(9) Mg1 0.0081(3) 0.0081(3) 0.0096(3) 0.000 0.000 0.00407(13) Co1 0.0081(3) 0.0081(3) 0.0096(3) 0.000 0.000 0.00407(13) C1 0.0096(5) 0.0096(5) 0.0087(6) 0.000 0.000 0.0048(2) O1 0.0108(4) 0.0149(4) 0.0160(4) -0.0025(3) -0.0021(3) 0.0082(3) _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 2.3765(9) 17_554 ? Ca1 O1 2.3765(9) 5_445 ? Ca1 O1 2.3765(9) 13 ? Ca1 O1 2.3765(9) 7_444 ? Ca1 O1 2.3765(9) 18_544 ? Ca1 O1 2.3765(9) 6_455 ? Ca1 C1 3.1339(8) 13 ? Ca1 C1 3.1339(8) 7_444 ? Ca1 C1 3.1339(8) 13_445 ? Ca1 C1 3.1339(8) 7_554 ? Ca1 C1 3.1339(8) 7_544 ? Ca1 C1 3.1339(8) 13_455 ? Mg1 O1 2.0970(9) 14 ? Mg1 O1 2.0970(9) 8_445 ? Mg1 O1 2.0970(9) 15_445 ? Mg1 O1 2.0970(9) 9 ? Mg1 O1 2.0970(9) 16_545 ? Mg1 O1 2.0970(9) 4_455 ? C1 O1 1.2840(9) 12 ? C1 O1 1.2840(9) 11 ? C1 O1 1.2840(9) . ? 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(4) 17_554 5_445 ? O1 Ca1 O1 92.49(3) 17_554 13 ? O1 Ca1 O1 87.51(3) 5_445 13 ? O1 Ca1 O1 87.51(3) 17_554 7_444 ? O1 Ca1 O1 92.49(3) 5_445 7_444 ? O1 Ca1 O1 180.00(3) 13 7_444 ? O1 Ca1 O1 87.51(3) 17_554 18_544 ? O1 Ca1 O1 92.49(3) 5_445 18_544 ? O1 Ca1 O1 92.49(3) 13 18_544 ? O1 Ca1 O1 87.51(3) 7_444 18_544 ? O1 Ca1 O1 92.49(3) 17_554 6_455 ? O1 Ca1 O1 87.51(3) 5_445 6_455 ? O1 Ca1 O1 87.51(3) 13 6_455 ? O1 Ca1 O1 92.49(3) 7_444 6_455 ? O1 Ca1 O1 180.00(7) 18_544 6_455 ? O1 Ca1 C1 101.38(3) 17_554 13 ? O1 Ca1 C1 78.62(3) 5_445 13 ? O1 Ca1 C1 21.90(3) 13 13 ? O1 Ca1 C1 158.10(3) 7_444 13 ? O1 Ca1 C1 73.09(3) 18_544 13 ? O1 Ca1 C1 106.91(3) 6_455 13 ? O1 Ca1 C1 78.62(3) 17_554 7_444 ? O1 Ca1 C1 101.38(3) 5_445 7_444 ? O1 Ca1 C1 158.10(3) 13 7_444 ? O1 Ca1 C1 21.90(3) 7_444 7_444 ? O1 Ca1 C1 106.91(3) 18_544 7_444 ? O1 Ca1 C1 73.09(3) 6_455 7_444 ? C1 Ca1 C1 180.00(6) 13 7_444 ? O1 Ca1 C1 158.10(3) 17_554 13_445 ? O1 Ca1 C1 21.90(3) 5_445 13_445 ? O1 Ca1 C1 106.91(3) 13 13_445 ? O1 Ca1 C1 73.09(3) 7_444 13_445 ? O1 Ca1 C1 101.38(3) 18_544 13_445 ? O1 Ca1 C1 78.62(3) 6_455 13_445 ? C1 Ca1 C1 100.36(3) 13 13_445 ? C1 Ca1 C1 79.64(3) 7_444 13_445 ? O1 Ca1 C1 21.90(3) 17_554 7_554 ? O1 Ca1 C1 158.10(3) 5_445 7_554 ? O1 Ca1 C1 73.09(3) 13 7_554 ? O1 Ca1 C1 106.91(3) 7_444 7_554 ? O1 Ca1 C1 78.62(3) 18_544 7_554 ? O1 Ca1 C1 101.38(3) 6_455 7_554 ? C1 Ca1 C1 79.64(3) 13 7_554 ? C1 Ca1 C1 100.36(3) 7_444 7_554 ? C1 Ca1 C1 180.00(6) 13_445 7_554 ? O1 Ca1 C1 106.91(3) 17_554 7_544 ? O1 Ca1 C1 73.09(3) 5_445 7_544 ? O1 Ca1 C1 101.38(3) 13 7_544 ? O1 Ca1 C1 78.62(3) 7_444 7_544 ? O1 Ca1 C1 21.90(3) 18_544 7_544 ? O1 Ca1 C1 158.10(3) 6_455 7_544 ? C1 Ca1 C1 79.64(3) 13 7_544 ? C1 Ca1 C1 100.36(3) 7_444 7_544 ? C1 Ca1 C1 79.64(3) 13_445 7_544 ? C1 Ca1 C1 100.36(3) 7_554 7_544 ? O1 Ca1 C1 73.09(3) 17_554 13_455 ? O1 Ca1 C1 106.91(3) 5_445 13_455 ? O1 Ca1 C1 78.62(3) 13 13_455 ? O1 Ca1 C1 101.38(3) 7_444 13_455 ? O1 Ca1 C1 158.10(3) 18_544 13_455 ? O1 Ca1 C1 21.90(3) 6_455 13_455 ? C1 Ca1 C1 100.36(3) 13 13_455 ? C1 Ca1 C1 79.64(3) 7_444 13_455 ? C1 Ca1 C1 100.36(3) 13_445 13_455 ? C1 Ca1 C1 79.64(3) 7_554 13_455 ? C1 Ca1 C1 180.00(6) 7_544 13_455 ? O1 Mg1 O1 180.0 14 8_445 ? O1 Mg1 O1 88.44(3) 14 15_445 ? O1 Mg1 O1 91.56(3) 8_445 15_445 ? O1 Mg1 O1 91.56(3) 14 9 ? O1 Mg1 O1 88.44(3) 8_445 9 ? O1 Mg1 O1 180.0 15_445 9 ? O1 Mg1 O1 91.56(3) 14 16_545 ? O1 Mg1 O1 88.44(3) 8_445 16_545 ? O1 Mg1 O1 91.56(3) 15_445 16_545 ? O1 Mg1 O1 88.44(3) 9 16_545 ? O1 Mg1 O1 88.44(3) 14 4_455 ? O1 Mg1 O1 91.56(3) 8_445 4_455 ? O1 Mg1 O1 88.44(3) 15_445 4_455 ? O1 Mg1 O1 91.56(3) 9 4_455 ? O1 Mg1 O1 180.00(4) 16_545 4_455 ? O1 Mg1 Ca1 122.12(2) 14 4_445 ? O1 Mg1 Ca1 57.88(2) 8_445 4_445 ? O1 Mg1 Ca1 81.89(2) 15_445 4_445 ? O1 Mg1 Ca1 98.11(2) 9 4_445 ? O1 Mg1 Ca1 32.62(2) 16_545 4_445 ? O1 Mg1 Ca1 147.38(2) 4_455 4_445 ? O1 Mg1 Ca1 57.88(2) 14 7 ? O1 Mg1 Ca1 122.12(2) 8_445 7 ? O1 Mg1 Ca1 98.11(2) 15_445 7 ? O1 Mg1 Ca1 81.89(2) 9 7 ? O1 Mg1 Ca1 147.38(2) 16_545 7 ? O1 Mg1 Ca1 32.62(2) 4_455 7 ? Ca1 Mg1 Ca1 180.0 4_445 7 ? O1 Mg1 Ca1 81.89(2) 14 4 ? O1 Mg1 Ca1 98.11(2) 8_445 4 ? O1 Mg1 Ca1 147.38(2) 15_445 4 ? O1 Mg1 Ca1 32.62(2) 9 4 ? O1 Mg1 Ca1 57.88(2) 16_545 4 ? O1 Mg1 Ca1 122.12(3) 4_455 4 ? Ca1 Mg1 Ca1 77.239(3) 4_445 4 ? Ca1 Mg1 Ca1 102.761(3) 7 4 ? O1 Mg1 Ca1 98.11(2) 14 7_445 ? O1 Mg1 Ca1 81.89(2) 8_445 7_445 ? O1 Mg1 Ca1 32.62(2) 15_445 7_445 ? O1 Mg1 Ca1 147.38(2) 9 7_445 ? O1 Mg1 Ca1 122.12(2) 16_545 7_445 ? O1 Mg1 Ca1 57.88(3) 4_455 7_445 ? Ca1 Mg1 Ca1 102.761(3) 4_445 7_445 ? Ca1 Mg1 Ca1 77.239(3) 7 7_445 ? Ca1 Mg1 Ca1 180.0 4 7_445 ? O1 Mg1 Ca1 147.38(2) 14 4_455 ? O1 Mg1 Ca1 32.62(2) 8_445 4_455 ? O1 Mg1 Ca1 122.12(2) 15_445 4_455 ? O1 Mg1 Ca1 57.88(2) 9 4_455 ? O1 Mg1 Ca1 98.11(2) 16_545 4_455 ? O1 Mg1 Ca1 81.89(2) 4_455 4_455 ? Ca1 Mg1 Ca1 77.239(3) 4_445 4_455 ? Ca1 Mg1 Ca1 102.761(3) 7 4_455 ? Ca1 Mg1 Ca1 77.239(3) 4 4_455 ? Ca1 Mg1 Ca1 102.761(3) 7_445 4_455 ? O1 Mg1 Ca1 32.62(2) 14 7_545 ? O1 Mg1 Ca1 147.38(2) 8_445 7_545 ? O1 Mg1 Ca1 57.88(2) 15_445 7_545 ? O1 Mg1 Ca1 122.12(2) 9 7_545 ? O1 Mg1 Ca1 81.89(2) 16_545 7_545 ? O1 Mg1 Ca1 98.11(2) 4_455 7_545 ? Ca1 Mg1 Ca1 102.761(3) 4_445 7_545 ? Ca1 Mg1 Ca1 77.239(3) 7 7_545 ? Ca1 Mg1 Ca1 102.761(3) 4 7_545 ? Ca1 Mg1 Ca1 77.239(3) 7_445 7_545 ? Ca1 Mg1 Ca1 180.0 4_455 7_545 ? O1 C1 O1 119.983(5) 12 11 ? O1 C1 O1 119.981(5) 12 . ? O1 C1 O1 119.981(5) 11 . ? O1 C1 Ca1 84.29(5) 12 4 ? O1 C1 Ca1 143.51(9) 11 4 ? O1 C1 Ca1 43.66(5) . 4 ? O1 C1 Ca1 143.51(9) 12 4_445 ? O1 C1 Ca1 43.66(5) 11 4_445 ? O1 C1 Ca1 84.29(5) . 4_445 ? Ca1 C1 Ca1 100.36(3) 4 4_445 ? O1 C1 Ca1 43.66(5) 12 4_455 ? O1 C1 Ca1 84.29(5) 11 4_455 ? O1 C1 Ca1 143.51(9) . 4_455 ? Ca1 C1 Ca1 100.36(3) 4 4_455 ? Ca1 C1 Ca1 100.36(3) 4_445 4_455 ? C1 O1 Mg1 126.21(8) . 7_544 ? C1 O1 Ca1 114.44(7) . 4 ? Mg1 O1 Ca1 118.97(4) 7_544 4 ? _refine_diff_density_max 0.404 _refine_diff_density_min -0.555 _refine_diff_density_rms 0.129 _shelx_res_file ; TITL CD6 shelx.res created by SHELXL-2017/1 at 13:32:05 on 15-Jan-2018 CELL 0.71073 4.8139 4.8139 16.0409 90.000 90.000 120.000 ZERR 3.00 0.0002 0.0002 0.0008 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 WGHT 0.030700 0.480300 FVAR 0.75499 0.71753 CA1 2 0.000000 0.000000 0.000000 10.16667 0.01080 0.01080 = 0.00997 0.00000 0.00000 0.00540 MG1 3 10.000000 10.000000 10.500000 20.16666 0.00814 0.00814 = 0.00963 0.00000 0.00000 0.00407 CO1 5 10.000000 10.000000 10.500000 -20.16660 0.00814 0.00814 = 0.00963 0.00000 0.00000 0.00407 C1 1 0.000000 0.000000 0.243066 10.33333 0.00955 0.00955 = 0.00875 0.00000 0.00000 0.00478 O1 4 0.249044 -0.032353 0.244163 11.00000 0.01084 0.01494 = 0.01596 -0.00246 -0.00214 0.00818 HKLF 4 REM CD6 REM R1 = 0.0275 for 313 Fo > 4sig(Fo) and 0.0282 for all 319 data REM 18 parameters refined using 0 restraints END WGHT 0.0304 0.4871 REM Highest difference peak 0.404, deepest hole -0.555, 1-sigma level 0.129 Q1 1 0.3178 0.0670 0.2677 11.00000 0.05 0.40 Q2 1 0.2159 -0.1635 0.2645 11.00000 0.05 0.37 Q3 1 0.1289 -0.2492 0.2291 11.00000 0.05 0.32 Q4 1 0.0875 0.0935 0.1431 11.00000 0.05 0.28 Q5 1 0.1971 -0.2718 0.2918 11.00000 0.05 0.27 Q6 1 -0.2115 -0.3032 0.4587 11.00000 0.05 0.25 Q7 1 -0.1287 -0.0852 0.4716 11.00000 0.05 0.25 Q8 1 0.4447 0.0843 0.2257 11.00000 0.05 0.25 Q9 1 0.3498 0.1040 0.3154 11.00000 0.05 0.24 Q10 1 -0.0598 -0.1366 0.0293 11.00000 0.05 0.24 ; _shelx_res_checksum 89330 _shelx_hkl_file ; 0 -1 1 -0.6310 0.2966 4 0 1 -1 -0.4087 0.2894 4 1 -1 -1 -0.3281 0.3745 4 -1 1 1 0.03376 0.38845 4 -1 1 1 1.03467 0.51443 1 -1 1 1 0.70455 0.26704 3 2 1 -2 2984.53 129.44 1 -2 0 1 453.040 19.452 1 -2 0 1 464.671 17.544 4 2 0 -1 463.834 17.506 4 -1 1 -2 616.112 16.297 3 -1 1 -2 630.516 23.834 4 -1 1 -2 653.185 26.373 1 1 -1 2 596.101 24.576 4 0 -2 2 4084.33 149.81 4 0 2 -2 3823.12 166.58 1 -2 1 0 1857.68 71.17 4 -2 1 0 1856.64 78.65 1 -2 1 0 1880.15 48.73 3 2 -1 0 1906.95 71.16 4 -2 2 -1 460.246 19.492 1 -2 2 -1 463.383 17.627 4 -2 2 -1 463.604 12.011 3 2 -2 1 449.870 17.609 4 1 2 -1 609.063 25.734 1 0 1 2 688.288 29.013 1 -2 -1 -1 931.763 35.769 4 2 1 1 942.331 39.508 1 2 -2 -2 3572.82 139.87 4 -2 2 2 3683.44 95.82 3 -2 2 2 3780.23 154.59 1 -2 2 2 3720.68 139.90 4 -2 0 -2 3681.86 142.78 4 -2 0 -2 3764.38 157.87 1 2 0 2 3733.34 157.87 1 2 0 2 3893.84 143.03 4 1 2 2 1374.05 57.76 1 2 -3 2 1479.85 53.98 4 -2 3 -2 1490.81 53.97 4 -2 3 -2 1284.67 59.61 1 -3 1 2 1541.78 58.54 4 -3 1 2 1527.76 40.02 3 -3 1 2 1551.52 64.70 1 2 -3 -1 548.724 21.836 4 -2 3 1 623.091 14.845 3 -2 3 1 536.803 24.170 1 3 2 -2 1127.08 47.63 1 -3 2 1 897.596 34.902 4 -3 2 1 922.613 38.588 1 -3 2 1 929.934 23.859 3 3 -2 -1 906.894 34.887 4 1 -3 1 875.686 31.892 4 -1 3 -1 794.959 35.269 1 -3 -1 1 52.2497 2.5995 1 -3 -1 1 47.1244 2.0516 4 3 1 -1 53.6296 2.6268 1 1 -3 -2 2342.02 77.28 4 -2 1 -3 1983.61 52.90 3 -2 1 -3 1873.11 77.45 4 -2 1 -3 1837.27 85.37 1 2 -1 3 1943.96 77.24 4 -1 3 2 2240.33 85.46 1 0 -3 0 4303.38 173.25 4 -3 0 0 4833.23 173.28 4 -3 0 0 4552.82 192.61 1 0 3 0 4624.35 191.64 1 -3 1 -1 627.159 16.465 3 -3 1 -1 632.685 24.151 4 -3 1 -1 632.985 28.826 1 3 2 1 500.984 21.575 1 -3 2 -2 2948.86 113.09 4 -3 2 -2 2951.31 77.43 3 -3 2 -2 3007.18 126.99 1 3 -2 2 3021.99 114.12 4 2 3 -1 40.9155 2.3893 1 3 1 2 803.331 34.080 1 -3 3 -3 41.2429 2.3561 1 -3 3 -3 42.3197 1.3010 3 -3 3 -3 41.6495 2.0124 4 3 -3 3 43.0097 3.5518 4 3 3 3 1.09226 0.77933 1 -3 4 -4 3400.18 142.58 1 -4 2 3 31.4817 2.0543 1 -4 2 3 29.7564 1.0557 3 -3 4 -1 17.6661 1.4239 1 -1 3 -4 1683.67 64.15 4 -1 3 -4 1531.14 69.64 1 1 -3 4 1766.97 63.08 4 -3 4 2 25.4722 0.8447 3 -3 4 2 27.9178 1.7703 1 -4 3 2 750.773 20.732 3 -4 3 2 787.476 33.649 1 -4 3 2 838.650 30.500 4 1 2 -4 2110.69 89.25 1 -1 -2 4 2106.49 79.84 4 -2 2 -4 1564.84 61.35 4 -2 2 -4 1608.71 41.98 3 -2 2 -4 1613.38 67.94 1 2 -2 4 1661.28 61.36 4 -2 4 3 67.0371 3.3517 1 -4 4 1 11.2890 0.6001 3 -4 4 1 13.5592 1.3532 1 3 1 -4 1700.69 59.75 2 -3 -1 4 1790.74 73.28 1 -1 4 -2 698.413 29.657 1 -4 1 1 17.8800 1.3909 1 0 1 -4 9999.99 381.90 4 0 -1 4 9933.83 377.02 4 -1 4 1 52.2873 2.7363 1 -4 -2 1 2.37416 0.75537 1 -3 1 -4 2165.96 81.12 4 -3 1 -4 2110.38 91.94 1 -3 1 -4 2134.90 55.51 3 0 4 -4 3271.24 139.76 1 -4 2 0 1451.71 39.46 3 -4 2 0 1427.79 57.70 4 -4 2 0 1438.19 66.56 1 2 0 -4 1574.61 57.49 4 2 0 -4 1493.58 51.90 2 -2 0 4 1705.89 63.58 1 0 4 -1 13.4454 1.5997 1 -1 0 -4 9448.52 362.13 4 1 0 4 9749.63 413.21 1 1 0 4 9528.61 362.05 4 0 4 2 13.2679 1.1453 1 -4 1 4 4246.40 180.11 1 -4 3 -1 44.5569 1.4316 3 -4 3 -1 45.8600 2.1872 4 -4 3 -1 44.5265 2.5582 1 1 -1 -4 8405.87 275.42 2 -1 1 4 8313.27 209.16 3 -1 1 4 7482.88 337.17 1 -2 -1 -4 1700.89 67.01 4 2 1 4 1747.73 73.52 1 2 1 4 1798.74 59.89 2 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13.033 1 -5 2 2 665.048 17.292 3 -5 2 2 650.719 28.118 1 -2 5 -1 363.772 15.795 1 0 2 -5 149.941 5.859 4 0 2 -5 149.116 6.821 1 0 -2 5 153.549 6.003 4 -2 5 2 928.799 39.484 1 -3 2 -5 860.248 22.563 3 -3 2 -5 863.760 36.535 1 -3 2 -5 853.187 33.048 4 3 -2 5 879.407 33.044 4 -5 3 1 433.766 11.637 3 -5 3 1 443.819 19.030 1 2 1 -5 849.851 29.231 2 -2 -1 5 855.594 35.844 1 -1 1 -5 308.675 12.896 1 -1 1 -5 292.719 11.708 4 1 -1 5 303.822 12.126 4 -1 5 3 22.9332 1.7335 1 -4 1 -5 33.8044 2.0605 1 -5 4 0 759.343 31.549 1 -5 4 0 712.451 19.344 3 0 5 -2 402.572 17.508 1 0 5 1 102.039 4.993 1 -2 0 -5 141.390 6.345 4 2 0 5 141.650 5.545 4 0 5 4 530.550 22.937 1 -5 5 -1 92.9536 4.8764 1 -5 5 -1 99.4308 2.7813 3 -3 1 5 242.349 10.395 1 -3 1 5 240.355 6.374 3 -5 2 -1 38.1371 4.5386 1 -5 2 -1 37.2379 1.2612 3 1 5 -1 63.2835 3.4497 1 0 1 5 311.873 13.342 1 -5 -1 -1 110.681 5.503 1 1 5 2 460.993 20.110 1 3 1 5 136.991 6.344 1 -5 2 5 96.2460 2.7303 3 -5 2 5 89.3119 4.5322 1 -5 3 -2 1036.64 47.78 1 -5 3 -2 1053.60 27.38 3 2 -2 -5 133.009 5.384 4 -2 2 5 132.560 3.622 3 -2 2 5 137.737 5.926 1 -5 0 -2 424.831 22.414 1 1 2 5 220.926 9.651 1 2 5 3 130.583 6.499 1 -4 -2 -5 34.5436 2.3464 1 4 2 5 35.2702 2.4767 1 -5 1 -3 7.55211 1.11443 1 -5 5 -4 552.078 23.950 1 -3 4 5 33.0651 1.0648 3 -3 4 5 36.9393 2.1459 1 -5 2 -4 1016.37 26.35 3 -5 2 -4 998.089 42.794 1 0 4 5 35.9533 2.1225 1 -5 -1 -4 417.830 18.417 1 3 4 5 7.27837 1.29551 1 -5 5 5 19.4349 0.8299 3 -5 5 5 17.9573 1.6332 1 -5 3 -5 268.459 11.898 1 -5 3 -5 265.286 7.191 3 -2 5 5 281.826 12.630 1 -5 0 -5 22.9920 1.8615 1 1 5 5 13.4585 1.7237 1 -5 6 -5 10.1669 1.4186 1 -6 4 5 32.3940 2.3150 1 -6 4 5 32.2516 1.2645 3 -5 6 -2 414.583 18.272 1 -5 6 1 54.0927 3.2448 1 -4 5 -6 120.586 5.790 1 -6 5 4 368.281 16.234 1 -6 5 4 364.174 9.837 3 -4 6 -4 408.763 17.999 1 -6 2 4 453.860 19.751 1 -4 6 -1 92.3158 4.8116 1 -5 4 -6 498.084 21.679 1 -5 4 -6 500.726 13.238 3 -3 6 -6 332.377 14.663 1 -6 3 3 0.94710 0.43998 3 -6 3 3 1.37608 0.94010 1 -3 6 -3 1.62796 0.76345 1 0 3 -6 219.511 9.520 1 -3 3 -6 224.905 10.142 1 -3 3 -6 230.421 9.172 4 3 -3 6 236.723 9.185 4 -2 6 -5 33.1427 2.4386 1 -6 4 2 320.650 8.791 3 -6 4 2 329.548 14.682 1 2 2 -6 935.473 32.065 2 -6 1 2 503.123 21.913 1 -1 2 -6 2855.68 102.63 4 -1 2 -6 2391.86 112.44 1 1 -2 6 2755.41 101.90 4 -4 2 -6 872.046 37.337 1 -4 2 -6 886.803 33.753 4 -4 2 -6 882.396 23.011 3 -6 5 1 94.5258 2.7950 3 -6 5 1 91.6390 4.8638 1 -6 2 1 103.857 5.215 1 1 1 -6 4637.48 177.38 4 1 1 -6 4435.88 159.90 2 -1 -1 6 4953.72 177.00 4 -2 1 -6 4460.05 172.41 4 -2 1 -6 4564.46 118.12 3 -2 1 -6 4518.27 191.02 1 2 -1 6 4668.43 172.41 4 -5 1 -6 187.384 9.527 1 -1 6 5 161.554 8.124 1 -6 6 0 265.882 12.175 1 3 0 -6 229.965 9.061 2 -3 0 6 244.856 10.240 1 -3 0 -6 186.966 8.527 1 -3 0 -6 196.952 7.658 4 -6 4 -1 2.26566 1.03234 1 -6 4 -1 2.34823 0.63094 3 2 -1 -6 2564.22 90.89 2 -2 1 6 2647.99 67.99 3 -2 1 6 2641.37 109.61 1 -6 1 -1 60.5854 3.4623 1 -1 -1 -6 2796.01 103.46 4 1 1 6 2663.22 114.37 1 -4 -1 -6 553.961 23.435 1 1 6 4 525.934 23.637 1 -6 5 -2 485.787 13.012 3 -6 5 -2 492.164 21.450 1 -4 2 6 1141.87 48.16 1 -4 2 6 1141.59 29.81 3 -6 2 -2 611.288 28.065 1 -1 2 6 4039.80 103.62 3 -1 2 6 3949.70 167.55 1 -6 -1 -2 230.572 10.738 1 2 2 6 1108.69 46.91 1 -5 -2 -6 45.9739 3.0625 1 -6 3 6 419.535 19.737 1 -6 3 6 469.269 11.963 3 3 -3 -6 163.380 6.859 4 -3 3 6 176.187 7.613 1 -3 3 6 172.735 4.632 3 0 3 6 202.595 8.948 1 3 3 6 426.808 18.772 1 -5 4 6 488.761 21.216 1 -5 4 6 493.310 13.033 3 -6 4 -4 597.360 25.545 1 -6 4 -4 579.492 15.599 3 -2 4 6 775.847 32.959 1 -6 1 -4 280.168 12.667 1 1 4 6 121.689 5.804 1 -6 5 -5 166.852 9.045 1 -4 5 6 188.070 8.689 1 -6 2 -5 186.730 8.777 1 -1 5 6 479.982 20.899 1 -6 -1 -5 3.70237 2.12177 1 2 5 6 212.661 9.980 1 -6 6 -6 334.122 13.705 1 -6 6 6 267.376 13.529 1 -6 3 -6 330.008 9.040 3 -6 3 -6 333.931 14.965 1 -3 6 6 342.891 15.060 1 -6 0 -6 283.466 13.791 1 0 6 6 325.405 13.760 1 -7 5 6 41.8189 2.9081 1 -7 5 6 46.3848 1.6575 3 -6 7 -4 474.355 20.981 1 -6 7 -1 0.43923 0.98352 1 -6 7 2 69.7964 4.1296 1 -4 6 -7 154.183 7.324 1 -6 7 5 21.3376 2.0397 1 -5 7 0 296.585 13.597 1 -2 5 -7 155.669 7.072 1 -5 7 3 42.0362 2.8399 1 -5 5 -7 34.0087 2.4260 1 -5 7 6 300.943 13.642 1 -4 7 -5 6.42763 1.20178 1 -7 4 4 1116.25 29.13 3 -7 4 4 1094.67 49.64 1 -4 7 -2 130.629 6.460 1 -4 7 1 73.5160 4.0720 1 -3 4 -7 30.9482 1.9636 1 -4 7 4 452.747 20.180 1 -6 4 -7 15.7618 0.8493 3 -6 4 -7 15.0041 1.7322 1 -7 5 3 16.8437 1.8358 1 -7 5 3 15.1173 0.8984 3 -3 7 -4 988.969 42.334 1 2 3 -7 61.9024 2.7869 2 -3 7 -1 6.47819 1.43118 1 -1 3 -7 648.066 27.371 1 -3 7 2 5.76867 1.26810 1 -4 3 -7 45.9806 1.4769 3 -4 3 -7 46.3203 2.6262 1 -3 7 5 44.1109 3.1045 1 -7 6 2 202.640 5.488 3 -7 6 2 191.114 9.378 1 -7 3 2 156.405 7.618 1 -7 3 2 157.236 4.497 3 -1 -2 7 272.574 10.558 4 -2 7 0 701.638 30.453 1 -2 2 -7 73.2591 3.4472 1 -2 2 -7 75.0140 3.1674 4 2 -2 7 72.9890 3.1308 4 -2 7 3 5.48492 1.23415 1 -5 2 -7 58.3114 1.8001 3 -5 2 -7 58.5909 3.2510 1 -2 7 6 58.2870 3.6014 1 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0.98666 1 4 3 7 2.52962 1.17664 1 -7 4 7 4.12078 0.61652 3 -7 6 -4 223.632 10.539 1 -4 4 7 28.8388 1.0386 3 -4 4 7 27.0894 1.8548 1 -7 3 -4 460.796 12.469 3 -7 3 -4 469.777 20.557 1 -1 4 7 47.4038 2.6518 1 2 4 7 168.096 7.956 1 -6 5 7 169.167 4.703 3 -6 5 7 163.207 7.835 1 -7 4 -5 34.4161 2.6464 1 -7 4 -5 35.2614 1.3742 3 -3 5 7 56.3509 3.0799 1 0 5 7 28.9771 1.9828 1 -4 7 7 33.8978 4.1398 1 -7 3 -7 30.2054 2.4700 1 -7 3 -7 28.7697 1.2158 3 -5 6 -8 316.659 14.193 1 -3 5 -8 528.456 22.697 1 -6 5 -8 177.576 8.504 1 2 4 -8 234.409 8.276 2 -4 4 -8 2425.29 102.00 1 -7 4 -8 857.448 36.204 1 -7 4 -8 818.050 22.128 3 -2 3 -8 2057.59 88.49 1 -5 3 -8 605.857 26.003 1 -5 3 -8 601.112 15.938 3 3 2 -8 622.828 21.502 2 0 2 -8 1697.15 63.94 4 0 -2 8 1624.08 63.06 4 -3 2 -8 691.518 29.614 1 -3 2 -8 690.037 18.276 3 -3 2 -8 711.669 26.847 4 -6 2 -8 228.217 10.581 1 -6 2 -8 228.531 6.279 3 2 1 -8 740.079 27.066 4 2 1 -8 684.425 24.522 2 -1 1 -8 5530.13 206.46 4 -1 1 -8 5410.36 187.50 2 -1 1 -8 5534.98 228.33 1 1 -1 8 5332.96 206.36 4 -4 1 -8 3027.16 128.15 1 -4 1 -8 3000.93 78.29 3 1 0 -8 4066.82 167.38 4 1 0 -8 4776.06 151.06 2 -2 0 -8 1631.08 42.87 3 -2 0 -8 1701.45 62.70 4 -2 0 -8 1609.50 69.31 1 2 0 8 1651.15 69.30 1 -5 0 -8 676.198 29.232 1 3 -1 -8 2214.81 75.72 2 -3 1 8 2234.10 57.40 3 -3 1 8 2176.45 93.62 1 0 1 8 5123.00 132.80 3 0 1 8 5119.92 214.17 1 3 1 8 1098.02 46.55 1 -5 2 8 746.409 19.656 3 -2 2 8 1521.83 40.89 3 -2 2 8 1618.06 65.96 1 -1 -2 -8 2203.48 81.21 4 1 2 8 2074.90 89.87 1 -4 -2 -8 514.129 22.442 1 4 2 8 511.806 22.494 1 -7 3 8 573.912 15.402 3 -4 3 8 1095.34 46.62 1 -4 3 8 1112.02 28.87 3 -1 3 8 695.968 29.605 1 2 3 8 638.816 27.481 1 -6 4 8 506.394 21.818 1 -6 4 8 498.877 13.430 3 -3 4 8 2749.42 71.80 3 -3 4 8 2747.73 115.40 1 0 4 8 2203.29 92.70 1 3 4 8 480.554 23.526 1 -5 5 8 644.173 27.532 1 -5 5 8 631.599 17.695 3 -2 5 8 645.448 27.879 1 1 5 8 318.220 14.290 1 -4 6 8 212.580 9.836 1 -1 6 8 164.463 7.897 1 -3 7 8 1005.63 43.37 1 -6 6 -9 87.7442 4.7604 1 -4 5 -9 9.89390 1.33517 1 -7 5 -9 46.4222 3.2330 1 -2 4 -9 42.3505 2.2653 1 -5 4 -9 0.61840 0.88755 1 3 3 -9 3.23068 0.42582 2 -3 3 -9 159.901 7.203 1 -6 3 -9 2.83410 0.49210 3 -6 3 -9 3.40893 1.17005 1 2 2 -9 9.69920 0.63578 2 -1 2 -9 709.370 26.297 4 -1 2 -9 637.689 28.909 1 1 -2 9 714.110 26.313 4 -4 2 -9 8.20242 1.12329 1 -4 2 -9 10.2402 0.6019 3 -7 2 -9 92.1290 5.2090 1 4 1 -9 0.76979 0.36763 2 1 1 -9 768.021 26.947 2 1 1 -9 797.109 29.825 4 -2 1 -9 793.006 30.549 4 -2 1 -9 814.192 27.576 2 -2 1 -9 797.688 33.699 1 2 -1 9 794.381 30.521 4 2 -1 9 792.950 20.805 3 -5 1 -9 76.7734 4.1305 1 3 0 -9 163.409 5.937 2 0 0 -9 653.769 24.803 4 0 0 9 643.095 16.928 3 0 0 9 648.250 27.224 1 -3 0 -9 34.4104 1.0813 3 -3 0 -9 31.3412 1.9990 1 -6 0 -9 31.2131 2.5169 1 2 -1 -9 703.722 24.552 2 -2 1 9 712.964 18.565 3 -2 1 9 712.081 29.855 1 -1 -1 -9 735.429 28.168 4 1 1 9 735.266 31.123 1 -4 -1 -9 41.2518 2.6243 1 -4 2 9 57.0600 1.7863 3 1 -2 -9 772.361 27.375 2 -1 2 9 790.601 20.687 3 -1 2 9 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