#============================================================================= data_global loop_ _journal_name_full 'European Journal of Chemistry' _journal_coden_ASTM EJCUA9 _journal_volume 14 _journal_issue 1 _journal_year 2023 _journal_page_first 99 _journal_page_last 108 #============================================================================= data_d-27 _audit_creation_date 2022-12-18 _audit_creation_method ; Olex2 1.3-beta (compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272) ; _shelx_SHELXL_version_number 2018/3 loop_ _audit_author_name _audit_author_address 'Dr Divya Pratap Singh' '' _audit_contact_author_address ? _audit_contact_author_email ? _audit_contact_author_name 'Dr Divya Pratap Singh' _audit_contact_author_phone ? _publ_contact_author_id_orcid ? _publ_section_references ; Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H. (2009), J. Appl. Cryst. 42, 339-341. Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8. ; _chemical_name_common ? _chemical_name_systematic ? _chemical_formula_moiety 'C20 H22 N4 O4' _chemical_formula_sum 'C20 H22 N4 O4' _chemical_formula_weight 382.41 _chemical_absolute_configuration ? _chemical_melting_point ? 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' _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. ; _space_group_crystal_system 'monoclinic' _space_group_IT_number 14 _space_group_name_H-M_alt 'P 1 21/c 1' _space_group_name_Hall '-P 2ybc' 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 6.0747(15) _cell_length_b 11.621(5) _cell_length_c 13.453(4) _cell_angle_alpha 90 _cell_angle_beta 94.61(3) _cell_angle_gamma 90 _cell_volume 946.6(5) _cell_formula_units_Z 2 _cell_measurement_reflns_used 262 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 28.9606 _cell_measurement_theta_min 3.0322 _shelx_estimated_absorpt_T_max ? _shelx_estimated_absorpt_T_min ? _exptl_absorpt_coefficient_mu 0.096 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.13476 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro, Agilent Technologies, Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET) (compiled Jan 20 2011,15:58:25) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_absorpt_special_details ? _exptl_crystal_colour Yellow _exptl_crystal_density_diffrn 1.342 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_description Rectangular _exptl_crystal_F_000 404 _exptl_crystal_recrystallization_method Methanol _exptl_crystal_size_max 0.24 _exptl_crystal_size_mid 0.22 _exptl_crystal_size_min 0.19 _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _diffrn_reflns_av_R_equivalents 0.0876 _diffrn_reflns_av_unetI/netI 0.2223 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.852 _diffrn_reflns_limit_h_max 5 _diffrn_reflns_limit_h_min -8 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_l_max 12 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_number 4046 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.852 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 29.025 _diffrn_reflns_theta_min 3.038 _diffrn_ambient_temperature 293(2) _diffrn_detector_area_resol_mean ? _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.852 _diffrn_measurement_device_type 'Xcalibur, Eos' _diffrn_measurement_method ? _diffrn_radiation_probe ? _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_source ? _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 657 _reflns_number_total 2149 _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. ; _reflns_threshold_expression 'I > 2\s(I)' _computing_cell_refinement ? _computing_data_collection ? _computing_data_reduction ? _computing_molecular_graphics 'Olex2 1.3-beta (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.3-beta (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution ? _refine_diff_density_max 0.228 _refine_diff_density_min -0.231 _refine_diff_density_rms 0.054 _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 0.997 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 131 _refine_ls_number_reflns 2149 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.2993 _refine_ls_R_factor_gt 0.0972 _refine_ls_restrained_S_all 0.997 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0495P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1488 _refine_ls_wR_factor_ref 0.2316 _refine_special_details ? _olex2_refinement_description ; 1. Others Fixed Uiso: H2(0.109) H6(0.061) H7(0.066) H3A(0.078) H3B(0.078) H9(0.079) H8(0.081) H2A(0.131) H2B(0.131) H2C(0.131) Fixed X: H2(0.457336) H6(0.245851) H7(-0.061862) H3A(0.768231) H3B(0.590981) H9(0.011122) H8(-0.184028) H2A(0.553735) H2B(0.340331) H2C(0.517203) Fixed Y: H2(0.192637) H6(0.252115) H7(0.363147) H3A(0.121599) H3B(0.204991) H9(0.350483) H8(0.411334) H2A(0.023436) H2B(0.05399) H2C(-0.029225) Fixed Z: H2(-0.042247) H6(0.26315) H7(0.232822) H3A(0.249488) H3B(0.288696) H9(-0.058002) H8(0.072269) H2A(0.35619) H2B(0.28797) H2C(0.248845) ; _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary ? _atom_sites_solution_secondary ? 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 O1 O 0.8325(5) 0.0650(4) -0.0952(3) 0.0626(12) Uani 1 1 d . . . . . O2 O 0.3467(6) 0.2306(4) -0.0588(3) 0.0727(13) Uani 1 1 d . . . . . H2 H 0.457336 0.192637 -0.042247 0.109 Uiso 1 1 calc R U . . . N2 N 0.6116(6) 0.1270(4) 0.0621(3) 0.0448(12) Uani 1 1 d . . . . . N1 N 0.7976(8) 0.0600(5) 0.0721(4) 0.0496(14) Uani 1 1 d . . . . . C5 C 0.3227(7) 0.2320(4) 0.1201(4) 0.0396(13) Uani 1 1 d . . . . . C6 C 0.1997(8) 0.2716(5) 0.1977(4) 0.0506(15) Uani 1 1 d . . . . . H6 H 0.245851 0.252115 0.263150 0.061 Uiso 1 1 calc R U . . . C7 C 0.0148(8) 0.3378(5) 0.1798(5) 0.0550(16) Uani 1 1 d . . . . . H7 H -0.061862 0.363147 0.232822 0.066 Uiso 1 1 calc R U . . . C3 C 0.6113(8) 0.1376(5) 0.2479(4) 0.0653(18) Uani 1 1 d . . . . . H3A H 0.768231 0.121599 0.249488 0.078 Uiso 1 1 calc R U . . . H3B H 0.590981 0.204991 0.288696 0.078 Uiso 1 1 calc R U . . . C10 C 0.2471(8) 0.2614(5) 0.0229(4) 0.0499(15) Uani 1 1 d . . . . . C4 C 0.5202(7) 0.1612(5) 0.1408(4) 0.0472(15) Uani 1 1 d . . . . . C9 C 0.0593(9) 0.3295(5) 0.0069(4) 0.0659(18) Uani 1 1 d . . . . . H9 H 0.011122 0.350483 -0.058002 0.079 Uiso 1 1 calc R U . . . C1 C 0.8965(7) 0.0365(5) -0.0114(4) 0.0488(16) Uani 1 1 d . . . . . C8 C -0.0575(9) 0.3669(5) 0.0847(5) 0.0676(18) Uani 1 1 d . . . . . H8 H -0.184028 0.411334 0.072269 0.081 Uiso 1 1 calc R U . . . C2 C 0.4954(9) 0.0376(5) 0.2889(5) 0.088(2) Uani 1 1 d . . . . . H2A H 0.553735 0.023436 0.356190 0.131 Uiso 1 1 calc R U . . . H2B H 0.340331 0.053990 0.287970 0.131 Uiso 1 1 calc R U . . . H2C H 0.517203 -0.029225 0.248845 0.131 Uiso 1 1 calc R U . . . H1 H 0.872(8) 0.047(6) 0.123(4) 0.09(3) 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 O1 0.071(2) 0.083(3) 0.035(2) -0.003(3) 0.0142(19) 0.007(2) O2 0.086(3) 0.098(4) 0.036(2) 0.005(3) 0.020(2) 0.017(2) N2 0.044(2) 0.058(3) 0.035(3) -0.001(3) 0.016(2) -0.001(2) N1 0.049(3) 0.064(4) 0.038(3) -0.005(3) 0.015(3) 0.005(3) C5 0.043(3) 0.046(4) 0.030(3) -0.004(3) 0.005(2) -0.006(3) C6 0.062(3) 0.059(4) 0.032(3) -0.002(3) 0.015(3) 0.001(3) C7 0.063(4) 0.050(4) 0.055(4) -0.006(4) 0.023(3) 0.006(3) C3 0.065(3) 0.075(5) 0.060(4) -0.005(4) 0.032(3) 0.004(4) C10 0.057(3) 0.054(4) 0.040(4) 0.002(4) 0.008(3) 0.002(3) C4 0.049(3) 0.055(4) 0.039(3) 0.005(3) 0.015(3) -0.006(3) C9 0.086(4) 0.069(5) 0.043(4) 0.013(4) 0.006(3) 0.012(4) C1 0.050(3) 0.058(4) 0.041(3) -0.016(4) 0.022(3) -0.010(3) C8 0.063(4) 0.063(4) 0.078(5) 0.006(5) 0.009(4) 0.010(3) C2 0.103(5) 0.076(5) 0.084(5) 0.011(5) 0.010(4) 0.001(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 O1 C1 1.208(6) . ? O2 H2 0.8200 . ? O2 C10 1.346(6) . ? N2 N1 1.370(6) . ? N2 C4 1.297(6) . ? N1 C1 1.343(6) . ? N1 H1 0.81(5) . ? C5 C6 1.410(6) . ? C5 C10 1.392(7) . ? C5 C4 1.463(6) . ? C6 H6 0.9300 . ? C6 C7 1.367(6) . ? C7 H7 0.9300 . ? C7 C8 1.362(7) . ? C3 H3A 0.9700 . ? C3 H3B 0.9700 . ? C3 C4 1.527(7) . ? C3 C2 1.487(7) . ? C10 C9 1.391(6) . ? C9 H9 0.9300 . ? C9 C8 1.381(7) . ? C1 C1 1.528(10) 3_755 ? C8 H8 0.9300 . ? C2 H2A 0.9600 . ? C2 H2B 0.9600 . ? C2 H2C 0.9600 . ? 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 C10 O2 H2 109.5 . . ? C4 N2 N1 119.9(5) . . ? N2 N1 H1 126(4) . . ? C1 N1 N2 117.0(5) . . ? C1 N1 H1 115(4) . . ? C6 C5 C4 121.2(5) . . ? C10 C5 C6 117.4(5) . . ? C10 C5 C4 121.4(5) . . ? C5 C6 H6 119.0 . . ? C7 C6 C5 122.0(5) . . ? C7 C6 H6 119.0 . . ? C6 C7 H7 119.9 . . ? C8 C7 C6 120.2(6) . . ? C8 C7 H7 119.9 . . ? H3A C3 H3B 108.2 . . ? C4 C3 H3A 109.6 . . ? C4 C3 H3B 109.6 . . ? C2 C3 H3A 109.6 . . ? C2 C3 H3B 109.6 . . ? C2 C3 C4 110.1(5) . . ? O2 C10 C5 124.4(5) . . ? O2 C10 C9 116.2(5) . . ? C9 C10 C5 119.4(5) . . ? N2 C4 C5 114.6(5) . . ? N2 C4 C3 124.7(5) . . ? C5 C4 C3 120.7(5) . . ? C10 C9 H9 119.1 . . ? C8 C9 C10 121.7(6) . . ? C8 C9 H9 119.1 . . ? O1 C1 N1 126.3(5) . . ? O1 C1 C1 122.5(6) . 3_755 ? N1 C1 C1 111.2(6) . 3_755 ? C7 C8 C9 119.2(6) . . ? C7 C8 H8 120.4 . . ? C9 C8 H8 120.4 . . ? C3 C2 H2A 109.5 . . ? C3 C2 H2B 109.5 . . ? C3 C2 H2C 109.5 . . ? H2A C2 H2B 109.5 . . ? H2A C2 H2C 109.5 . . ? H2B C2 H2C 109.5 . . ? 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 O2 C10 C9 C8 -179.9(5) . . . . ? N2 N1 C1 O1 -3.1(9) . . . . ? N2 N1 C1 C1 178.8(5) . . . 3_755 ? N1 N2 C4 C5 -179.9(4) . . . . ? N1 N2 C4 C3 3.3(8) . . . . ? C5 C6 C7 C8 0.6(8) . . . . ? C5 C10 C9 C8 -1.4(9) . . . . ? C6 C5 C10 O2 179.7(5) . . . . ? C6 C5 C10 C9 1.3(8) . . . . ? C6 C5 C4 N2 177.3(5) . . . . ? C6 C5 C4 C3 -5.8(8) . . . . ? C6 C7 C8 C9 -0.6(9) . . . . ? C10 C5 C6 C7 -0.9(8) . . . . ? C10 C5 C4 N2 -1.7(7) . . . . ? C10 C5 C4 C3 175.1(5) . . . . ? C10 C9 C8 C7 1.0(10) . . . . ? C4 N2 N1 C1 -173.8(5) . . . . ? C4 C5 C6 C7 -180.0(5) . . . . ? C4 C5 C10 O2 -1.3(8) . . . . ? C4 C5 C10 C9 -179.6(5) . . . . ? C2 C3 C4 N2 -98.5(6) . . . . ? C2 C3 C4 C5 85.0(6) . . . . ? _shelx_res_file ; TITL D-27 in P2(1)/c d-27.res created by SHELXL-2018/3 at 12:25:14 on 01-Dec-2022 CELL 0.71073 6.0747 11.6213 13.4526 90 94.611 90 ZERR 2 0.0015 0.0046 0.0043 0 0.027 0 LATT 1 SYMM -X,0.5+Y,0.5-Z SFAC C H N O UNIT 40 44 8 8 L.S. 10 PLAN 5 CONF BOND $H fmap 2 MORE -1 ACTA MERG 2 REM REM REM WGHT 0.049500 FVAR 3.38966 O1 4 0.832541 0.065012 -0.095180 11.00000 0.07135 0.08302 = 0.03490 -0.00320 0.01416 0.00707 O2 4 0.346711 0.230646 -0.058836 11.00000 0.08639 0.09820 = 0.03584 0.00470 0.02008 0.01653 AFIX 83 H2 2 0.457336 0.192637 -0.042247 11.00000 -1.50000 AFIX 0 N2 3 0.611608 0.127005 0.062071 11.00000 0.04350 0.05805 = 0.03492 -0.00052 0.01631 -0.00117 N1 3 0.797591 0.060032 0.072069 11.00000 0.04901 0.06400 = 0.03762 -0.00533 0.01479 0.00487 C5 1 0.322723 0.231996 0.120063 11.00000 0.04328 0.04610 = 0.02972 -0.00366 0.00454 -0.00559 C6 1 0.199744 0.271625 0.197723 11.00000 0.06169 0.05946 = 0.03244 -0.00205 0.01496 0.00130 AFIX 43 H6 2 0.245851 0.252115 0.263150 11.00000 -1.20000 AFIX 0 C7 1 0.014826 0.337841 0.179840 11.00000 0.06282 0.05047 = 0.05473 -0.00602 0.02276 0.00623 AFIX 43 H7 2 -0.061862 0.363147 0.232822 11.00000 -1.20000 AFIX 0 C3 1 0.611263 0.137578 0.247907 11.00000 0.06514 0.07537 = 0.05965 -0.00543 0.03192 0.00379 AFIX 23 H3A 2 0.768231 0.121599 0.249488 11.00000 -1.20000 H3B 2 0.590981 0.204991 0.288696 11.00000 -1.20000 AFIX 0 C10 1 0.247077 0.261444 0.022941 11.00000 0.05678 0.05399 = 0.03957 0.00152 0.00780 0.00231 C4 1 0.520174 0.161180 0.140755 11.00000 0.04947 0.05502 = 0.03880 0.00531 0.01473 -0.00595 C9 1 0.059283 0.329549 0.006851 11.00000 0.08573 0.06899 = 0.04307 0.01301 0.00584 0.01193 AFIX 43 H9 2 0.011122 0.350483 -0.058002 11.00000 -1.20000 AFIX 0 C1 1 0.896503 0.036536 -0.011402 11.00000 0.04966 0.05829 = 0.04148 -0.01553 0.02178 -0.01002 C8 1 -0.057496 0.366884 0.084682 11.00000 0.06281 0.06274 = 0.07783 0.00563 0.00855 0.01030 AFIX 43 H8 2 -0.184028 0.411334 0.072269 11.00000 -1.20000 AFIX 0 C2 1 0.495360 0.037582 0.288858 11.00000 0.10276 0.07571 = 0.08441 0.01109 0.00955 0.00055 AFIX 33 H2A 2 0.553735 0.023436 0.356190 11.00000 -1.50000 H2B 2 0.340331 0.053990 0.287970 11.00000 -1.50000 H2C 2 0.517203 -0.029225 0.248845 11.00000 -1.50000 AFIX 0 H1 2 0.871605 0.046913 0.123386 11.00000 0.08550 HKLF 4 REM D-27 in P2(1)/c REM wR2 = 0.2316, GooF = S = 0.997, Restrained GooF = 0.997 for all data REM R1 = 0.0972 for 657 Fo > 4sig(Fo) and 0.2993 for all 2149 data REM 131 parameters refined using 0 restraints END WGHT 0.0495 0.0000 REM Highest difference peak 0.228, deepest hole -0.231, 1-sigma level 0.054 Q1 1 0.7709 0.1118 0.3084 11.00000 0.05 0.23 Q2 1 0.6784 0.0320 0.3859 11.00000 0.05 0.21 Q3 1 0.4695 0.0718 0.2179 11.00000 0.05 0.19 Q4 1 0.2521 0.0607 0.2380 11.00000 0.05 0.19 Q5 1 0.6855 0.1556 0.4014 11.00000 0.05 0.18 ; _shelx_res_checksum 71109 _shelx_hkl_file ; 0 0 -2 33218.9 623.770 3 0 0 3-9.71575 46.0045 2 0 0 -3 67.4692 64.0419 3 0 0 -3-47.7494 68.3690 2 0 0 4 3839.47 379.353 2 0 0 -4 3687.82 315.413 3 0 0 -4 3717.98 406.270 2 0 0 -5 7.15452 96.1509 2 0 0 5-64.1503 98.4411 2 0 0 -5 33.6887 72.2112 3 0 0 -6 11873.3 907.592 2 0 0 -6 12119.6 708.579 3 0 0 -7-88.8542 114.798 2 0 0 -7 24.6373 104.647 3 0 0 -8 1321.62 365.416 2 0 0 -8 1638.75 297.470 3 0 0 -9 51.0728 91.3250 2 0 0 -9 158.367 88.6689 3 0 0 -10 750.599 228.389 3 0 0 -10 561.367 274.033 2 0 0 -11-196.336 258.257 2 0 0 -11 151.636 135.672 3 0 0 -12 866.441 301.328 3 0 0 -12 497.825 282.246 2 0 0 -13-223.045 166.031 2 0 0 -14 850.947 367.414 2 0 0 -15 311.084 384.494 2 0 0 -16 2361.28 748.426 2 0 1 2 58393.2 1151.99 2 0 -1 2 56356.7 1216.05 2 0 -1 -3 8683.32 542.633 2 0 -1 3 9895.44 584.814 2 0 1 3 9741.92 473.381 3 0 1 3 10813.8 579.017 2 0 1 -3 8690.84 545.155 2 0 1 4 3412.36 399.505 2 0 1 4 3590.92 323.462 3 0 1 -4 3153.72 394.238 2 0 -1 -4 3595.49 410.388 2 0 -1 4 3659.56 435.897 2 0 1 -5 24797.7 1173.39 2 0 1 5 21892.5 921.402 3 0 -1 -5 23145.6 1144.06 2 0 1 -6 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2289.22 536.309 2 2 2 -9 3763.71 220.659 3 2 2 -9 4195.51 693.517 2 2 -2 -9 4009.32 697.067 2 2 2 -8 136.021 224.604 2 2 -2 -8 171.579 144.703 2 -2 2 7 215.932 55.2100 3 2 -2 -7 374.737 250.456 2 2 2 -7 163.459 152.282 2 2 2 -6 2690.61 473.310 2 2 -2 -6 1623.82 362.583 2 2 2 -5 72.6226 119.522 2 2 -2 -5 85.8503 53.4958 2 2 -2 -4 2454.86 374.695 2 2 2 -4 2649.20 401.313 2 -2 2 4 2540.09 346.387 2 -2 -2 3 6.20807 83.0863 2 -2 2 3 21.0480 42.5203 2 2 2 -3 77.6385 89.4717 2 2 2 -2 1842.82 270.671 3 -2 2 2 1681.17 216.528 2 -2 -2 2 1616.46 291.083 2 -2 2 2 1715.81 260.276 1 2 2 -2 1519.36 263.574 2 2 2 -1 1974.81 295.028 4 2 2 -1 1872.85 281.139 2 2 2 -1 2334.94 342.444 3 -2 2 1 1987.50 281.389 1 -2 -2 1 1898.97 330.895 1 -2 -2 1 1798.32 308.564 4 -2 2 1 2173.63 212.893 2 2 2 0 3409.59 415.291 3 -2 -2 0 3496.47 425.993 4 -2 -2 0 2888.18 408.593 1 2 -2 0 3490.03 361.573 1 2 2 0 3327.20 400.167 1 2 -2 0 3041.81 188.184 4 2 2 0 2901.90 349.822 4 2 2 1 908.298 210.309 1 -2 2 -1 934.637 110.606 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2 -14 246.931 201.274 3 -2 2 -14 190.894 197.035 2 -2 2 -15 1342.98 498.950 2 -2 2 -16 247.884 364.716 2 2 3 -16 5.80419 237.314 2 2 3 -15-971.317 459.088 2 2 3 -14 625.662 409.515 2 2 3 -13 756.760 383.407 2 2 3 -12 4013.82 781.835 2 2 3 -11 7916.20 1060.24 2 2 3 -10 9959.85 1118.96 2 2 3 -9-100.105 199.668 2 -2 3 9 20.4058 23.9591 3 2 3 -8 200.278 237.405 2 2 3 -7 806.508 275.257 2 2 3 -6-239.276 155.842 2 2 3 -5 1881.18 386.306 2 2 3 -4 288.181 126.036 2 -2 3 3 442.092 165.432 2 2 3 -3 354.759 152.970 2 2 3 -2 2461.82 372.219 2 -2 3 2 2119.18 284.417 2 -2 3 2 2510.84 293.101 1 -2 -3 1 1222.93 276.433 4 2 -3 -1 1561.22 237.624 1 2 3 -1 1245.86 236.330 2 -2 -3 1 1936.40 333.888 1 -2 3 1 1747.78 244.584 1 2 -3 0 426.135 128.640 1 -2 -3 0 319.265 136.753 1 -2 -3 0 459.889 183.869 4 -2 -3 -1 4058.68 514.355 4 2 -3 1 3597.26 403.974 1 -2 -3 -1 3485.01 459.826 1 -2 3 -1 3397.31 310.867 2 -2 -3 -2 2096.99 366.879 4 -2 3 -2 2455.84 279.703 2 -2 -3 -3 3419.96 485.728 4 2 -3 3 3574.04 375.845 2 -2 3 -3 3171.46 360.932 2 2 -3 4 31.8351 74.8462 2 -2 3 -4 49.3381 56.4727 2 -2 3 -5 5848.26 586.836 2 -2 3 -6 623.294 204.333 2 -2 3 -7 95.6355 59.8965 2 -2 3 -8 155.603 165.049 2 -2 3 -9-148.073 103.117 2 -2 3 -10 544.648 319.442 2 -2 3 -10 1043.94 380.708 3 -2 3 -11 276.049 252.317 3 -2 3 -11 415.777 232.026 2 -2 3 -12 7.60231 123.915 3 -2 3 -12 147.984 154.026 2 -2 3 -13-28.1728 151.613 3 -2 3 -13 200.166 230.302 2 -2 3 -14 527.294 309.189 3 -2 3 -14 116.079 118.374 2 -2 3 -15 339.743 164.047 2 -2 3 -16-418.085 456.056 2 2 4 -15 101.078 287.784 2 2 4 -14 116.499 206.528 2 2 4 -13 893.091 407.698 2 2 4 -12-170.849 179.966 2 2 4 -11 1568.94 488.877 2 2 4 -10 247.219 263.849 2 2 4 -9-69.2139 153.178 2 2 4 -8 51.4276 88.6563 2 2 4 -7 338.081 168.068 2 2 4 -6 1232.08 324.391 2 2 4 -5 5208.53 661.890 2 2 4 -4 351.204 143.047 2 2 4 -3 283.481 181.822 2 -2 4 3 316.561 105.683 1 2 4 -2 2733.71 426.780 2 -2 -4 2 2538.95 418.456 4 -2 4 2 2602.46 287.157 1 -2 -4 1 2408.73 415.460 4 2 4 -1 2741.25 414.688 2 -2 -4 1 2597.70 411.107 1 2 -4 0 21918.0 893.860 1 -2 -4 0 23011.7 1212.28 1 -2 -4 0 20782.2 1245.24 4 -2 -4 -1 783.163 231.175 1 -2 4 -1 827.803 191.297 2 -2 -4 -1 836.154 234.643 4 -2 -4 -2 386.952 172.112 4 -2 4 -2 431.445 118.022 2 -2 -4 -3 1192.67 331.370 4 -2 4 -3 1277.60 254.483 2 -2 -4 -4 312.859 174.196 4 2 -4 4 226.236 142.409 2 -2 4 -4 324.877 169.882 2 -2 4 -5 481.915 176.348 2 -2 4 -6 1704.76 352.946 2 -2 4 -7 238.374 167.479 2 -2 4 -8 13.8392 101.419 2 -2 4 -9 728.708 330.354 2 -2 4 -10 436.503 262.985 2 -2 4 -11-114.346 165.280 2 -2 4 -12 6.77627 118.532 2 -2 4 -12-94.6525 177.537 3 -2 4 -13 388.709 292.278 3 -2 4 -13-142.879 176.162 2 -2 4 -14-82.5146 231.653 3 -2 4 -14 39.2155 141.515 2 -2 4 -15 325.023 375.569 2 -2 4 -16 296.615 164.942 2 2 5 -15 547.094 373.577 2 2 5 -14 458.276 352.921 2 2 5 -13 233.035 301.669 2 2 5 -12 445.901 385.579 2 2 5 -11 34.8637 93.4752 2 2 5 -10 453.999 335.005 2 2 5 -9 143.009 217.313 2 2 5 -8 194.741 188.067 2 2 5 -7 92.9263 164.114 2 2 5 -6 5894.96 792.981 2 2 5 -5 304.428 211.400 2 2 5 -4 1204.11 312.265 2 -2 5 4 1061.07 182.169 1 2 5 -3 300.663 177.237 2 -2 5 3 226.550 87.6229 1 -2 -5 2 561.603 208.835 4 2 5 -2 792.890 254.583 2 -2 -5 1 408.716 211.152 4 2 -5 -1 874.524 141.018 4 -2 -5 1 664.844 218.698 1 2 -5 0 29224.3 1007.73 1 -2 -5 0 29365.0 1584.54 4 -2 -5 0 28098.3 1418.44 1 -2 -5 -1 1468.01 372.540 4 -2 -5 -1 1507.33 332.177 1 -2 5 -2 26148.2 1228.33 2 -2 -5 -2 26714.2 1580.25 4 -2 -5 -3 32.1098 110.641 4 -2 5 -3 231.471 79.0177 4 -2 5 -3 164.379 117.400 2 -2 -5 -4 68.1223 120.674 4 -2 5 -4 204.576 91.1143 2 -2 5 -5 101.476 101.561 2 -2 -5 -5 125.866 166.170 4 -2 5 -6-5.42624 85.4960 2 -2 5 -7 320.829 172.473 2 -2 5 -8 353.421 240.460 2 -2 5 -9-23.4687 77.8586 2 -2 5 -10 0.00000 89.6368 2 -2 5 -11-255.318 208.622 2 -2 5 -12 523.335 237.790 2 -2 5 -13-14.3707 311.066 2 -2 5 -13 398.304 321.084 3 -2 5 -14-222.231 239.301 3 -2 5 -14 23.7397 213.196 2 -2 5 -15-122.605 253.033 2 -2 5 -16 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