data_xr25 _audit_creation_method 'SHELXL-2016/4' _shelx_SHELXL_version_number '2016/4' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C6 H8 F2 N2 O' _chemical_formula_sum 'C6 H8 F2 N2 O' _chemical_formula_weight 162.14 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' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0061 0.0033 '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' 'F' 'F' 0.0171 0.0103 '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/c' _space_group_name_Hall '-P 2ybc' _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+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 7.914(4) _cell_length_b 10.509(5) _cell_length_c 9.039(5) _cell_angle_alpha 90 _cell_angle_beta 105.295(11) _cell_angle_gamma 90 _cell_volume 725.1(7) _cell_formula_units_Z 4 _cell_measurement_temperature 138(2) _cell_measurement_reflns_used 697 _cell_measurement_theta_min 2.67 _cell_measurement_theta_max 24.78 _exptl_crystal_description 'plate' _exptl_crystal_colour 'colourless' _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.485 _exptl_crystal_F_000 336 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.500 _exptl_crystal_size_mid 0.400 _exptl_crystal_size_min 0.080 _exptl_absorpt_coefficient_mu 0.137 _shelx_estimated_absorpt_T_min 0.935 _shelx_estimated_absorpt_T_max 0.989 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.65 _exptl_absorpt_correction_T_max 0.99 _exptl_absorpt_process_details SADABS _exptl_absorpt_special_details ? _diffrn_ambient_temperature 138(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'sealed tube' _diffrn_radiation_monochromator 'graphite' _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'omega scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 6625 _diffrn_reflns_av_unetI/netI 0.0344 _diffrn_reflns_av_R_equivalents 0.0425 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -11 _diffrn_reflns_limit_l_max 11 _diffrn_reflns_theta_min 2.668 _diffrn_reflns_theta_max 26.454 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.997 _diffrn_measured_fraction_theta_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.997 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 0.997 _diffrn_reflns_point_group_measured_fraction_full 1.000 _reflns_number_total 1488 _reflns_number_gt 998 _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 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'Bruker SHELXTL' _computing_structure_refinement 'SHELXL-2016/4 (Sheldrick, 2016)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _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^)+(0.0500P)^2^+0.4833P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens mixed _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 1488 _refine_ls_number_parameters 109 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0825 _refine_ls_R_factor_gt 0.0475 _refine_ls_wR_factor_ref 0.1400 _refine_ls_wR_factor_gt 0.1168 _refine_ls_goodness_of_fit_ref 1.074 _refine_ls_restrained_S_all 1.074 _refine_ls_shift/su_max 0.004 _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 F1 F 0.6194(3) 0.2998(2) 0.4906(2) 0.0860(7) Uani 1 1 d . . . . . F2 F 0.6946(3) 0.47847(19) 0.60293(19) 0.0790(6) Uani 1 1 d . . . . . O1 O 0.9516(3) 0.65933(18) 0.0262(2) 0.0498(5) Uani 1 1 d . . . . . N1 N 0.8918(3) 0.4426(2) 0.1950(2) 0.0430(5) Uani 1 1 d . . . . . N2 N 0.8870(3) 0.37176(18) 0.3175(2) 0.0422(5) Uani 1 1 d . . . . . C1 C 0.7871(3) 0.4373(2) 0.3851(2) 0.0392(6) Uani 1 1 d . . . . . C2 C 0.7297(3) 0.5505(2) 0.3076(3) 0.0416(6) Uani 1 1 d . . . . . H2 H 0.657006 0.613745 0.334206 0.050 Uiso 1 1 calc R U . . . C3 C 0.8001(3) 0.5509(2) 0.1857(3) 0.0390(6) Uani 1 1 d . . . . . C4 C 0.7509(4) 0.3850(3) 0.5259(3) 0.0512(7) Uani 1 1 d . . . . . H4 H 0.858841 0.344722 0.592451 0.061 Uiso 1 1 calc R U . . . C5 C 0.7851(3) 0.6424(2) 0.0556(3) 0.0449(6) Uani 1 1 d . . . . . H5 H 0.743160 0.726270 0.084273 0.054 Uiso 1 1 calc R U . . . C6 C 0.6601(4) 0.5959(3) -0.0876(3) 0.0584(8) Uani 1 1 d . . . . . H6A H 0.655499 0.656776 -0.170640 0.088 Uiso 1 1 calc R U . . . H6B H 0.543208 0.587285 -0.070778 0.088 Uiso 1 1 calc R U . . . H6C H 0.699171 0.512949 -0.115551 0.088 Uiso 1 1 calc R U . . . H1N H 0.956(3) 0.416(2) 0.136(3) 0.042(7) Uiso 1 1 d . . . . . H1O H 1.004(5) 0.713(4) 0.074(5) 0.104(16) Uiso 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 F1 0.1089(15) 0.0937(15) 0.0645(12) 0.0173(10) 0.0388(11) -0.0304(12) F2 0.1130(15) 0.0902(14) 0.0487(10) 0.0055(9) 0.0475(10) 0.0295(11) O1 0.0667(13) 0.0404(10) 0.0541(12) -0.0030(9) 0.0371(10) -0.0077(10) N1 0.0556(13) 0.0443(12) 0.0366(11) -0.0022(9) 0.0255(10) -0.0055(10) N2 0.0572(13) 0.0391(11) 0.0359(11) 0.0008(9) 0.0224(10) -0.0003(9) C1 0.0477(14) 0.0439(14) 0.0269(11) -0.0028(10) 0.0115(10) -0.0027(11) C2 0.0526(15) 0.0411(13) 0.0338(12) -0.0005(10) 0.0161(11) 0.0017(11) C3 0.0449(13) 0.0373(13) 0.0355(12) -0.0029(10) 0.0118(10) -0.0041(11) C4 0.0597(17) 0.0626(18) 0.0363(13) 0.0052(12) 0.0218(12) 0.0118(14) C5 0.0603(16) 0.0405(14) 0.0399(13) 0.0004(11) 0.0236(12) -0.0039(12) C6 0.085(2) 0.0508(16) 0.0404(14) 0.0057(13) 0.0183(14) -0.0093(15) _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 F1 C4 1.346(3) . ? F2 C4 1.346(3) . ? O1 C5 1.423(3) . ? N1 C3 1.341(3) . ? N1 N2 1.344(3) . ? N2 C1 1.314(3) . ? C1 C2 1.395(3) . ? C1 C4 1.483(3) . ? C2 C3 1.359(3) . ? C3 C5 1.499(3) . ? C5 C6 1.489(4) . ? 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 C3 N1 N2 112.9(2) . . ? C1 N2 N1 104.1(2) . . ? N2 C1 C2 111.7(2) . . ? N2 C1 C4 118.7(2) . . ? C2 C1 C4 129.5(2) . . ? C3 C2 C1 105.1(2) . . ? N1 C3 C2 106.1(2) . . ? N1 C3 C5 121.5(2) . . ? C2 C3 C5 132.3(2) . . ? F2 C4 F1 105.5(2) . . ? F2 C4 C1 109.8(2) . . ? F1 C4 C1 110.8(2) . . ? O1 C5 C6 108.4(2) . . ? O1 C5 C3 109.9(2) . . ? C6 C5 C3 111.6(2) . . ? 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 C3 N1 N2 C1 0.9(3) . . . . ? N1 N2 C1 C2 -0.8(3) . . . . ? N1 N2 C1 C4 179.1(2) . . . . ? N2 C1 C2 C3 0.3(3) . . . . ? C4 C1 C2 C3 -179.5(3) . . . . ? N2 N1 C3 C2 -0.8(3) . . . . ? N2 N1 C3 C5 -178.6(2) . . . . ? C1 C2 C3 N1 0.3(3) . . . . ? C1 C2 C3 C5 177.8(3) . . . . ? N2 C1 C4 F2 161.4(2) . . . . ? C2 C1 C4 F2 -18.8(4) . . . . ? N2 C1 C4 F1 -82.4(3) . . . . ? C2 C1 C4 F1 97.4(3) . . . . ? N1 C3 C5 O1 -44.4(3) . . . . ? C2 C3 C5 O1 138.4(3) . . . . ? N1 C3 C5 C6 75.9(3) . . . . ? C2 C3 C5 C6 -101.3(3) . . . . ? _refine_diff_density_max 0.401 _refine_diff_density_min -0.188 _refine_diff_density_rms 0.046 _shelx_res_file ; TITL xr25 in P2(1)/c xr25.res created by SHELXL-2016/4 at 19:23:36 on 06-Jun-2018 CELL 0.71073 7.9141 10.5087 9.0392 90.000 105.295 90.000 ZERR 4.00 0.0043 0.0052 0.0051 0.000 0.011 0.000 LATT 1 SYMM -X, 0.5+Y, 0.5-Z SFAC C H N O F UNIT 24 32 8 4 8 L.S. 4 BOND acta conf htab FMAP 2 PLAN 20 SIZE 0.08 0.40 0.50 TEMP -135 WGHT 0.050000 0.483300 FVAR 0.98974 MOLE 1 F1 5 0.619431 0.299785 0.490596 11.00000 0.10887 0.09369 = 0.06454 0.01733 0.03875 -0.03041 F2 5 0.694586 0.478474 0.602932 11.00000 0.11297 0.09023 = 0.04866 0.00548 0.04747 0.02948 O1 4 0.951649 0.659327 0.026240 11.00000 0.06674 0.04042 = 0.05414 -0.00295 0.03706 -0.00769 N1 3 0.891802 0.442557 0.194958 11.00000 0.05560 0.04431 = 0.03661 -0.00224 0.02550 -0.00549 N2 3 0.886971 0.371763 0.317549 11.00000 0.05719 0.03912 = 0.03587 0.00081 0.02236 -0.00033 C1 1 0.787090 0.437334 0.385079 11.00000 0.04766 0.04387 = 0.02688 -0.00281 0.01148 -0.00272 C2 1 0.729660 0.550549 0.307594 11.00000 0.05261 0.04111 = 0.03380 -0.00046 0.01607 0.00169 AFIX 43 H2 2 0.657006 0.613745 0.334206 11.00000 -1.20000 AFIX 0 C3 1 0.800115 0.550937 0.185746 11.00000 0.04494 0.03735 = 0.03550 -0.00287 0.01176 -0.00412 C4 1 0.750866 0.385029 0.525945 11.00000 0.05971 0.06262 = 0.03634 0.00523 0.02177 0.01176 AFIX 13 H4 2 0.858841 0.344722 0.592451 11.00000 -1.20000 AFIX 0 C5 1 0.785070 0.642364 0.055600 11.00000 0.06025 0.04052 = 0.03985 0.00045 0.02356 -0.00394 AFIX 13 H5 2 0.743160 0.726270 0.084273 11.00000 -1.20000 AFIX 0 C6 1 0.660054 0.595870 -0.087578 11.00000 0.08482 0.05083 = 0.04040 0.00574 0.01827 -0.00928 AFIX 137 H6A 2 0.655499 0.656776 -0.170640 11.00000 -1.50000 H6B 2 0.543208 0.587285 -0.070778 11.00000 -1.50000 H6C 2 0.699171 0.512949 -0.115551 11.00000 -1.50000 AFIX 0 H1N 2 0.955828 0.416269 0.136474 11.00000 0.04209 H1O 2 1.003800 0.712624 0.073796 11.00000 0.10437 HKLF 4 REM xr25 in P2(1)/c REM R1 = 0.0475 for 998 Fo > 4sig(Fo) and 0.0825 for all 1488 data REM 109 parameters refined using 0 restraints END WGHT 0.0480 0.4987 REM Instructions for potential hydrogen bonds EQIV $1 x, y, z- HTAB C6 F2_$1 EQIV $2 -x+2, -y+1, - HTAB N1 O1_$2 EQIV $3 -x+2, y+1/2, -z+1/ HTAB O1 N2_$3 REM Highest difference peak 0.401, deepest hole -0.188, 1-sigma level 0.046 Q1 1 0.6190 0.6706 -0.0193 11.00000 0.05 0.40 Q2 1 0.7792 0.5709 -0.0013 11.00000 0.05 0.39 Q3 1 0.7824 0.4199 0.4529 11.00000 0.05 0.20 Q4 1 0.9617 0.3239 0.3372 11.00000 0.05 0.17 Q5 1 0.9598 0.6414 -0.0727 11.00000 0.05 0.16 Q6 1 0.6647 0.2213 0.4332 11.00000 0.05 0.16 Q7 1 0.5752 0.4186 0.5449 11.00000 0.05 0.15 Q8 1 0.7110 0.5536 0.2129 11.00000 0.05 0.15 Q9 1 0.7265 0.4510 0.3354 11.00000 0.05 0.14 Q10 1 0.5000 0.5000 0.5000 10.50000 0.05 0.14 Q11 1 0.7442 0.2756 0.5180 11.00000 0.05 0.14 Q12 1 0.7950 0.4922 0.1545 11.00000 0.05 0.13 Q13 1 0.7837 0.5973 0.1280 11.00000 0.05 0.13 Q14 1 0.8251 0.3878 0.3645 11.00000 0.05 0.13 Q15 1 0.6031 0.5441 0.4764 11.00000 0.05 0.12 Q16 1 0.8444 0.4860 0.3949 11.00000 0.05 0.12 Q17 1 0.8691 0.5206 0.7049 11.00000 0.05 0.12 Q18 1 1.0174 0.5776 0.0497 11.00000 0.05 0.12 Q19 1 0.6802 0.7002 0.3336 11.00000 0.05 0.12 Q20 1 0.4939 0.6105 -0.0877 11.00000 0.05 0.12 ; _shelx_res_checksum 10609 _shelx_hkl_file ; -1 0 0 1163.51 47.56 1 0 0 1185.32 47.65 1 0 0 1232.39 51.31 -1 0 0 1236.68 51.32 -1 0 0 1191.26 47.70 1 0 0 1136.57 47.72 1 0 0 1131.17 60.20 -1 0 0 1151.00 60.33 -2 0 0 5903.37 218.35 -2 0 0 5605.22 275.80 -2 0 0 5624.43 218.50 -2 0 0 5356.93 234.55 2 0 0 5212.63 234.45 2 0 0 5408.51 275.46 2 0 0 5378.62 218.58 2 0 0 5444.92 218.40 -3 0 0 396.24 20.20 3 0 0 385.54 20.07 3 0 0 394.31 16.44 3 0 0 383.74 16.09 -3 0 0 397.25 16.51 3 0 0 353.00 17.68 -3 0 0 351.12 17.77 4 0 0 1.15 1.77 -4 0 0 -1.69 1.67 4 0 0 2.21 1.41 -4 0 0 -1.20 1.63 4 0 0 1.37 1.53 4 0 0 -0.20 1.51 5 0 0 5.97 2.51 -5 0 0 4.28 2.30 5 0 0 4.25 2.32 5 0 0 4.85 1.93 -5 0 0 -1.43 2.26 6 0 0 91.16 6.81 -6 0 0 84.79 7.13 6 0 0 85.51 5.43 -6 0 0 80.61 6.79 -7 0 0 71.91 6.79 8 0 0 1.54 2.51 -8 0 0 4.85 3.94 9 0 0 10.43 3.10 0 -1 0 -3.37 0.48 0 1 0 -4.03 0.43 0 -1 0 -2.13 0.38 0 -1 0 -3.38 0.50 0 1 0 -3.80 0.46 -1 1 0 174.72 7.39 1 1 0 166.17 7.99 1 -1 0 172.61 7.32 -1 -1 0 165.45 7.45 -1 -1 0 164.20 8.02 -1 1 0 163.92 7.32 1 1 0 173.99 7.21 1 -1 0 165.63 9.24 1 1 0 157.34 7.42 1 -1 0 152.56 7.31 -1 -1 0 184.01 7.22 -1 1 0 170.58 9.29 -2 -1 0 30.54 2.59 -2 1 0 42.08 2.59 2 -1 0 35.35 2.39 -2 -1 0 34.89 2.07 -2 1 0 30.26 2.74 2 1 0 34.81 2.33 2 -1 0 34.80 2.73 -2 -1 0 34.90 2.37 -2 1 0 38.43 3.02 2 1 0 34.60 2.59 2 -1 0 32.92 2.86 2 1 0 34.58 2.06 -2 1 0 36.43 2.38 2 1 0 30.00 2.52 -2 -1 0 39.69 2.64 3 -1 0 292.43 14.06 3 1 0 292.88 14.00 -3 1 0 267.18 13.97 3 1 0 293.02 15.31 -3 1 0 295.61 15.99 3 1 0 300.96 12.37 -3 -1 0 289.11 15.40 3 -1 0 285.00 12.66 3 -1 0 279.20 15.77 -3 1 0 301.50 12.92 -3 -1 0 273.20 14.05 3 1 0 281.86 12.90 -3 -1 0 317.96 12.51 -4 1 0 37.64 3.82 4 1 0 39.03 3.70 4 -1 0 43.13 3.84 -4 -1 0 38.64 3.95 4 1 0 41.37 2.87 4 1 0 45.14 3.34 4 -1 0 44.18 3.84 4 1 0 35.39 3.29 4 -1 0 40.77 3.19 -4 -1 0 37.13 3.43 -4 1 0 37.29 3.73 -5 1 0 106.73 7.89 5 -1 0 122.70 7.86 5 -1 0 107.49 6.28 5 1 0 118.45 6.91 5 1 0 108.38 7.39 -5 -1 0 115.07 7.55 5 -1 0 119.78 7.64 5 1 0 113.87 6.06 -5 -1 0 112.15 7.90 -5 1 0 112.33 7.77 6 1 0 54.10 5.30 6 -1 0 57.14 4.36 -6 -1 0 59.27 5.92 -6 1 0 46.92 5.49 6 1 0 55.64 4.80 -6 -1 0 52.18 5.08 -6 1 0 54.29 5.68 6 1 0 50.68 3.98 6 -1 0 60.55 5.51 7 1 0 90.10 5.88 -7 -1 0 91.34 7.44 -7 1 0 85.64 7.89 7 -1 0 90.11 6.15 -8 1 0 3.01 4.08 -8 1 0 3.07 4.12 8 -1 0 -3.55 2.65 8 1 0 -0.85 2.35 9 -1 0 -1.96 2.66 -9 1 0 0.34 3.99 9 1 0 -1.66 2.38 0 -2 0 3587.19 141.97 0 -2 0 3694.74 180.39 0 -2 0 3609.21 142.80 0 2 0 3474.20 142.07 0 2 0 3444.00 180.14 -1 2 0 72.49 3.70 1 -2 0 72.64 3.65 1 2 0 73.15 3.97 1 2 0 69.23 3.81 -1 2 0 68.02 4.55 1 -2 0 72.82 3.67 -1 -2 0 67.62 4.04 -1 2 0 72.80 3.74 -1 -2 0 70.30 3.80 1 -2 0 75.60 4.64 2 2 0 2799.41 115.38 -2 -2 0 3089.78 115.38 2 -2 0 2808.25 115.02 -2 2 0 3056.66 145.44 -2 -2 0 2855.46 115.38 2 -2 0 3018.68 145.29 2 -2 0 2914.65 115.23 2 2 0 3023.44 115.53 2 -2 0 2610.59 123.69 -2 2 0 2892.77 115.27 2 2 0 2859.76 123.78 -2 -2 0 2672.27 123.80 -3 -2 0 86.38 5.62 3 2 0 86.12 4.13 -3 -2 0 96.85 4.29 3 -2 0 91.29 4.88 3 2 0 86.27 5.05 3 -2 0 80.03 5.28 -3 2 0 85.53 4.91 -3 2 0 88.60 6.11 3 2 0 89.14 5.35 -3 -2 0 76.53 4.95 3 -2 0 93.01 6.03 4 2 0 158.60 7.39 -4 -2 0 162.22 9.13 4 2 0 158.99 9.03 -4 2 0 157.64 10.23 -4 -2 0 160.63 9.37 4 -2 0 155.51 8.08 4 2 0 169.51 8.48 4 -2 0 170.28 10.11 -4 2 0 164.15 8.19 4 -2 0 158.62 9.08 5 2 0 121.87 6.07 5 -2 0 123.60 6.83 5 -2 0 116.15 7.68 -5 -2 0 109.00 7.32 5 2 0 111.58 7.52 5 2 0 134.90 7.40 -5 2 0 111.33 8.56 -5 2 0 114.65 6.82 -5 -2 0 117.50 8.06 -6 2 0 -6.12 3.13 -6 -2 0 -5.14 2.48 6 2 0 -6.17 1.64 -6 -2 0 -2.96 2.90 6 -2 0 -4.27 1.98 -6 2 0 0.53 2.52 6 -2 0 2.36 2.60 6 2 0 1.48 2.34 6 2 0 -3.02 2.52 7 2 0 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13.59 6.09 8 -2 -3 22.07 4.28 -8 2 3 25.07 6.30 8 2 -3 29.22 4.03 8 2 -3 35.58 4.61 7 2 -3 2.63 2.65 -7 2 3 1.58 4.15 7 2 -3 -3.49 2.40 7 -2 -3 3.23 3.01 7 -2 -3 1.61 2.85 7 2 -3 4.58 2.65 -7 -2 3 1.41 3.34 -6 -2 3 3.95 2.69 -6 2 3 -2.32 3.74 6 2 -3 3.26 2.52 6 -2 -3 6.12 2.57 -6 2 3 -0.29 1.78 6 2 -3 1.70 2.28 6 2 -3 2.80 2.24 6 -2 -3 3.50 2.54 6 2 -3 7.04 2.34 -5 -2 3 130.97 8.20 -5 2 3 133.42 6.35 5 -2 -3 142.97 8.36 5 2 -3 147.42 8.87 -5 2 3 132.36 6.33 -5 2 3 127.98 9.86 5 -2 -3 145.29 7.72 5 2 -3 142.21 7.31 5 2 -3 125.56 7.84 5 2 -3 152.71 7.26 4 -2 -3 186.23 8.99 4 2 -3 172.27 9.19 4 2 -3 170.17 10.67 4 -2 -3 183.39 9.74 4 2 -3 182.34 8.59 4 -2 -3 180.00 11.10 -4 -2 3 179.56 9.40 -4 2 3 177.01 11.62 4 2 -3 191.07 8.72 3 -2 -3 0.42 1.79 3 -2 -3 1.76 1.64 3 2 -3 -0.11 1.25 -3 -2 3 -0.04 1.10 3 2 -3 1.93 1.44 -3 2 3 1.52 2.50 3 2 -3 2.17 1.15 -2 -2 3 71.09 3.47 2 2 -3 67.51 3.46 2 2 -3 65.23 3.89 -2 -2 3 60.86 4.12 -2 -2 3 70.35 4.07 2 -2 -3 66.09 5.08 2 -2 -3 65.89 4.03 1 2 -3 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