data_brucemurphyite _audit_creation_method 'SHELXL-2018/3' _shelx_SHELXL_version_number '2018/3' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'Fe0.05 O4 Pb0.95 Te0.60 W0.40' _chemical_formula_weight 413.72 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'W' 'W' -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Pb' 'Pb' -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Te' 'Te' -0.5308 1.6751 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Fe' 'Fe' 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 21/a' _space_group_name_Hall ? _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+1/2, y+1/2, -z' '-x, -y, -z' 'x-1/2, -y-1/2, z' _cell_length_a 13.6089(3) _cell_length_b 5.01750(10) _cell_length_c 5.5767(2) _cell_angle_alpha 90 _cell_angle_beta 107.9280(10) _cell_angle_gamma 90 _cell_volume 362.302(17) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 1549 _cell_measurement_theta_min 3.84 _cell_measurement_theta_max 32.43 _exptl_crystal_description prismatic _exptl_crystal_colour colorless _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 7.585 _exptl_crystal_F_000 688 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.040 _exptl_crystal_size_mid 0.030 _exptl_crystal_size_min 0.030 _exptl_absorpt_coefficient_mu 61.656 _shelx_estimated_absorpt_T_min 0.192 _shelx_estimated_absorpt_T_max 0.259 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.2 _exptl_absorpt_correction_T_max 0.3 _exptl_absorpt_process_details ? _exptl_absorpt_special_details ? _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source ? _diffrn_measurement_device_type Bruker-APEX2 _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 5224 _diffrn_reflns_av_unetI/netI 0.0388 _diffrn_reflns_av_R_equivalents 0.0352 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 20 _diffrn_reflns_limit_k_min -6 _diffrn_reflns_limit_k_max 7 _diffrn_reflns_limit_l_min -8 _diffrn_reflns_limit_l_max 8 _diffrn_reflns_theta_min 3.840 _diffrn_reflns_theta_max 32.664 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.996 _diffrn_measured_fraction_theta_full 0.997 _diffrn_reflns_Laue_measured_fraction_max 0.996 _diffrn_reflns_Laue_measured_fraction_full 0.997 _diffrn_reflns_point_group_measured_fraction_max 0.996 _diffrn_reflns_point_group_measured_fraction_full 0.997 _reflns_number_total 1330 _reflns_number_gt 1138 _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-2018/3 (Sheldrick, 2018)' _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^)+(0.0152P)^2^+1.0894P] 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 'SHELXL-2018/3 (Sheldrick 2018)' _refine_ls_extinction_coef 0.00213(13) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 1330 _refine_ls_number_parameters 58 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0396 _refine_ls_R_factor_gt 0.0290 _refine_ls_wR_factor_ref 0.0490 _refine_ls_wR_factor_gt 0.0467 _refine_ls_goodness_of_fit_ref 1.054 _refine_ls_restrained_S_all 1.054 _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 Pb Pb 0.15764(2) 0.19928(6) 0.16006(6) 0.02149(11) Uani 0.952(10) 1 d . . P . . Fe Fe 0.15764(2) 0.19928(6) 0.16006(6) 0.02149(11) Uani 0.048(10) 1 d . . P . . Te Te 0.07390(2) 0.75045(6) 0.59889(6) 0.00968(12) Uani 0.598(17) 1 d . . P . . W W 0.07390(2) 0.75045(6) 0.59889(6) 0.00968(12) Uani 0.402(17) 1 d . . P . . O1 O 0.0200(3) 0.0557(9) 0.7269(8) 0.0148(10) Uani 1 1 d . . . . . O2 O 0.0611(3) 0.4358(8) 0.3918(9) 0.0137(10) Uani 1 1 d . . . . . O3 O 0.1472(4) 0.6299(10) 0.9065(9) 0.0211(12) Uani 1 1 d . . . . . O4 O 0.1856(3) 0.8857(9) 0.5272(9) 0.0192(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 Pb 0.01819(16) 0.02458(17) 0.02284(17) -0.00700(11) 0.00800(11) -0.00095(11) Fe 0.01819(16) 0.02458(17) 0.02284(17) -0.00700(11) 0.00800(11) -0.00095(11) Te 0.01000(18) 0.00708(16) 0.01115(17) 0.00120(11) 0.00207(11) -0.00003(11) W 0.01000(18) 0.00708(16) 0.01115(17) 0.00120(11) 0.00207(11) -0.00003(11) O1 0.016(2) 0.014(2) 0.013(2) -0.0004(17) 0.0019(18) 0.0011(17) O2 0.014(2) 0.010(2) 0.022(3) -0.0011(18) 0.013(2) -0.0058(17) O3 0.021(3) 0.023(3) 0.015(2) 0.008(2) 0.000(2) -0.004(2) O4 0.012(2) 0.021(2) 0.023(3) 0.006(2) 0.003(2) -0.0014(19) _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 Pb O2 2.419(4) . ? Pb O4 2.485(5) 2_546 ? Pb O4 2.517(5) 1_545 ? Pb O3 2.562(5) 1_554 ? Pb O1 2.661(4) 1_554 ? Pb O3 2.815(5) 2_546 ? Pb O1 2.969(4) 3_556 ? W O3 1.802(5) . ? W O4 1.818(4) . ? W O1 1.928(4) 1_565 ? W O2 1.932(4) . ? W O2 2.076(4) 3_566 ? W O1 2.109(4) 3_566 ? 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 O2 Pb O4 86.02(14) . 2_546 ? O2 Pb O4 80.97(15) . 1_545 ? O4 Pb O4 77.42(10) 2_546 1_545 ? O2 Pb O3 86.22(15) . 1_554 ? O4 Pb O3 87.70(15) 2_546 1_554 ? O4 Pb O3 160.93(16) 1_545 1_554 ? O2 Pb O1 105.75(14) . 1_554 ? O4 Pb O1 162.08(15) 2_546 1_554 ? O4 Pb O1 117.21(14) 1_545 1_554 ? O3 Pb O1 79.81(14) 1_554 1_554 ? O2 Pb O3 145.19(14) . 2_546 ? O4 Pb O3 59.86(14) 2_546 2_546 ? O4 Pb O3 96.75(14) 1_545 2_546 ? O3 Pb O3 85.75(12) 1_554 2_546 ? O1 Pb O3 106.04(13) 1_554 2_546 ? O2 Pb O1 59.09(13) . 3_556 ? O4 Pb O1 126.32(14) 2_546 3_556 ? O4 Pb O1 59.13(13) 1_545 3_556 ? O3 Pb O1 124.75(13) 1_554 3_556 ? O1 Pb O1 71.60(14) 1_554 3_556 ? O3 Pb O1 146.91(13) 2_546 3_556 ? O3 W O4 94.5(2) . . ? O3 W O1 94.4(2) . 1_565 ? O4 W O1 103.0(2) . 1_565 ? O3 W O2 102.5(2) . . ? O4 W O2 95.81(19) . . ? O1 W O2 153.64(19) 1_565 . ? O3 W O2 93.4(2) . 3_566 ? O4 W O2 168.46(19) . 3_566 ? O1 W O2 84.71(17) 1_565 3_566 ? O2 W O2 74.30(19) . 3_566 ? O3 W O1 170.1(2) . 3_566 ? O4 W O1 87.96(19) . 3_566 ? O1 W O1 75.75(19) 1_565 3_566 ? O2 W O1 86.72(18) . 3_566 ? O2 W O1 85.59(18) 3_566 3_566 ? O3 W Te 134.26(16) . 3_576 ? O4 W Te 96.43(15) . 3_576 ? O1 W Te 39.88(13) 1_565 3_576 ? O2 W Te 120.25(14) . 3_576 ? O2 W Te 83.88(12) 3_566 3_576 ? O1 W Te 35.88(12) 3_566 3_576 ? O3 W Te 99.76(15) . 3_566 ? O4 W Te 134.24(15) . 3_566 ? O1 W Te 118.80(13) 1_565 3_566 ? O2 W Te 38.71(12) . 3_566 ? O2 W Te 35.59(12) 3_566 3_566 ? O1 W Te 85.15(12) 3_566 3_566 ? Te W Te 103.609(18) 3_576 3_566 ? O3 W Pb 53.30(15) . 2_556 ? O4 W Pb 42.74(15) . 2_556 ? O1 W Pb 112.85(13) 1_565 2_556 ? O2 W Pb 93.50(13) . 2_556 ? O2 W Pb 141.83(12) 3_566 2_556 ? O1 W Pb 130.53(12) 3_566 2_556 ? Te W Pb 131.653(15) 3_576 2_556 ? Te W Pb 123.210(15) 3_566 2_556 ? O3 W Pb 57.90(16) . 1_566 ? O4 W Pb 84.21(15) . 1_566 ? O1 W Pb 42.61(13) 1_565 1_566 ? O2 W Pb 160.23(14) . 1_566 ? O2 W Pb 107.12(12) 3_566 1_566 ? O1 W Pb 113.02(12) 3_566 1_566 ? Te W Pb 79.263(12) 3_576 1_566 ? Te W Pb 139.478(16) 3_566 1_566 ? Pb W Pb 73.069(9) 2_556 1_566 ? O3 W Pb 129.19(15) . 1_565 ? O4 W Pb 35.92(15) . 1_565 ? O1 W Pb 89.50(13) 1_565 1_565 ? O2 W Pb 95.18(12) . 1_565 ? O2 W Pb 137.33(13) 3_566 1_565 ? O1 W Pb 52.16(12) 3_566 1_565 ? Te W Pb 65.725(11) 3_576 1_565 ? Te W Pb 122.156(15) 3_566 1_565 ? Pb W Pb 78.660(9) 2_556 1_565 ? Pb W Pb 96.254(10) 1_566 1_565 ? O3 W Pb 87.80(15) . 3_566 ? O4 W Pb 153.45(15) . 3_566 ? O1 W Pb 50.50(13) 1_565 3_566 ? O2 W Pb 109.52(12) . 3_566 ? O2 W Pb 35.27(12) 3_566 3_566 ? O1 W Pb 85.74(12) 3_566 3_566 ? Te W Pb 64.297(12) 3_576 3_566 ? Te W Pb 70.828(12) 3_566 3_566 ? Pb W Pb 138.823(13) 2_556 3_566 ? Pb W Pb 74.681(9) 1_566 3_566 ? Pb W Pb 130.022(9) 1_565 3_566 ? Te O1 Te 104.25(19) 1_545 3_566 ? Te O1 Pb 108.02(19) 1_545 1_556 ? Te O1 Pb 136.69(19) 3_566 1_556 ? Te O1 Pb 99.43(16) 1_545 3_556 ? Te O1 Pb 93.72(15) 3_566 3_556 ? Pb O1 Pb 108.40(14) 1_556 3_556 ? W O2 Te 105.70(19) . 3_566 ? W O2 Pb 139.2(2) . . ? Te O2 Pb 115.02(18) 3_566 . ? W O3 Pb 136.8(2) . 1_556 ? W O3 Pb 95.81(18) . 2_556 ? Pb O3 Pb 106.41(17) 1_556 2_556 ? W O3 Pb 93.32(18) . 1_566 ? Pb O3 Pb 121.75(17) 1_556 1_566 ? Pb O3 Pb 91.88(13) 2_556 1_566 ? W O4 Pb 107.5(2) . 2_556 ? W O4 Pb 119.0(2) . 1_565 ? Pb O4 Pb 133.49(18) 2_556 1_565 ? _refine_diff_density_max 2.377 _refine_diff_density_min -2.086 _refine_diff_density_rms 0.411 _shelx_res_file ; TITL bruce3 in P2(1)/a bruce3.res created by SHELXL-2018/3 at 05:04:40 on 04-Nov-2021 CELL 0.71073 13.6089 5.0175 5.5767 90.000 107.928 90.000 ZERR 4.00 0.0003 0.0001 0.0002 0.000 0.001 0.000 LATT 1 SYMM 0.5-X, 0.5+Y, -Z SFAC O W PB TE FE UNIT 16 1.6 3.8 2.4 0.2 L.S. 6 BOND FMAP 2 PLAN 20 SIZE 0.04 0.03 0.03 EXYZ W TE EADP W TE EXYZ Pb FE EADP Pb FE CONN 7 2.5 PB ACTA OMIT -13 1 2 WGHT 0.015200 1.089400 EXTI 0.002128 FVAR 0.09187 0.59781 0.95207 PB 3 0.157641 0.199281 0.160065 31.00000 0.01819 0.02458 = 0.02284 -0.00700 0.00800 -0.00095 FE 5 0.157641 0.199281 0.160065 -31.00000 0.01819 0.02458 = 0.02284 -0.00700 0.00800 -0.00095 TE 4 0.073896 0.750451 0.598886 21.00000 0.01000 0.00708 = 0.01115 0.00120 0.00207 -0.00003 W 2 0.073896 0.750451 0.598886 -21.00000 0.01000 0.00708 = 0.01115 0.00120 0.00207 -0.00003 O1 1 0.019963 0.055725 0.726876 11.00000 0.01626 0.01357 = 0.01293 -0.00040 0.00192 0.00115 O2 1 0.061102 0.435814 0.391822 11.00000 0.01384 0.00969 = 0.02230 -0.00110 0.01260 -0.00578 O3 1 0.147163 0.629932 0.906455 11.00000 0.02088 0.02298 = 0.01541 0.00813 -0.00048 -0.00398 O4 1 0.185597 0.885659 0.527244 11.00000 0.01224 0.02078 = 0.02271 0.00592 0.00266 -0.00136 HKLF 4 1 0 0 1 0 -1 0 1 0 0 REM bruce3 in P2(1)/a REM wR2 = 0.0490, GooF = S = 1.054, Restrained GooF = 1.054 for all data REM R1 = 0.0290 for 1138 Fo > 4sig(Fo) and 0.0396 for all 1330 data REM 58 parameters refined using 0 restraints END WGHT 0.0152 1.0989 REM Highest difference peak 2.377, deepest hole -2.086, 1-sigma level 0.411 Q1 1 0.1581 0.0665 0.1260 11.00000 0.05 2.38 Q2 1 0.1388 0.2406 0.0631 11.00000 0.05 1.85 Q3 1 0.0300 0.2049 0.5511 11.00000 0.05 1.77 Q4 1 0.2785 0.8441 0.4072 11.00000 0.05 1.65 Q5 1 0.0599 0.6413 0.4797 11.00000 0.05 1.48 Q6 1 0.0058 -0.0964 0.8529 11.00000 0.05 1.42 Q7 1 0.0257 0.7409 0.4103 11.00000 0.05 1.42 Q8 1 0.2214 0.5393 0.9047 11.00000 0.05 1.34 Q9 1 0.0612 0.8533 0.5022 11.00000 0.05 1.34 Q10 1 0.1119 0.3962 0.3602 11.00000 0.05 1.32 Q11 1 0.0827 0.8046 0.6780 11.00000 0.05 1.30 Q12 1 0.0916 0.9258 0.6818 11.00000 0.05 1.29 Q13 1 0.1900 0.2321 0.1661 11.00000 0.05 1.27 Q14 1 0.2206 0.4143 1.0338 11.00000 0.05 1.25 Q15 1 0.1297 0.1207 0.1878 11.00000 0.05 1.25 Q16 1 0.1253 0.6933 0.7798 11.00000 0.05 1.24 Q17 1 0.0982 0.1927 -0.0584 11.00000 0.05 1.23 Q18 1 0.2100 0.9329 0.4031 11.00000 0.05 1.23 Q19 1 0.2073 0.1988 0.3396 11.00000 0.05 1.22 Q20 1 0.0647 0.3652 0.4961 11.00000 0.05 1.20 ; _shelx_res_checksum 93244 _shelx_hkl_file ; 0 0 -1 -0.19 0.12 0 0 1 -0.07 0.08 0 0 1 0.07 0.08 0 0 1 -0.01 0.05 0 0 3 1.04 0.61 0 0 -3 0.62 0.69 0 0 3 1.46 0.29 0 0 3 0.81 0.40 0 0 3 0.54 0.38 0 0 3 1.77 0.37 0 0 4 444.95 11.03 0 0 4 447.00 10.95 0 0 4 454.20 11.68 0 0 4 412.75 11.27 0 0 -4 429.20 11.75 0 0 4 444.26 11.13 0 0 5 0.76 0.46 0 0 5 -0.03 0.48 0 0 -5 -1.37 0.85 0 0 5 -0.46 0.59 0 0 5 -0.01 0.57 0 0 -6 49.57 2.64 0 0 6 50.79 1.81 0 0 6 48.99 1.91 0 0 6 48.98 2.02 0 0 7 1.40 0.56 0 0 7 2.29 0.63 0 0 7 1.32 0.77 0 0 -7 1.34 0.96 0 0 -8 209.31 6.97 0 0 8 221.75 6.22 0 0 8 215.56 6.37 0 0 8 220.21 6.13 0 0 9 0.53 0.69 0 0 9 0.57 0.89 0 0 -9 0.86 1.12 0 0 9 0.22 0.65 0 0 10 224.14 6.90 0 0 -10 214.69 7.38 0 0 10 229.13 6.61 0 0 10 234.10 6.74 0 0 -11 -0.72 1.08 0 0 11 -0.12 0.92 0 0 11 1.69 0.86 0 0 -12 326.79 10.14 0 0 12 324.17 9.32 0 0 12 326.19 9.64 0 0 13 1.78 1.03 0 0 -13 0.31 1.19 0 0 14 149.07 5.41 0 0 15 2.90 1.27 0 0 16 27.44 2.52 0 0 17 0.30 1.29 0 0 18 2.23 1.54 0 0 19 0.73 1.49 0 1 0 -0.72 0.32 0 1 0 -0.46 0.43 0 -1 0 -1.47 0.26 0 -1 0 -0.45 0.33 0 -1 0 0.47 0.38 0 1 1 19.66 1.12 0 1 -1 20.19 0.95 0 1 1 19.20 1.11 0 -1 1 18.98 0.89 0 -1 -1 19.45 0.97 0 -1 -1 18.44 1.00 0 -1 -1 18.42 1.07 0 1 2 18.44 1.18 0 1 2 20.75 1.28 0 1 2 18.22 1.11 0 -1 -2 17.64 1.09 0 -1 2 18.43 1.08 0 -1 2 19.46 0.93 0 -1 -2 19.32 1.12 0 -1 2 19.33 0.89 0 -1 -2 18.42 1.03 0 1 3 38.80 1.76 0 1 3 40.65 1.90 0 1 3 41.74 1.85 0 -1 -3 41.56 1.86 0 -1 -3 38.39 1.72 0 -1 -3 46.35 1.84 0 -1 3 41.98 1.38 0 -1 3 45.92 1.79 0 -1 3 42.49 1.38 0 1 4 778.25 20.89 0 1 -4 824.86 20.63 0 1 4 805.34 20.72 0 1 4 790.65 20.29 0 -1 4 802.58 19.72 0 -1 -4 829.95 20.18 0 -1 4 825.96 19.65 0 -1 -4 806.40 20.64 0 -1 -4 793.16 20.79 0 -1 4 831.22 20.65 0 1 5 24.02 1.55 0 1 5 23.74 1.50 0 1 -5 26.49 1.58 0 1 5 23.46 1.48 0 -1 5 26.35 1.04 0 -1 5 23.77 0.96 0 -1 -5 22.60 1.42 0 -1 -5 23.21 1.44 0 -1 -5 22.96 1.34 0 1 -6 122.13 4.08 0 1 6 125.60 4.15 0 1 6 122.83 4.05 0 1 6 115.51 4.00 0 -1 -6 119.66 3.78 0 -1 6 123.67 3.33 0 -1 -6 116.45 3.85 0 -1 -6 122.70 3.90 0 -1 6 121.62 3.35 0 1 -7 26.29 1.92 0 1 7 32.19 1.85 0 1 7 30.58 1.86 0 1 7 29.74 1.81 0 -1 7 29.13 1.30 0 -1 7 28.24 1.38 0 -1 -7 30.18 1.52 0 -1 -7 30.18 1.55 0 -1 -7 32.59 1.75 0 1 8 528.83 14.07 0 1 8 553.03 14.50 0 1 -8 509.59 14.36 0 1 8 519.39 14.37 0 -1 -8 534.12 13.70 0 -1 -8 522.00 13.62 0 -1 -8 522.53 14.63 0 -1 8 526.96 13.30 0 -1 8 524.80 13.48 0 -1 -8 544.66 13.82 0 1 9 9.31 1.37 0 1 9 11.04 1.37 0 1 9 10.14 1.44 0 1 -9 11.37 1.52 0 -1 9 10.57 1.00 0 -1 9 10.21 0.77 0 -1 -9 10.15 1.74 0 -1 -9 12.02 1.36 0 -1 9 11.70 1.19 0 -1 9 10.70 0.84 0 1 -10 43.65 2.67 0 1 10 42.47 2.51 0 1 10 40.05 2.45 0 -1 10 42.33 2.03 0 -1 -10 43.15 3.01 0 -1 10 43.06 1.94 0 -1 10 38.65 2.08 0 1 -11 4.24 1.31 0 1 11 3.57 1.12 0 1 11 3.41 1.24 0 -1 -11 2.31 1.42 0 -1 11 1.79 0.78 0 -1 11 3.38 0.98 0 1 12 1.64 1.14 0 1 -12 1.59 1.16 0 1 12 0.18 0.96 0 -1 12 2.67 0.88 0 -1 12 2.62 1.02 0 -1 -12 0.35 1.33 0 1 13 4.46 1.45 0 1 -13 7.53 1.60 0 1 13 6.32 1.42 0 -1 -13 3.73 1.50 0 -1 13 5.42 1.15 0 1 14 50.05 3.18 0 -1 14 51.16 2.69 0 1 15 6.24 1.67 0 -1 15 5.22 1.32 0 1 16 64.28 3.83 0 -1 16 66.66 3.36 0 1 17 -1.61 1.30 0 -1 17 1.48 1.27 0 1 18 116.57 5.55 0 1 19 1.38 1.63 0 2 0 877.16 22.41 0 2 0 895.21 22.73 0 -2 0 886.18 22.24 0 -2 0 919.28 23.10 0 -2 0 899.96 22.25 0 -2 0 865.88 22.78 0 2 1 98.61 3.35 0 2 -1 103.30 3.40 0 2 1 106.02 3.66 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5 39.62 2.37 1 -1 5 44.81 2.02 -1 -1 -5 41.84 2.09 -1 -1 -5 46.04 2.24 1 -1 5 42.72 2.18 -1 -1 -5 40.10 2.19 1 1 6 54.74 2.73 1 1 6 56.42 2.82 -1 1 -6 58.55 3.20 1 -1 6 54.76 2.56 -1 -1 -6 61.84 3.19 1 -1 6 54.76 2.39 -1 -1 -6 57.94 2.78 -1 -1 -6 52.00 2.56 -1 -1 -6 54.09 2.44 1 1 7 -0.37 1.08 1 1 7 1.43 0.98 -1 1 -7 1.15 1.29 -1 -1 -7 0.84 0.89 1 -1 7 2.08 0.91 -1 -1 -7 2.36 0.83 -1 -1 -7 2.59 1.42 1 -1 7 1.54 0.88 -1 -1 -7 1.07 1.02 1 1 8 37.66 2.48 -1 1 -8 33.29 2.89 1 1 8 37.75 2.83 -1 -1 -8 40.98 2.59 1 -1 8 38.23 2.29 -1 -1 -8 38.24 2.17 1 -1 8 36.70 2.37 -1 -1 -8 40.24 1.99 -1 -1 -8 39.26 3.17 -1 1 -9 11.76 1.99 1 1 9 14.45 2.05 1 1 9 14.30 1.80 -1 -1 -9 13.85 2.28 1 -1 9 14.64 1.64 -1 -1 -9 14.83 1.18 1 -1 9 14.52 1.78 1 1 10 523.21 14.96 -1 1 -10 511.75 15.12 1 1 10 510.51 14.34 1 -1 10 520.89 14.51 -1 -1 -10 492.65 15.37 1 -1 10 508.54 13.99 1 1 11 7.97 1.59 -1 1 -11 7.75 1.79 1 1 11 9.77 1.86 -1 -1 -11 8.49 2.02 1 -1 11 10.53 1.71 1 -1 11 9.69 1.54 1 1 12 12.14 1.89 -1 1 -12 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307.94 9.23 2 -2 2 298.55 8.65 -2 -2 -2 303.44 9.06 -2 2 -3 54.70 2.48 -2 2 -3 54.54 2.76 2 2 3 53.34 2.96 -2 2 -3 53.67 3.18 2 2 3 53.54 3.03 -2 -2 -3 52.19 2.86 2 -2 3 56.02 2.92 -2 -2 -3 55.10 3.17 2 -2 3 59.58 3.00 -2 2 -4 4.51 0.84 -2 2 -4 3.98 1.10 -2 2 -4 4.66 1.44 2 2 4 4.41 1.39 2 2 4 2.78 1.30 2 -2 4 4.03 1.23 -2 -2 -4 2.87 1.12 -2 -2 -4 5.30 1.36 2 -2 4 5.09 1.30 -2 2 -5 31.29 2.13 -2 2 -5 30.56 2.90 -2 2 -5 28.34 1.32 2 2 5 30.85 2.63 2 2 5 29.68 2.65 -2 -2 -5 25.71 2.28 2 -2 5 29.01 2.35 -2 -2 -5 30.81 2.50 2 -2 5 29.60 2.44 -2 -2 -5 29.63 2.58 2 2 6 69.23 3.74 -2 2 -6 67.10 4.06 2 2 6 74.80 3.99 -2 -2 -6 72.09 3.63 2 -2 6 72.93 3.58 2 -2 6 73.02 3.57 -2 -2 -6 74.52 3.60 -2 -2 -6 81.34 4.35 -2 -2 -6 74.19 3.90 2 2 7 2.82 1.33 -2 2 -7 3.13 1.52 2 2 7 4.99 1.63 -2 -2 -7 2.02 1.26 -2 -2 -7 -0.01 1.15 -2 -2 -7 3.27 1.69 2 -2 7 -0.21 1.14 2 -2 7 2.25 1.22 -2 -2 -7 0.71 1.08 2 2 8 31.48 2.90 2 2 8 31.22 3.16 -2 2 -8 25.73 3.00 -2 -2 -8 32.68 2.94 2 -2 8 31.86 2.70 2 -2 8 31.39 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33.50 2.19 -2 4 11 17.05 2.63 -2 -4 11 23.24 1.93 -2 -4 11 20.99 1.89 -2 4 10 95.59 5.04 -2 -4 10 97.80 3.86 -2 -4 10 91.56 3.79 -2 4 9 28.80 3.13 -2 -4 9 29.76 2.24 2 -4 -9 34.11 3.00 -2 -4 9 27.77 2.26 -2 4 8 12.26 2.27 2 -4 -8 14.45 2.01 -2 -4 8 17.80 1.98 -2 -4 8 16.70 1.72 -2 4 7 105.30 5.27 -2 -4 7 106.79 4.41 2 -4 -7 114.39 4.93 2 -4 -7 108.37 4.86 -2 -4 7 118.73 4.43 -2 4 6 7.32 1.87 -2 4 6 9.40 2.00 2 -4 -6 8.51 1.68 2 -4 -6 8.81 1.67 -2 -4 6 9.72 1.56 -2 -4 6 7.01 1.46 -2 4 5 6.25 1.77 -2 4 5 6.72 1.84 -2 -4 5 9.41 1.57 2 -4 -5 7.92 1.57 -2 -4 5 6.70 1.45 2 -4 -5 8.08 1.62 2 -4 -5 8.65 1.68 -2 4 4 59.44 3.78 -2 4 4 56.77 3.75 -2 -4 4 53.03 2.96 -2 -4 4 54.14 3.12 2 -4 -4 49.98 3.92 2 -4 -4 51.99 3.34 2 -4 -4 52.07 3.27 2 -4 -4 55.98 3.27 -2 4 3 116.25 5.32 -2 4 3 110.92 5.21 2 -4 -3 107.23 4.74 -2 -4 3 116.24 4.68 2 -4 -3 104.97 5.19 -2 -4 3 112.79 4.59 2 -4 -3 111.73 4.73 -2 4 2 235.17 8.54 -2 4 2 235.80 8.50 2 4 -2 248.37 7.32 2 4 -2 249.68 7.87 -2 -4 2 232.73 7.88 2 -4 -2 244.77 8.76 -2 -4 2 248.62 8.02 2 -4 -2 243.82 8.01 2 -4 -2 238.61 8.11 2 4 -1 78.01 3.89 2 4 -1 75.58 3.31 -2 4 1 75.58 4.25 -2 4 1 77.56 4.01 2 -4 -1 77.10 3.77 -2 -4 1 70.30 3.79 2 -4 -1 74.69 4.21 2 -4 -1 75.86 3.82 -2 -4 1 76.97 3.78 2 4 0 3.48 1.46 -2 4 0 4.70 1.63 2 -4 0 2.80 1.34 -2 -4 0 4.76 1.39 -2 -4 0 4.39 1.38 2 -4 0 4.96 1.51 2 -4 0 6.12 1.43 2 4 1 -0.85 1.06 -2 4 -1 -0.44 1.14 2 -4 1 1.14 1.16 2 -4 1 -0.49 1.07 -2 -4 -1 -0.06 1.21 -2 -4 -1 0.74 1.14 2 -4 1 0.69 1.04 -2 -4 -1 0.86 1.27 2 4 2 95.95 4.64 2 -4 2 88.13 4.10 2 -4 2 89.80 4.45 -2 -4 -2 87.34 4.29 -2 -4 -2 80.40 4.18 -2 -4 -2 95.25 4.80 2 4 3 111.23 5.17 -2 -4 -3 91.00 4.62 2 -4 3 107.39 4.66 -2 -4 -3 102.30 4.79 2 -4 3 108.52 4.97 2 4 4 63.79 3.99 2 -4 4 60.92 3.56 2 -4 4 68.70 3.85 -2 -4 -4 59.27 3.80 2 4 5 57.34 3.90 2 -4 5 50.32 3.31 2 -4 5 52.89 3.44 -2 -4 -5 52.51 3.67 2 4 6 28.88 3.21 -2 -4 -6 34.72 3.29 2 -4 6 36.21 3.14 2 -4 6 32.69 2.95 2 4 7 21.84 3.05 -2 -4 -7 29.42 3.21 2 -4 7 22.86 2.57 2 4 8 -1.31 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