data_s15phy4 _audit_creation_method 'SHELXL-2014/7' _shelx_SHELXL_version_number '2014/7' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C24 H12' _chemical_formula_sum 'C24 H12' _chemical_formula_weight 300.34 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 21/n' _space_group_name_Hall '-P 2yn' _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+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 10.0403(4) _cell_length_b 4.67100(10) _cell_length_c 15.6056(7) _cell_angle_alpha 90 _cell_angle_beta 106.407(4) _cell_angle_gamma 90 _cell_volume 702.07(5) _cell_formula_units_Z 2 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used 2153 _cell_measurement_theta_min 6.1300 _cell_measurement_theta_max 71.7040 _exptl_crystal_description plate _exptl_crystal_colour brown _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.421 _exptl_crystal_F_000 312 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.300 _exptl_crystal_size_mid 0.100 _exptl_crystal_size_min 0.050 _exptl_absorpt_coefficient_mu 0.617 _shelx_estimated_absorpt_T_min 0.837 _shelx_estimated_absorpt_T_max 0.970 _exptl_absorpt_correction_T_min 0.75671 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_process_details ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _diffrn_ambient_temperature 150(2) _diffrn_radiation_wavelength 1.54184 _diffrn_radiation_type CuK\a _diffrn_radiation_monochromator 'mirror' _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'SuperNova, Dual, Cu at zero, EosS2' _diffrn_detector 'CCD plate' _diffrn_detector_type 'EosS2' _diffrn_detector_area_resol_mean 8.1150 _diffrn_reflns_number 5014 _diffrn_reflns_av_unetI/netI 0.0238 _diffrn_reflns_av_R_equivalents 0.0312 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -4 _diffrn_reflns_limit_k_max 5 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_theta_min 4.706 _diffrn_reflns_theta_max 72.004 _diffrn_reflns_theta_full 67.684 _diffrn_measured_fraction_theta_max 0.996 _diffrn_measured_fraction_theta_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.996 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 0.996 _diffrn_reflns_point_group_measured_fraction_full 1.000 _reflns_number_total 1377 _reflns_number_gt 1153 _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 ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) ; _computing_cell_refinement ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) ; _computing_data_reduction ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) ; _computing_structure_solution ; SIR97- Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C. , Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R. (1999) J. Appl. Cryst. 32, 115-119 ; _computing_structure_refinement ;SHELXL-2014/7 (Sheldrick, 2014) Sheldrick GM (2008) Acta Crystallogr A64:112--122 and C. B. H\"ubschle, G. M. Sheldrick and B. Dittrich ShelXle: a Qt graphical user interface for SHELXL J. Appl. Cryst., 44, (2011) 1281-1284. ; _computing_molecular_graphics 'ORTEP3 for Windows - Farrugia, L. J. J. Appl. Crystallogr. 1997, 30, 565' _computing_publication_material ; 'SHELXL-2014 (Sheldrick, 2014) ; _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^)+(0.0885P)^2^+0.0472P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 1377 _refine_ls_number_parameters 109 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0531 _refine_ls_R_factor_gt 0.0474 _refine_ls_wR_factor_ref 0.1405 _refine_ls_wR_factor_gt 0.1309 _refine_ls_goodness_of_fit_ref 1.044 _refine_ls_restrained_S_all 1.044 _refine_ls_shift/su_max 0.001 _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 C1 C 0.25897(13) 0.1617(3) 0.63742(9) 0.0355(3) Uani 1 1 d . . . . . H1 H 0.2223 0.2426 0.6818 0.043 Uiso 1 1 calc R U . . . C2 C 0.39222(12) 0.2482(2) 0.63259(8) 0.0298(3) Uani 1 1 d . . . . . C3 C 0.47334(14) 0.4550(3) 0.69148(8) 0.0344(3) Uani 1 1 d . . . . . H3 H 0.4382 0.5393 0.7361 0.041 Uiso 1 1 calc R U . . . C4 C 0.60092(13) 0.5343(3) 0.68496(8) 0.0334(3) Uani 1 1 d . . . . . H4 H 0.6526 0.6743 0.7249 0.040 Uiso 1 1 calc R U . . . C5 C 0.65807(12) 0.4125(2) 0.61993(7) 0.0289(3) Uani 1 1 d . . . . . C6 C 0.79190(13) 0.4872(3) 0.61306(8) 0.0336(3) Uani 1 1 d . . . . . H6 H 0.8456 0.6249 0.6530 0.040 Uiso 1 1 calc R U . . . C7 C 0.84461(12) 0.3651(3) 0.55041(8) 0.0349(3) Uani 1 1 d . . . . . H7 H 0.9350 0.4172 0.5481 0.042 Uiso 1 1 calc R U . . . C8 C 0.76709(12) 0.1608(3) 0.48820(8) 0.0303(3) Uani 1 1 d . . . . . C9 C 0.81757(13) 0.0358(3) 0.42062(9) 0.0360(4) Uani 1 1 d . . . . . H9 H 0.9062 0.0903 0.4156 0.043 Uiso 1 1 calc R U . . . C10 C 0.63405(12) 0.0809(2) 0.49399(7) 0.0257(3) Uani 1 1 d . . . . . C11 C 0.57935(12) 0.2062(2) 0.56026(7) 0.0254(3) Uani 1 1 d . . . . . C12 C 0.44573(12) 0.1251(2) 0.56652(7) 0.0257(3) 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 C1 0.0362(7) 0.0367(7) 0.0385(7) 0.0047(5) 0.0185(5) 0.0048(5) C2 0.0323(7) 0.0269(6) 0.0303(6) 0.0050(4) 0.0093(5) 0.0040(4) C3 0.0410(7) 0.0327(7) 0.0295(6) 0.0003(5) 0.0098(5) 0.0057(5) C4 0.0382(7) 0.0285(6) 0.0291(6) -0.0005(4) 0.0020(5) -0.0003(5) C5 0.0290(7) 0.0248(6) 0.0289(6) 0.0049(4) 0.0018(5) 0.0002(4) C6 0.0312(7) 0.0294(6) 0.0347(6) 0.0040(4) 0.0003(5) -0.0063(5) C7 0.0255(6) 0.0336(7) 0.0432(7) 0.0076(5) 0.0058(5) -0.0055(5) C8 0.0267(6) 0.0289(6) 0.0349(7) 0.0073(5) 0.0081(5) -0.0004(5) C9 0.0280(6) 0.0371(7) 0.0464(7) 0.0074(5) 0.0163(5) -0.0002(5) C10 0.0237(6) 0.0228(6) 0.0295(6) 0.0064(4) 0.0055(5) 0.0014(4) C11 0.0251(6) 0.0223(6) 0.0266(6) 0.0063(4) 0.0040(5) 0.0004(4) C12 0.0263(6) 0.0238(6) 0.0264(6) 0.0057(4) 0.0064(5) 0.0029(4) _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 C1 C9 1.3669(19) 3_656 ? C1 C2 1.4197(17) . ? C1 H1 0.9500 . ? C2 C12 1.4124(16) . ? C2 C3 1.4206(17) . ? C3 C4 1.3647(19) . ? C3 H3 0.9500 . ? C4 C5 1.4184(17) . ? C4 H4 0.9500 . ? C5 C11 1.4158(16) . ? C5 C6 1.4212(17) . ? C6 C7 1.3614(18) . ? C6 H6 0.9500 . ? C7 C8 1.4256(17) . ? C7 H7 0.9500 . ? C8 C10 1.4142(16) . ? C8 C9 1.4186(17) . ? C9 C1 1.3669(19) 3_656 ? C9 H9 0.9500 . ? C10 C12 1.4255(17) 3_656 ? C10 C11 1.4264(17) . ? C11 C12 1.4236(17) . ? C12 C10 1.4255(17) 3_656 ? 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 C9 C1 C2 121.24(12) 3_656 . ? C9 C1 H1 119.4 3_656 . ? C2 C1 H1 119.4 . . ? C12 C2 C1 118.78(11) . . ? C12 C2 C3 118.82(11) . . ? C1 C2 C3 122.40(12) . . ? C4 C3 C2 121.01(12) . . ? C4 C3 H3 119.5 . . ? C2 C3 H3 119.5 . . ? C3 C4 C5 121.49(12) . . ? C3 C4 H4 119.3 . . ? C5 C4 H4 119.3 . . ? C11 C5 C4 118.69(11) . . ? C11 C5 C6 118.79(11) . . ? C4 C5 C6 122.52(11) . . ? C7 C6 C5 121.26(11) . . ? C7 C6 H6 119.4 . . ? C5 C6 H6 119.4 . . ? C6 C7 C8 121.41(11) . . ? C6 C7 H7 119.3 . . ? C8 C7 H7 119.3 . . ? C10 C8 C9 118.75(11) . . ? C10 C8 C7 118.50(11) . . ? C9 C8 C7 122.75(11) . . ? C1 C9 C8 121.23(12) 3_656 . ? C1 C9 H9 119.4 3_656 . ? C8 C9 H9 119.4 . . ? C8 C10 C12 120.01(11) . 3_656 ? C8 C10 C11 120.13(11) . . ? C12 C10 C11 119.86(11) 3_656 . ? C5 C11 C12 119.84(11) . . ? C5 C11 C10 119.89(11) . . ? C12 C11 C10 120.26(11) . . ? C2 C12 C11 120.14(11) . . ? C2 C12 C10 119.99(11) . 3_656 ? C11 C12 C10 119.87(11) . 3_656 ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C9 C1 C2 C12 -0.30(19) 3_656 . . . ? C9 C1 C2 C3 179.36(11) 3_656 . . . ? C12 C2 C3 C4 -0.13(18) . . . . ? C1 C2 C3 C4 -179.79(11) . . . . ? C2 C3 C4 C5 -0.53(19) . . . . ? C3 C4 C5 C11 0.64(18) . . . . ? C3 C4 C5 C6 -178.64(10) . . . . ? C11 C5 C6 C7 0.21(18) . . . . ? C4 C5 C6 C7 179.49(10) . . . . ? C5 C6 C7 C8 1.00(19) . . . . ? C6 C7 C8 C10 -1.46(18) . . . . ? C6 C7 C8 C9 178.23(11) . . . . ? C10 C8 C9 C1 -0.96(19) . . . 3_656 ? C7 C8 C9 C1 179.36(11) . . . 3_656 ? C9 C8 C10 C12 0.98(18) . . . 3_656 ? C7 C8 C10 C12 -179.33(10) . . . 3_656 ? C9 C8 C10 C11 -178.97(9) . . . . ? C7 C8 C10 C11 0.72(17) . . . . ? C4 C5 C11 C12 -0.08(17) . . . . ? C6 C5 C11 C12 179.22(9) . . . . ? C4 C5 C11 C10 179.78(9) . . . . ? C6 C5 C11 C10 -0.92(17) . . . . ? C8 C10 C11 C5 0.44(17) . . . . ? C12 C10 C11 C5 -179.51(9) 3_656 . . . ? C8 C10 C11 C12 -179.70(9) . . . . ? C12 C10 C11 C12 0.35(19) 3_656 . . . ? C1 C2 C12 C11 -179.66(9) . . . . ? C3 C2 C12 C11 0.67(17) . . . . ? C1 C2 C12 C10 0.27(17) . . . 3_656 ? C3 C2 C12 C10 -179.40(10) . . . 3_656 ? C5 C11 C12 C2 -0.56(17) . . . . ? C10 C11 C12 C2 179.58(9) . . . . ? C5 C11 C12 C10 179.51(9) . . . 3_656 ? C10 C11 C12 C10 -0.35(19) . . . 3_656 ? _refine_diff_density_max 0.180 _refine_diff_density_min -0.240 _refine_diff_density_rms 0.049 _shelx_res_file ; s15phy4.res created by SHELXL-2014/7 TITL s15phy4 in P2(1)/n CELL 1.54184 10.0403 4.6710 15.6056 90.000 106.407 90.000 ZERR 2.00 0.0004 0.0001 0.0007 0.000 0.004 0.000 LATT 1 SYMM 1/2 - X, 1/2 + Y, 1/2 - Z SFAC C H UNIT 48 24 ACTA LIST 4 TEMP -123 SIZE 0.3 0.1 0.05 PLAN -10 BOND $H CONF L.S. 4 WGHT 0.088500 0.047200 FVAR 8.91605 C1 1 0.258967 0.161701 0.637420 11.00000 0.03619 0.03669 = 0.03846 0.00470 0.01853 0.00479 AFIX 43 H1 2 0.222311 0.242602 0.681824 11.00000 -1.20000 AFIX 0 C2 1 0.392217 0.248165 0.632592 11.00000 0.03229 0.02693 = 0.03030 0.00498 0.00927 0.00396 C3 1 0.473336 0.454985 0.691476 11.00000 0.04096 0.03270 = 0.02947 0.00033 0.00977 0.00571 AFIX 43 H3 2 0.438226 0.539350 0.736072 11.00000 -1.20000 AFIX 0 C4 1 0.600923 0.534316 0.684956 11.00000 0.03818 0.02847 = 0.02907 -0.00045 0.00204 -0.00034 AFIX 43 H4 2 0.652633 0.674317 0.724871 11.00000 -1.20000 AFIX 0 C5 1 0.658074 0.412461 0.619928 11.00000 0.02902 0.02480 = 0.02893 0.00493 0.00178 0.00017 C6 1 0.791896 0.487168 0.613060 11.00000 0.03118 0.02943 = 0.03473 0.00402 0.00030 -0.00633 AFIX 43 H6 2 0.845587 0.624908 0.652951 11.00000 -1.20000 AFIX 0 C7 1 0.844615 0.365126 0.550411 11.00000 0.02548 0.03357 = 0.04318 0.00763 0.00578 -0.00549 AFIX 43 H7 2 0.934995 0.417232 0.548099 11.00000 -1.20000 AFIX 0 C8 1 0.767089 0.160805 0.488204 11.00000 0.02668 0.02893 = 0.03490 0.00730 0.00815 -0.00036 C9 1 0.817573 0.035754 0.420619 11.00000 0.02799 0.03713 = 0.04637 0.00738 0.01634 -0.00025 AFIX 43 H9 2 0.906222 0.090258 0.415606 11.00000 -1.20000 AFIX 0 C10 1 0.634046 0.080864 0.493988 11.00000 0.02368 0.02278 = 0.02951 0.00644 0.00547 0.00139 C11 1 0.579347 0.206182 0.560256 11.00000 0.02515 0.02229 = 0.02656 0.00629 0.00396 0.00041 C12 1 0.445731 0.125142 0.566524 11.00000 0.02627 0.02377 = 0.02640 0.00566 0.00637 0.00293 HKLF 4 REM s15phy4 in P2(1)/n REM R1 = 0.0474 for 1153 Fo > 4sig(Fo) and 0.0531 for all 1377 data REM 109 parameters refined using 0 restraints END WGHT 0.0885 0.0472 REM Highest difference peak 0.180, deepest hole -0.240, 1-sigma level 0.049 Q1 1 0.5348 0.1196 0.5794 11.00000 0.05 0.18 Q2 1 0.7146 0.0872 0.5071 11.00000 0.05 0.18 Q3 1 0.6074 0.1863 0.5264 11.00000 0.05 0.17 Q4 1 0.6372 0.2579 0.6026 11.00000 0.05 0.17 Q5 1 0.4016 0.2570 0.5874 11.00000 0.05 0.16 Q6 1 0.5003 0.2212 0.5450 11.00000 0.05 0.15 Q7 1 0.5676 0.4224 0.7137 11.00000 0.05 0.15 Q8 1 0.8200 0.6420 0.6876 11.00000 0.05 0.15 Q9 1 0.4122 0.1957 0.6014 11.00000 0.05 0.15 Q10 1 0.7006 0.1673 0.4759 11.00000 0.05 0.15 ; _shelx_res_checksum 96138 _shelx_hkl_file ; 0 0 -2 293875. 924.240 2 0 0 -3 16.8180 14.1140 37 0 0 -3-5.97216 17.0116 2 0 0 -3-1.80314 11.0531 1 0 0 -3 21.1867 5.00484 32 0 0 -4 85774.9 778.235 2 0 0 -4 85777.8 801.750 1 0 0 -5 13.0264 15.5791 1 0 0 -5-1.75572 16.4951 2 0 0 -5 46.7226 22.3357 37 0 0 -6 2843.34 188.736 2 0 0 -6 3398.55 205.223 37 0 0 -6 3187.61 199.327 1 0 0 -7 31.5423 37.7894 37 0 0 -7 31.0804 38.8598 1 0 0 -8 434.772 93.1013 37 0 0 -8 471.225 93.6845 1 0 0 -9-15.1239 35.2079 1 0 0 -9-3.91618 15.6578 37 0 0 -10 2303.19 239.875 1 0 0 -10 2249.48 239.723 37 0 0 -11 10.3180 29.4334 37 0 0 -11-1.50961 10.9626 1 0 0 -12 2704.60 319.640 13 0 0 12 3374.57 469.139 19 0 0 -13 19.4568 57.0627 13 0 0 13-0.27534 93.4276 19 0 0 14 6543.51 662.158 19 0 0 -14 6507.39 500.686 13 0 0 -15-32.9213 40.4398 13 0 0 15 35.5783 102.122 19 0 0 -16 51733.2 1244.02 13 0 0 -17-6.53019 17.1171 14 0 0 -17 41.6734 39.0324 13 0 0 -18 330.480 73.0562 14 0 0 -18 300.698 65.1103 13 0 1 0-8.54139 8.08590 33 0 1 -1 14339.5 241.102 33 0 1 -1 13714.5 318.910 34 0 1 1 13843.1 292.053 33 0 1 -1 13667.9 287.948 37 0 1 2 357065. 1800.09 33 0 1 -2 361358. 1484.27 36 0 1 -2 361847. 1719.28 34 0 1 3 352350. 2088.22 33 0 1 -3 352705. 1595.29 36 0 -1 -3 355169. 1886.70 1 0 1 -4 43383.0 619.012 36 0 -1 -4 43271.7 716.705 1 0 1 -4 42641.4 672.845 37 0 1 -4 44881.1 617.450 32 0 1 -5 2613.65 181.883 37 0 1 -5 3115.25 168.382 32 0 1 -5 2955.19 177.937 36 0 -1 -5 2917.15 202.093 1 0 -1 -6 7545.38 348.092 1 0 -1 -6 6708.27 300.521 37 0 1 -6 6957.61 301.998 36 0 -1 -7 1604.65 160.203 37 0 1 -7 1778.71 167.209 36 0 1 -7 1704.84 177.414 37 0 -1 -7 1713.17 179.418 1 0 1 -8 2395.73 227.854 37 0 -1 -8 2096.40 194.825 37 0 -1 -8 2338.02 229.353 1 0 1 -8 2371.88 209.715 36 0 -1 -8 2301.60 199.249 2 0 1 -9 147.980 65.8470 37 0 -1 -9 128.051 54.0766 1 0 1 -10 104.988 55.1440 36 0 1 -10 49.0206 19.5877 37 0 -1 -10 90.3952 58.1497 1 0 -1 -11 368.524 120.170 1 0 1 -11 192.237 83.1604 37 0 1 -11 138.039 60.7130 36 0 1 12 19087.8 1002.16 28 0 -1 12 20421.2 1133.04 19 0 1 -12 23588.2 966.332 9 0 1 12 23514.8 1255.96 19 0 -1 -12 24201.5 960.564 17 0 1 -13 62062.2 1579.95 9 0 -1 13 58948.2 1946.03 19 0 -1 -14 26181.1 1018.16 13 0 -1 14 26189.8 1281.88 19 0 1 14 28531.9 1387.64 19 0 1 -14 29052.6 1052.46 9 0 1 -15 3424.90 321.702 14 0 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32.1672 34 2 3 1 281.661 110.806 34 -2 3 -1 214.748 79.5569 34 -2 3 -1 191.692 66.9040 35 2 3 2 8.96444 30.0685 34 -2 3 -2 140.923 54.1114 35 -2 3 -3 277.970 87.1982 35 2 3 3 354.957 115.262 34 2 3 4 1777.18 269.113 34 -2 3 -4 1765.14 226.650 35 2 3 5 550.557 154.177 34 2 3 5 559.261 156.079 25 -2 3 -5 457.098 115.758 5 -2 3 -5 561.130 137.566 9 2 3 5 368.402 142.922 30 -2 3 -6 27464.8 994.689 9 2 3 6 24693.4 1177.56 28 -2 3 -6 26726.4 945.975 5 2 3 6 27601.6 1172.32 30 2 3 6 26727.7 1146.27 25 2 3 7 75200.9 1950.58 25 2 3 7 75217.0 2103.30 28 -2 3 -7 78751.8 1712.59 9 -2 3 -7 74284.4 1607.50 5 -2 3 -8 47369.3 1278.74 5 -2 3 -8 43557.2 1269.66 4 2 3 8 47025.0 1689.17 28 2 3 8 47572.4 1563.40 25 -2 3 -8 49307.3 1359.05 9 -2 3 -9 17841.7 819.718 9 2 3 9 16974.9 929.562 25 -2 3 -9 16974.9 768.165 5 -2 3 -9 15907.6 764.669 4 2 3 9 15708.8 975.196 28 2 3 10 60.7123 55.3892 25 -2 3 -10 5.45935 21.9066 4 -2 3 -10 4.41585 36.8930 5 -2 3 -10-3.58134 27.9454 9 -2 3 -11 652.560 142.591 5 -2 3 -11 795.864 163.036 9 -2 3 -11 747.275 156.203 4 2 3 11 954.775 206.241 25 2 3 11 706.906 182.636 30 2 3 12 83.4872 65.6376 25 -2 3 -12 231.400 79.9608 4 -2 3 -12 253.158 78.9993 5 -2 3 -12 184.383 74.1680 9 2 3 12 135.768 69.3150 30 -2 3 -13-0.25557 18.6464 4 -2 3 -13 75.8678 47.7476 9 -2 3 -13 48.6419 28.5255 5 2 3 13 67.4811 58.0535 30 2 3 14 1362.24 181.149 30 -2 3 -14 1056.85 122.867 5 2 4 -13 234.661 61.7727 5 -2 4 13 283.853 80.4530 25 -2 4 13 441.123 108.342 28 2 4 -12 2877.55 238.609 5 2 -4 -12 2704.68 244.058 17 -2 4 12 2421.31 257.630 25 -2 4 11 7765.84 515.459 25 2 4 -11 7951.08 432.856 7 2 4 -11 7248.34 381.946 6 2 -4 -11 8111.34 476.421 17 -2 4 11 8607.35 593.340 28 -2 4 10 13096.7 717.244 25 2 4 -10 13330.1 610.277 7 2 4 -10 13252.5 576.726 6 -2 4 10 14123.1 806.809 28 2 -4 -10 12503.4 640.343 17 -2 4 9 297.594 115.502 23 -2 4 9 186.297 85.0006 25 2 4 -9 332.332 105.719 7 2 4 -9 385.190 111.500 6 -2 4 9 186.692 103.026 28 -2 4 8 994.735 197.926 25 2 4 -8 953.483 174.571 7 -2 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547.227 25 -2 4 -10 9219.16 445.186 5 2 4 10 9845.53 582.347 30 2 4 11 4558.85 354.160 30 2 4 11 3799.22 313.319 25 -2 4 -11 3817.71 257.473 5 2 4 12 272.009 75.1128 30 -2 4 -12 122.980 36.7169 5 2 5 -9 192.802 56.8138 24 -2 5 9 162.573 60.1081 25 -2 5 8 73.1365 24.0394 25 2 5 -8 21.4571 37.1773 24 2 5 -8 84.1835 43.0428 6 -2 5 7 726.639 121.515 23 2 5 -7 769.414 123.154 6 -2 5 7 815.500 149.436 25 2 5 -7 937.113 150.757 24 2 5 -6 50.0253 35.7099 24 -2 5 6 64.5037 24.2519 23 2 5 -6 30.0400 34.6166 6 -2 5 6-5.08796 46.2695 25 -2 5 5 115.200 60.0883 23 -2 5 5 106.219 48.4988 25 2 5 -5 81.1948 57.4050 24 2 5 -5 91.8544 47.5284 6 -2 5 4 7824.28 513.717 25 -2 5 4 8307.03 475.076 23 2 5 -4 8314.48 447.955 6 2 5 -4 9277.00 530.550 24 -2 5 3 5889.41 449.449 25 -2 5 3 6324.05 420.906 23 2 5 -3 6941.48 470.908 24 2 5 -3 6836.66 408.761 6 -2 5 2 1600.72 233.695 25 -2 5 2 1924.04 232.966 23 2 5 -2 1726.69 206.752 6 2 5 -2 1406.79 237.136 11 2 5 -2 2079.27 258.917 24 -2 5 1 128.803 57.9250 24 2 5 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2 -8 886.019 193.807 4 -4 2 -8 763.096 175.367 9 -4 2 -9 8394.73 583.851 4 -4 2 -9 7866.87 523.240 5 -4 2 -9 8364.34 568.369 9 4 2 9 7427.89 612.186 25 -4 2 -10 8753.87 569.721 9 4 2 10 8007.67 618.666 25 -4 2 -10 8576.71 583.228 4 -4 2 -10 7499.80 498.015 5 4 2 11-9.30143 42.2763 25 -4 -2 -11 17.9500 38.0057 13 -4 2 -11-8.86002 23.3400 4 -4 2 -11 45.9116 40.3394 9 -4 2 -11-10.4390 27.5350 5 4 2 11 15.5448 41.4331 30 4 2 12 12217.9 642.928 25 -4 2 -12 13501.5 644.784 4 -4 -2 -12 11981.4 594.294 13 -4 2 -13 6852.82 412.140 4 -4 -2 -13 6929.25 430.435 18 -4 2 -14 194.048 61.7392 4 -4 -2 -14 242.583 69.6754 18 4 -3 -16 9237.37 392.447 13 4 3 -16 9874.43 376.672 9 4 3 -15 233.253 66.6279 7 4 3 -15 207.416 71.1434 31 4 -3 -15 215.804 73.8636 17 -4 3 15 123.513 34.4435 28 4 3 -15 152.208 57.7888 9 4 3 -14 39.5742 21.5093 7 4 3 -14 141.894 59.8490 31 4 -3 -14 164.981 65.5601 17 -4 3 14 187.331 100.750 28 4 3 -14 262.761 78.6326 9 4 3 -13 60.4739 27.7634 7 4 3 -13 38.0527 44.2606 31 4 -3 -13 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188.481 21 7 3 0 412.190 129.749 11 -7 3 0 530.376 139.850 18 7 3 0 579.327 174.780 10 7 -3 1 1070.51 271.313 22 7 3 1 1198.41 302.280 21 7 3 1 886.832 203.159 11 -7 3 -1 1097.50 203.999 18 7 3 1 990.932 235.093 10 7 3 2 300.052 125.802 25 7 -3 2 413.420 181.296 22 7 3 2 147.455 99.7523 21 7 3 2 141.142 94.9757 11 -7 3 -2 198.524 76.3539 18 7 3 2 280.260 107.434 10 -7 3 -2 257.671 105.412 4 7 3 3 34.9364 56.4437 25 -7 3 -3 57.0044 56.1835 4 7 -3 3 158.934 126.948 22 7 3 3-15.5972 99.6887 21 7 3 3 49.5766 55.6611 11 -7 3 -3-1.33519 43.5787 18 7 3 4 360.317 123.346 25 -7 3 -4 188.192 79.9862 4 7 -3 4 111.547 76.9964 22 7 3 5 5319.89 450.655 25 7 -3 5 4388.44 486.343 22 -7 3 -5 5174.45 397.525 4 7 3 6 10116.4 583.400 25 7 -3 6 8454.05 635.060 22 -7 3 -6 9644.97 512.073 4 7 3 7 4526.88 356.407 25 7 -3 7 3529.32 373.201 22 -7 3 -7 3562.75 285.308 4 7 -3 8 1398.25 204.881 22 7 3 8 1774.68 241.868 21 -7 3 -8 1912.08 186.869 4 7 4 -11 1900.84 163.173 6 7 -4 -11 1867.53 174.779 17 -7 4 11 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1044.72 20 -8 0 8 12182.9 710.932 16 -8 0 7 32.5054 59.7971 16 8 0 -7 4.75246 81.6546 20 -8 0 6 1565.43 249.765 16 8 0 -6 1459.08 299.746 22 8 0 -6 2086.15 405.317 29 8 0 -5 36.3972 113.102 22 8 0 -5-41.2218 95.4212 29 8 0 -4 648.902 225.554 29 -8 0 3-1.30535 32.0410 18 8 0 -3 21.6535 101.481 29 8 0 -2 326.134 127.099 22 -8 0 2 684.885 156.415 18 8 0 -2 672.684 216.192 29 8 0 -1 9.21614 78.5514 22 -8 0 1 0.30278 34.4244 18 8 0 -1 49.1203 91.9299 29 8 0 0 77.2180 44.2392 22 -8 0 0 193.271 82.2238 18 8 0 0 171.605 98.7034 29 8 0 1 6.69188 58.7524 22 -8 0 -1 36.0057 62.9738 18 8 0 1-97.8014 140.784 29 8 0 2 1050.55 266.146 22 -8 0 -2 1346.73 234.445 18 8 0 2 1071.21 271.725 29 8 0 3-57.2553 73.7019 22 -8 0 -3 84.4402 69.6095 18 8 0 3-1.38724 86.0705 29 8 0 4 4588.39 555.938 22 -8 0 -4 4976.76 441.606 18 8 0 5-21.1931 93.6142 22 -8 0 -5 64.0389 69.5865 18 8 0 6 149094. 3027.25 22 -8 0 -6 156740. 2397.06 18 8 0 7 116.209 85.1172 22 -8 0 -7 64.3697 81.2244 18 8 0 8 24435.9 1073.34 22 -8 0 -8 27383.9 897.053 18 8 0 8 25506.2 1225.03 29 8 0 9 34.5039 42.6061 22 -8 0 -9-3.59808 19.0632 18 8 0 9-32.1201 67.9351 29 -8 0 -10 3107.09 243.073 18 8 -1 -17 849.752 116.651 15 -8 1 17 1015.06 160.117 19 8 1 -17 597.884 96.9064 31 8 -1 -16 88.4653 38.6643 15 -8 -1 16 22.9108 33.6635 19 -8 1 16 129.727 72.8777 19 8 1 -16 112.741 50.7984 31 8 -1 -15 484.118 117.545 15 8 1 -15 508.583 138.700 21 -8 -1 15 471.519 139.291 19 -8 1 15 679.831 164.066 19 8 -1 -14 1439.85 228.857 15 8 1 -14 1427.24 252.326 12 8 1 -14 1329.93 240.683 21 8 -1 -14 1315.64 251.770 12 -8 1 14 1381.52 214.362 16 -8 1 13 282.508 105.034 16 8 1 -13 413.957 143.983 21 8 1 -13 63.0072 51.7658 12 8 -1 -13 393.235 153.592 12 -8 1 12 459.126 137.056 16 8 1 -12 490.075 166.943 21 8 1 -12 167.521 102.023 12 8 -1 -12 394.477 156.639 12 8 1 -11 4039.58 493.330 21 8 1 -11 3521.64 448.918 12 8 -1 -11 3854.08 485.132 12 -8 1 11 3699.88 405.450 16 -8 1 10 38.5055 61.3318 16 8 1 -10 100.203 82.6476 21 8 1 -10 4.64811 86.7924 12 8 -1 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6539.37 547.726 16 -8 2 7 5527.71 460.310 26 8 2 -7 6714.15 681.702 21 8 2 -7 6235.97 661.820 20 -8 2 7 6058.50 484.392 18 -8 2 7 6396.74 543.104 16 -8 2 6 692.686 155.859 26 -8 2 6 670.600 177.017 16 8 -2 -6 346.948 154.879 22 8 2 -6 744.712 238.532 21 8 2 -6 523.772 199.305 20 -8 2 6 470.627 135.128 18 -8 2 5 29228.5 1059.61 26 8 -2 -5 31529.8 1499.73 22 8 2 -5 29551.4 1476.37 21 8 2 -5 28066.4 1426.45 20 -8 2 5 29951.4 1092.70 18 8 2 -5 31474.7 1593.81 29 -8 2 5 31542.3 1196.97 16 -8 2 4 40457.3 1348.46 16 -8 2 4 40036.5 1246.90 26 8 -2 -4 38628.5 1663.00 22 8 2 -4 38159.3 1701.13 21 -8 2 4 37729.9 1227.23 18 8 2 -4 41026.8 1826.79 29 -8 2 3 7055.82 565.426 16 8 -2 -3 7077.99 713.512 22 8 2 -3 6684.56 723.780 21 -8 2 3 6580.92 514.753 18 8 2 -3 7246.02 773.137 29 8 -2 -2 24.7288 135.796 22 8 2 -2 2.85162 134.784 21 -8 2 2 13.9531 37.3196 18 8 2 -2-75.9595 50.7414 29 8 -2 -1 209.146 103.909 22 8 2 -1-29.9720 130.990 21 -8 2 1 203.474 80.3706 18 8 2 -1 327.463 197.150 29 8 -2 0 2745.16 447.530 22 8 2 0 1841.83 381.800 21 -8 2 0 2093.68 291.541 18 8 2 0 1916.69 309.619 10 8 2 0 2113.76 438.291 29 8 2 1 1864.04 289.913 25 8 -2 1 1863.60 367.360 22 -8 2 -1 1654.98 255.855 18 8 2 1 1915.14 407.499 29 -8 2 -1 1649.52 261.093 4 8 2 2 207.408 94.3823 25 -8 2 -2 158.029 87.7950 4 8 -2 2 11.9862 65.1950 22 -8 2 -2 198.707 101.160 18 8 2 2 214.307 126.690 29 -8 2 -3 1625.36 250.011 4 8 2 3 2003.12 309.902 25 8 -2 3 1791.55 352.021 22 -8 2 -3 1594.09 245.803 18 8 2 3 1729.84 393.617 29 -8 2 -4 1377.28 227.878 4 8 2 4 1887.15 293.092 25 8 -2 4 1770.14 350.842 22 -8 2 -4 1667.99 239.808 18 8 2 4 1218.12 334.283 29 -8 2 -5 45.2980 41.7147 4 8 -2 5 62.9029 90.1498 22 -8 2 -5 27.0736 44.9182 18 8 2 5 7.37532 61.9904 29 -8 2 -6 2244.10 259.256 4 8 -2 6 2750.80 384.683 22 -8 2 -6 2178.65 242.410 18 8 2 6 2924.47 452.425 29 -8 2 -7 228.462 68.9018 4 8 -2 7 193.025 94.4839 22 -8 2 -7 264.667 75.0038 18 8 2 7 213.503 127.336 29 -8 2 -8 445.036 96.3627 4 8 -2 8 602.470 153.048 22 -8 2 -8 361.940 75.8657 18 8 2 8 649.330 167.218 29 8 -2 9 141.120 56.2155 22 8 -3 -13 68.8248 36.6806 15 8 3 -13 30.7208 18.2790 7 8 3 -13 31.4343 33.6859 21 8 -3 -13 29.4547 25.1783 17 -8 3 13 78.2577 41.0528 28 -8 3 12 890.632 152.695 16 8 3 -12 592.760 104.606 7 8 3 -12 772.909 145.418 21 8 -3 -12 690.195 116.665 17 8 3 -11 940.031 144.513 7 8 3 -11 1284.28 214.439 21 -8 3 11 1491.50 211.988 16 -8 3 10 4180.62 345.640 26 8 3 -10 4787.63 331.904 7 -8 3 10 4808.09 403.461 16 -8 3 9 8144.77 505.066 26 8 3 -9 9924.17 689.463 21 -8 3 9 9162.46 575.864 16 -8 3 8 4027.09 365.096 26 8 3 -8 4462.09 488.050 21 -8 3 8 4077.42 395.338 16 -8 3 7-40.3494 57.8323 26 -8 3 7-26.2536 47.5024 16 8 3 -7 61.6019 86.5536 21 -8 3 6-13.0258 60.5121 26 -8 3 6 16.5613 51.2390 16 8 3 -6 157.841 103.374 21 8 3 -6 80.4580 93.3233 11 -8 3 5-7.46774 28.1787 26 -8 3 5 132.630 64.1949 16 8 3 -5 33.9065 55.8805 21 8 3 -5 184.005 122.138 11 -8 3 5 13.7083 44.1630 18 -8 3 4 40.7993 23.5995 26 -8 3 4 56.6029 44.9751 16 8 -3 -4 58.6322 123.136 22 8 3 -4-54.9442 61.5945 21 8 3 -4 76.3142 84.9254 11 -8 3 4-7.01880 40.9105 18 -8 3 4-180.883 73.0237 27 -8 3 3 57.0379 54.4146 26 -8 3 3 59.9717 68.4009 16 8 -3 -3 44.9562 90.0857 22 8 3 -3-4.94356 99.9133 21 8 3 -3 158.742 114.257 11 8 3 -3 1.98244 50.6932 10 -8 3 3 8.79950 43.9264 18 -8 3 3-21.9015 18.2739 27 -8 3 2 2254.13 289.975 26 8 -3 -2 2025.43 361.121 22 8 3 -2 2328.80 402.681 21 8 3 -2 1961.64 311.721 11 -8 3 2 1792.11 252.476 18 8 3 -2 1812.82 299.008 10 -8 3 2 1572.46 214.981 27 -8 3 2 1668.15 251.645 16 -8 3 1 99.8346 53.2801 27 8 -3 -1 2.33437 86.9996 22 8 3 -1-8.04818 64.6819 21 8 3 -1-13.2373 66.7883 10 -8 3 1-26.3521 39.3191 18 -8 3 0 142.028 69.3700 27 8 -3 0 376.860 152.922 22 8 3 0 369.088 165.884 21 8 3 0 176.098 113.625 10 -8 3 0 362.031 109.286 18 8 -3 1 1024.30 247.888 22 8 3 1 966.565 254.277 21 8 3 1 813.510 198.650 10 -8 3 -1 871.228 164.521 18 8 -3 2 144.841 89.2065 22 8 3 2 12.6353 47.6199 21 -8 3 -2 164.180 74.5226 18 8 3 2 100.736 79.2806 10 8 -3 3 2016.23 324.424 22 8 3 3 1664.22 311.312 21 -8 3 -3 1736.06 206.294 18 8 3 3 1740.85 271.388 10 8 -3 4 0.75879 56.1890 22 8 3 4-91.8732 87.3927 21 8 3 4-63.6128 43.7491 10 8 -3 5 2481.70 311.320 22 8 3 5 2535.48 330.076 21 8 3 5 2311.90 274.229 10 8 -3 6 346.587 99.2799 22 8 3 6 331.203 116.624 21 8 3 6 404.907 102.940 10 -8 4 9 62.1388 32.3694 26 8 4 -9 69.0426 27.7734 6 -8 4 8 558.174 107.570 26 8 4 -8 517.598 87.4850 6 -8 4 7 1865.77 198.914 26 -8 4 7 1295.30 143.237 23 8 4 -7 1804.67 169.449 6 -8 4 6 188.407 65.2232 26 -8 4 6 46.3412 28.9099 23 8 4 -6 140.116 51.7231 6 -8 4 5 569.615 108.973 26 -8 4 5 536.206 102.424 23 8 4 -5 673.696 153.462 11 -8 4 4 2030.83 218.118 26 8 4 -4 2143.74 266.064 11 -8 4 3 207.026 65.8441 26 8 4 -3 414.976 128.542 11 -8 4 2 9.26560 23.4481 26 8 4 -2 35.7068 51.3882 11 -8 4 2-31.8509 26.0447 27 -8 4 1 1072.14 151.345 26 8 4 -1 757.879 145.828 11 -8 4 1 914.720 127.592 27 -8 4 0 141.485 65.2553 26 8 4 0 192.472 75.6582 11 -8 4 0 133.449 50.8933 27 -8 4 -1 63.9573 28.9187 26 -8 4 -1-30.4725 27.0980 27 -8 4 -2 2488.27 198.720 26 8 4 2 2298.60 237.292 10 -9 0 16-37.4982 35.0619 19 9 0 -15 594.810 139.995 12 9 0 -14-31.7620 28.9560 12 9 0 -13 37.3765 38.1310 15 9 0 -13 59.4256 34.8396 12 9 0 -12 0.41795 68.1889 12 9 0 -11 5594.42 568.876 12 9 0 -10 12.3318 59.9976 20 9 0 -9 5346.26 623.110 20 -9 0 8-6.66916 37.5647 16 9 0 -8-37.2030 119.362 20 -9 0 7 2993.22 359.535 16 9 0 -7 2843.06 466.054 20 -9 0 6-16.3469 39.0647 16 9 0 -5 3354.30 530.915 29 9 0 -4 57.2501 114.655 29 -9 0 3 1846.63 265.577 18 9 0 -3 1987.26 406.152 29 -9 0 2-19.3770 26.7719 18 9 0 -2 36.3150 81.1161 29 -9 0 1 4531.03 421.558 18 9 0 -1 5099.52 655.006 29 -9 0 0-10.5015 51.1731 18 9 0 0-67.4091 82.1119 29 -9 0 -1 2389.16 305.975 18 9 0 1 3052.58 513.031 29 9 0 2-317.016 145.403 22 -9 0 -2-33.6643 54.8510 18 9 0 2-69.6333 123.311 29 9 0 3 1552.53 310.000 22 -9 0 -3 1772.97 256.021 18 9 0 3 1272.81 312.909 29 9 0 4-294.582 133.004 22 -9 0 -4 5.05712 57.3981 18 9 0 4-221.594 132.799 29 -9 0 -5 549.904 130.740 18 9 0 5 480.653 179.672 29 -9 0 -6-42.6440 46.9444 18 9 0 6 45.6393 38.0187 29 -9 0 -7 2342.31 243.752 18 9 0 7 2396.50 333.969 29 -9 0 -8-20.3553 33.6066 18 -9 1 16 447.049 106.436 19 9 1 -16 488.392 86.8907 31 9 -1 -15 1812.47 194.843 15 9 1 -15 2073.61 235.267 21 -9 -1 15 1817.76 239.081 19 -9 1 15 2236.44 275.384 19 -9 1 14 99.1225 51.0710 16 9 -1 -14 85.0142 43.4476 15 9 1 -14 80.2746 44.9316 21 9 1 -14 89.3419 53.6078 12 9 -1 -14 44.6623 26.9366 12 -9 1 13 48.0817 47.0872 16 9 1 -13 146.711 93.3623 21 9 1 -13 81.9350 79.2131 12 9 -1 -13-8.87437 27.2584 12 9 1 -12 1243.19 242.781 21 9 1 -12 1171.09 237.855 12 9 -1 -12 1410.98 270.031 12 -9 1 12 1247.04 210.919 16 -9 1 11-6.98390 43.7619 16 9 1 -11-23.0425 85.0437 21 9 1 -11-24.1418 88.5549 12 9 -1 -11 15.2657 84.6790 12 9 1 -10 1532.79 305.315 21 9 1 -10 1672.37 308.856 12 9 -1 -10 1579.38 299.145 12 9 1 -10 1720.52 349.563 20 -9 1 10 1540.63 261.840 16 -9 1 9 1343.68 244.495 16 9 1 -9 1164.10 280.517 21 9 -1 -9 1081.92 265.813 20 9 1 -9 1004.77 292.057 20 -9 1 8 1233.66 232.913 16 9 1 -8 836.945 214.267 21 9 -1 -8 916.677 252.918 20 9 1 -8 712.633 217.307 20 -9 1 8 737.059 163.402 18 9 1 -7 2242.41 397.392 21 9 -1 -7 2263.56 400.349 20 9 1 -7 2160.76 416.730 20 -9 1 7 2290.00 293.589 18 -9 1 7 2397.71 328.545 16 -9 1 6 130.478 72.0377 16 9 -1 -6-10.4488 53.7495 22 9 1 -6 136.365 64.5642 21 9 -1 -6 316.051 180.089 20 9 1 -6 123.787 51.7909 20 -9 1 6 199.872 102.867 18 -9 1 5 6299.78 533.516 16 9 -1 -5 6733.49 686.998 22 9 1 -5 5489.81 629.527 21 -9 1 5 5830.84 482.615 18 9 1 -5 6604.13 754.474 29 9 -1 -4 11976.8 935.569 22 9 1 -4 11232.2 922.109 21 -9 1 4 11983.0 695.034 18 9 1 -4 13612.9 1085.73 29 9 -1 -3 2009.68 383.639 22 9 1 -3 1833.44 368.421 21 -9 1 3 1855.85 274.534 18 9 -1 -3 2032.82 403.358 29 9 1 -3 2060.75 420.135 29 9 -1 -2 267.518 160.335 22 9 1 -2 261.677 162.901 21 -9 1 2 268.490 91.3413 18 9 -1 -2 564.268 202.499 29 9 1 -2 316.180 161.469 29 9 -1 -1 124.036 132.682 22 9 1 -1 191.909 122.937 21 -9 1 1 65.1580 28.3886 18 9 1 -1 216.922 138.918 29 9 -1 0 185.967 151.261 22 9 1 0 157.616 149.451 21 -9 1 0 45.7947 28.0800 18 9 1 0 10.9800 102.947 29 9 -1 1 104.030 155.962 22 9 1 1 94.8284 110.299 21 -9 1 -1 213.526 86.6258 18 9 1 1 265.537 155.334 29 9 -1 2 1545.84 324.976 22 -9 1 -2 1299.21 219.413 18 9 1 2 1704.26 369.261 29 9 -1 3 1833.80 333.380 22 -9 1 -3 1572.95 234.507 18 -9 -1 -3 1517.63 228.467 18 9 1 3 1946.56 392.468 29 -9 1 -3 1340.93 213.736 4 9 -1 4 729.571 210.015 22 -9 1 -4 635.270 142.921 18 -9 -1 -4 720.559 147.814 18 9 1 4 670.932 197.782 29 -9 1 -4 757.979 156.721 4 9 -1 5 100.295 65.9293 22 -9 1 -5 287.766 96.1004 18 -9 -1 -5 411.201 113.766 18 9 1 5 334.643 141.231 29 9 -1 6 869.926 204.837 22 -9 1 -6 927.941 156.576 18 -9 -1 -6 705.951 134.425 18 9 1 6 767.969 227.206 29 9 -1 7 2939.34 331.092 22 -9 1 -7 2729.79 244.659 18 -9 -1 -7 2780.29 246.462 18 9 1 7 3247.10 398.129 29 9 -1 8 13812.7 624.380 22 -9 1 -8 14812.3 490.411 18 9 1 8 15173.8 748.188 29 9 -2 -14 274.139 78.4471 15 9 2 -14 329.135 69.1353 7 9 2 -14 454.179 109.027 21 9 2 -14 285.947 71.4240 31 -9 2 13 41.8719 36.9966 16 9 2 -13 62.7111 52.3180 21 9 2 -13-6.38624 30.3184 31 -9 2 12 294.959 95.2948 16 9 2 -12 182.785 72.4131 21 -9 2 11 121.480 56.0712 16 9 2 -11 262.267 114.366 21 -9 2 10 377.516 118.885 16 9 2 -10 265.109 128.022 21 9 2 -9 1384.15 288.939 21 9 2 -9 1774.25 325.304 20 -9 2 9 1427.08 242.787 16 -9 2 8 1110.16 221.703 16 9 2 -8 772.011 219.318 21 9 2 -8 883.380 234.770 20 9 2 -7 7129.06 672.751 21 9 2 -7 6372.83 641.805 20 -9 2 7 6719.56 487.319 18 -9 2 7 6837.93 539.876 16 9 2 -6 23280.0 1250.83 21 9 2 -6 21371.7 1198.10 20 -9 2 6 22308.9 902.382 18 -9 2 6 22079.9 972.586 16 9 -2 -5 16174.0 1040.12 22 9 2 -5 16017.1 1054.70 21 9 2 -5 15490.5 1034.59 20 -9 2 5 16827.9 792.294 18 -9 2 5 16194.0 832.334 16 -9 2 4 30720.2 1147.20 16 -9 2 4 27920.5 990.100 26 9 -2 -4 31590.3 1456.73 22 9 2 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161.797 22 9 2 5 379.771 116.095 21 -9 2 -5 532.197 110.190 18 9 2 5 540.745 166.503 29 9 -2 6-17.6572 33.9315 22 9 2 6 97.9528 59.4587 21 -9 2 -6-44.0302 27.8215 18 9 2 6 26.2658 69.2521 29 9 2 7 970.260 173.408 21 -9 3 11 47.4606 18.7099 16 9 3 -11 90.1970 67.8195 21 -9 3 10-36.3771 30.8616 26 -9 3 10 23.4237 31.2168 16 -9 3 9 81.2696 40.4719 16 -9 3 9 48.6477 39.8063 26 9 3 -9 34.0253 33.8620 21 -9 3 8-16.6412 43.1306 16 -9 3 8-37.4635 28.4797 26 9 3 -8-59.2728 72.3645 21 -9 3 7-14.7560 32.2425 26 -9 3 7 49.0387 42.9535 16 9 3 -7 94.0594 46.6584 21 -9 3 6 505.172 115.855 26 -9 3 6 390.182 116.193 16 9 3 -6 567.192 174.459 21 -9 3 5 249.974 81.5197 26 -9 3 5 248.126 92.1015 16 9 3 -5 239.878 125.929 21 -9 3 5 209.939 76.8827 18 -9 3 4 3129.51 305.021 26 9 3 -4 3253.57 419.990 21 -9 3 4 2965.35 295.111 18 -9 3 4 2844.74 301.894 16 -9 3 3 10885.3 565.183 26 9 -3 -3 12686.1 812.105 22 9 3 -3 12238.0 819.700 21 -9 3 3 11424.9 575.017 18 -9 3 3 10290.3 563.520 16 -9 3 2 39311.9 1062.39 26 9 -3 -2 40611.7 1450.77 22 9 3 -2 42220.6 1518.76 21 -9 3 2 39272.3 1052.77 18 9 3 -2 35422.8 1140.60 10 -9 3 2 35216.8 1004.02 16 -9 3 1 11062.9 555.034 26 9 -3 -1 10121.9 708.759 22 9 3 -1 11410.2 785.456 21 -9 3 1 10642.8 534.384 18 9 3 -1 9946.17 596.971 10 -9 3 0 5203.55 371.493 26 9 -3 0 4962.72 483.418 22 9 3 0 5339.25 521.771 21 -9 3 0 4833.27 348.679 18 9 3 0 4813.13 406.465 10 -9 3 -1 169.819 58.0254 26 9 -3 1 193.154 70.5717 22 9 3 1 133.119 92.8859 21 9 3 1 80.7690 49.7050 10 -9 3 -1 237.403 75.9522 18 -9 3 -2 374.548 94.1066 26 9 -3 2 268.775 91.6011 22 9 3 2 278.341 114.524 21 9 3 2 288.358 88.5355 10 -9 3 -2 233.587 65.8292 18 9 3 3 75.1023 66.4654 21 9 3 3 30.9719 24.7143 10 -9 3 -4 220.251 64.9395 26 -10 0 15 17.4098 24.1571 19 10 0 -14 6.67976 28.8077 12 10 0 -13-27.7444 38.6404 12 10 0 -12 759.865 173.925 12 10 0 -11-89.6344 70.1583 12 10 0 -10 2950.82 393.836 12 10 0 -10 3754.11 486.896 20 10 0 -9 81.3268 87.2621 20 -10 0 8 265.464 106.069 16 10 0 -8 472.729 202.135 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227.253 16 -11 1 5 227.339 78.0522 16 11 1 -5 215.709 105.300 21 11 -1 -5 215.053 99.6955 20 11 1 -5 168.223 44.1511 20 -11 1 5 226.411 72.6462 18 -11 1 4 822.821 165.107 16 11 1 -4 596.890 175.795 21 11 -1 -4 470.027 145.092 20 11 1 -4 420.110 146.335 20 -11 1 4 544.648 123.381 18 -11 1 3 107.449 57.9463 16 11 -1 -3 277.547 111.636 22 11 1 -3 226.526 105.910 21 11 -1 -3 243.292 105.449 20 -11 1 3 212.851 72.9745 18 -11 1 2 52.2597 37.0247 16 11 -1 -2-51.9363 83.1647 22 11 1 -2-9.13613 71.0378 21 11 -1 -2 26.1077 55.4524 20 -11 1 2-4.84424 18.4155 18 11 1 -2-14.9754 60.9384 29 -11 1 1 2881.57 289.905 16 11 -1 -1 2657.36 332.081 22 11 1 -1 2263.31 309.159 21 -11 1 1 2255.75 244.106 18 11 1 -1 2958.14 406.936 29 -11 1 0 6181.19 409.063 16 11 -1 0 5292.25 448.671 22 11 1 0 4579.91 426.232 21 -11 1 0 5113.73 353.416 18 11 1 0 5957.88 560.892 29 -11 1 -1 3016.40 270.854 16 11 -1 1 2554.53 293.116 22 11 1 1 2288.23 287.359 21 -11 1 -1 2703.50 244.893 18 11 1 1 2935.70 372.808 29 -11 1 -2 2529.79 230.928 16 11 -1 2 2271.94 252.803 22 -11 1 -2 2649.01 226.765 18 11 1 2 2880.05 342.900 29 -11 2 10 16.0972 15.6433 16 11 2 -10 8.20399 31.5874 21 -11 2 9 79.1563 47.4522 16 11 2 -9 9.79116 23.6562 21 -11 2 8 51.5548 24.9670 16 11 2 -8 83.4449 41.7120 21 -11 2 7 38.4877 39.2805 16 11 2 -7 28.8470 61.9187 21 11 2 -7 19.5516 28.1351 20 -11 2 6-61.1181 50.7630 16 11 2 -6-49.8971 55.2169 21 11 2 -6 104.280 58.4429 20 -11 2 5 56.2517 46.2331 16 11 2 -5-16.5980 25.6297 21 11 2 -5 96.1489 73.8669 20 -11 2 5 54.2615 17.1819 18 -11 2 4 260.789 79.9977 16 11 2 -4 391.979 128.663 21 11 2 -4 118.963 70.6343 20 -11 2 4 248.657 74.9532 18 -11 2 3 64.7246 39.8280 16 11 2 -3 39.4289 57.6773 21 11 2 -3 38.3129 19.4221 20 -11 2 3 73.3494 43.1359 18 -11 2 2 145.984 56.0801 16 11 -2 -2 255.961 109.228 22 11 2 -2 77.6156 65.2444 21 11 2 -2 191.163 70.7293 20 -11 2 2 154.652 60.9005 18 11 -2 -1 1707.49 235.344 22 11 2 -1 1717.62 248.300 21 11 2 -1 1448.26 210.242 20 -11 2 1 1499.18 168.816 18 -11 2 1 1516.36 174.850 16 11 -2 0 5864.54 417.565 22 11 2 0 5464.69 419.100 21 -11 2 0 5489.46 305.981 18 12 0 -9-29.8408 36.7392 12 12 0 -8 1743.51 219.511 12 12 0 -8 1894.16 248.688 20 12 0 -7 24.5960 38.0144 20 12 0 -6 435.060 132.471 20 -12 0 5-47.0384 45.6234 16 12 0 -5 47.4031 42.9064 20 -12 0 4 510.057 100.098 16 12 0 -4 622.828 150.553 20 -12 0 3 29.8686 38.6694 16 12 0 -3 13.1658 28.9514 20 12 0 -2 683.644 145.700 20 -12 0 2 797.777 123.282 16 12 -1 -7 1518.52 193.033 12 12 1 -7 2078.31 254.551 20 -12 1 7 1660.48 178.148 16 -12 1 6-22.0823 42.9671 16 12 1 -6-26.1288 49.2102 20 -12 1 5 612.322 109.044 16 12 1 -5 786.216 161.624 20 -12 1 4 232.769 71.5840 16 12 1 -4 233.060 85.4446 20 -12 1 3 21.7658 22.4336 16 12 1 -3-53.3545 36.6797 20 0 0 0 0.00 0.00 0 TITL s15phy4 in P2(1)/n REM P2(1)/n (#14 in standard setting) CELL 1.54184 10.040299 4.670970 15.605563 90.0000 106.4068 90.0000 ZERR 2.00 0.000406 0.000146 0.000671 0.0000 0.0045 0.0000 LATT 1 SYMM -x+1/2, y+1/2,-z+1/2 SFAC C H UNIT 48.00 24.00 TREF HKLF 4 END ; _shelx_hkl_checksum 4186