data_4pzH-F2 _audit_creation_method 'SHELXL-2018/3' _shelx_SHELXL_version_number '2018/3' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C10 H8 F2 N4' _chemical_formula_sum 'C10 H8 F2 N4' _chemical_formula_weight 222.20 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' 'F' 'F' 0.0171 0.0103 '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' _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 19.826(3) _cell_length_b 3.9279(4) _cell_length_c 13.2624(17) _cell_angle_alpha 90 _cell_angle_beta 109.525(15) _cell_angle_gamma 90 _cell_volume 973.4(2) _cell_formula_units_Z 4 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 2009 _cell_measurement_theta_min 3.2120 _cell_measurement_theta_max 27.3420 _exptl_crystal_description 'tabular needles' _exptl_crystal_colour Yellow _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.516 _exptl_crystal_F_000 456 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.502 _exptl_crystal_size_mid 0.467 _exptl_crystal_size_min 0.080 _exptl_absorpt_coefficient_mu 0.124 _shelx_estimated_absorpt_T_min ? _shelx_estimated_absorpt_T_max ? _exptl_absorpt_correction_type analytical _exptl_absorpt_correction_T_min 0.948 _exptl_absorpt_correction_T_max 0.990 _exptl_absorpt_process_details ; CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_absorpt_special_details ? _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source 'Enhance (Mo) X-ray Source' _diffrn_measurement_device_type 'Agilent Xcalibur 3 E' _diffrn_measurement_method 'omega scans' _diffrn_detector_area_resol_mean 16.0382 _diffrn_reflns_number 5165 _diffrn_reflns_av_unetI/netI 0.0297 _diffrn_reflns_av_R_equivalents 0.0207 _diffrn_reflns_limit_h_min -25 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -4 _diffrn_reflns_limit_k_max 4 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_theta_min 3.072 _diffrn_reflns_theta_max 28.063 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.860 _diffrn_measured_fraction_theta_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.860 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.860 _diffrn_reflns_point_group_measured_fraction_full 0.998 _reflns_number_total 2044 _reflns_number_gt 1675 _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, Rigaku OD' _computing_cell_refinement 'CrysAlisPro, Rigaku OD' _computing_data_reduction 'CrysAlisPro, Rigaku OD' _computing_structure_solution 'SHELXS-2014 (Sheldrick, 2017)' _computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'CIFTAB-2014 (Sheldrick, 2017)' _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^)+(0.0385P)^2^+0.4454P] 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 2044 _refine_ls_number_parameters 146 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0525 _refine_ls_R_factor_gt 0.0403 _refine_ls_wR_factor_ref 0.1004 _refine_ls_wR_factor_gt 0.0927 _refine_ls_goodness_of_fit_ref 1.047 _refine_ls_restrained_S_all 1.047 _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 N1 N 0.22675(7) 0.2845(4) 0.12016(10) 0.0262(3) Uani 1 1 d . . . . . N2 N 0.29200(7) 0.2770(4) 0.17834(10) 0.0258(3) Uani 1 1 d . . . . . C3 C 0.18052(8) 0.1509(4) 0.17275(12) 0.0235(4) Uani 1 1 d . . . . . C4 C 0.11830(9) -0.0170(5) 0.11227(12) 0.0277(4) Uani 1 1 d . . . . . F4 F 0.10718(5) -0.0632(3) 0.00654(7) 0.0413(3) Uani 1 1 d . . . . . C5 C 0.06861(9) -0.1437(5) 0.15384(14) 0.0302(4) Uani 1 1 d . . . . . H5A H 0.027111 -0.258409 0.109484 0.036 Uiso 1 1 calc R U . . . C6 C 0.08051(9) -0.1000(5) 0.26220(14) 0.0303(4) Uani 1 1 d . . . . . H6A H 0.047342 -0.190106 0.292912 0.036 Uiso 1 1 calc R U . . . C7 C 0.14024(9) 0.0735(4) 0.32591(13) 0.0285(4) Uani 1 1 d . . . . . H7A H 0.147939 0.107299 0.399849 0.034 Uiso 1 1 calc R U . . . C8 C 0.18813(8) 0.1957(4) 0.28049(13) 0.0250(4) Uani 1 1 d . . . . . F8 F 0.24406(5) 0.3802(3) 0.34254(7) 0.0350(3) Uani 1 1 d . . . . . C9 C 0.33844(8) 0.4160(4) 0.13021(12) 0.0246(4) Uani 1 1 d . . . . . C10 C 0.32524(8) 0.5808(4) 0.03311(12) 0.0245(4) Uani 1 1 d . . . . . H10A H 0.279705 0.632809 -0.017531 0.029 Uiso 1 1 calc R U . . . N11 N 0.38886(7) 0.6521(4) 0.02459(10) 0.0248(3) Uani 1 1 d . . . . . N12 N 0.44449(7) 0.5464(4) 0.11155(11) 0.0304(4) Uani 1 1 d . . . . . C13 C 0.41333(9) 0.4046(5) 0.17520(13) 0.0298(4) Uani 1 1 d . . . . . H13A H 0.438528 0.307234 0.242919 0.036 Uiso 1 1 calc R U . . . C14 C 0.40371(9) 0.8121(5) -0.06488(14) 0.0337(4) Uani 1 1 d . . . . . H14A H 0.359924 0.816216 -0.127413 0.051 Uiso 1 1 calc R U . . . H14B H 0.440714 0.682143 -0.081893 0.051 Uiso 1 1 calc R U . . . H14C H 0.420475 1.045567 -0.045508 0.051 Uiso 1 1 calc R U . . . 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 N1 0.0237(7) 0.0307(8) 0.0255(7) 0.0011(6) 0.0100(6) 0.0003(6) N2 0.0232(7) 0.0292(8) 0.0267(7) 0.0007(6) 0.0103(6) 0.0030(6) C3 0.0215(8) 0.0255(9) 0.0251(8) 0.0048(6) 0.0100(6) 0.0042(6) C4 0.0264(9) 0.0340(10) 0.0226(8) 0.0018(7) 0.0079(7) 0.0043(7) F4 0.0373(6) 0.0620(8) 0.0230(5) -0.0045(5) 0.0079(4) -0.0089(5) C5 0.0223(8) 0.0316(10) 0.0352(9) 0.0011(7) 0.0077(7) 0.0001(7) C6 0.0267(9) 0.0325(10) 0.0368(10) 0.0062(8) 0.0172(8) 0.0029(7) C7 0.0322(9) 0.0308(10) 0.0262(8) 0.0035(7) 0.0148(7) 0.0063(7) C8 0.0245(8) 0.0246(9) 0.0251(8) 0.0008(7) 0.0071(7) 0.0023(7) F8 0.0329(6) 0.0437(7) 0.0286(5) -0.0070(4) 0.0104(4) -0.0086(5) C9 0.0228(8) 0.0277(9) 0.0245(8) -0.0027(7) 0.0096(7) 0.0005(7) C10 0.0193(8) 0.0275(9) 0.0263(8) -0.0019(7) 0.0072(6) 0.0008(7) N11 0.0220(7) 0.0289(8) 0.0253(7) -0.0012(6) 0.0101(6) 0.0009(6) N12 0.0209(7) 0.0396(9) 0.0298(8) -0.0010(6) 0.0074(6) 0.0029(6) C13 0.0253(9) 0.0388(11) 0.0251(8) 0.0009(7) 0.0080(7) 0.0043(8) C14 0.0327(9) 0.0372(11) 0.0374(10) 0.0050(8) 0.0199(8) 0.0019(8) _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 N1 N2 1.2658(18) . ? N1 C3 1.425(2) . ? N2 C9 1.395(2) . ? C3 C4 1.392(2) . ? C3 C8 1.397(2) . ? C4 F4 1.3569(18) . ? C4 C5 1.373(2) . ? C5 C6 1.387(2) . ? C6 C7 1.383(2) . ? C7 C8 1.370(2) . ? C8 F8 1.3497(18) . ? C9 C10 1.386(2) . ? C9 C13 1.404(2) . ? C10 N11 1.333(2) . ? N11 N12 1.3669(19) . ? N11 C14 1.457(2) . ? N12 C13 1.324(2) . ? 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 N2 N1 C3 112.75(13) . . ? N1 N2 C9 114.10(13) . . ? C4 C3 C8 114.90(14) . . ? C4 C3 N1 118.92(14) . . ? C8 C3 N1 125.95(15) . . ? F4 C4 C5 118.42(15) . . ? F4 C4 C3 117.73(15) . . ? C5 C4 C3 123.84(15) . . ? C4 C5 C6 118.35(16) . . ? C7 C6 C5 120.56(16) . . ? C8 C7 C6 118.81(15) . . ? F8 C8 C7 117.96(14) . . ? F8 C8 C3 118.51(14) . . ? C7 C8 C3 123.48(15) . . ? C10 C9 N2 131.25(14) . . ? C10 C9 C13 104.75(14) . . ? N2 C9 C13 123.99(14) . . ? N11 C10 C9 106.65(14) . . ? C10 N11 N12 112.60(14) . . ? C10 N11 C14 127.88(14) . . ? N12 N11 C14 119.49(13) . . ? C13 N12 N11 104.40(13) . . ? N12 C13 C9 111.60(14) . . ? _refine_diff_density_max 0.210 _refine_diff_density_min -0.197 _refine_diff_density_rms 0.043 _shelx_res_file ; TITL MF1918 in P2(1)/c MF1918.res created by SHELXL-2018/3 at 14:00:11 on 22-Aug-2019 REM P2(1)/c (#14 in standard setting) REM 4pzH-F2 CELL 0.71073 19.826338 3.927941 13.262376 90.0000 109.5249 90.0000 ZERR 4.00 0.003017 0.000427 0.001652 0.0000 0.0151 0.0000 LATT 1 SYMM -x, y+1/2,-z+1/2 SFAC C H F N UNIT 40 32 8 16 TEMP -100 L.S. 6 FMAP 2 PLAN 10 ACTA WGHT 0.038500 0.445400 FVAR 8.73416 N1 4 0.226754 0.284477 0.120160 11.00000 0.02366 0.03066 = 0.02554 0.00112 0.01000 0.00035 N2 4 0.292000 0.277010 0.178335 11.00000 0.02315 0.02918 = 0.02668 0.00072 0.01034 0.00299 C3 1 0.180520 0.150855 0.172751 11.00000 0.02152 0.02550 = 0.02514 0.00478 0.01001 0.00417 C4 1 0.118305 -0.017046 0.112274 11.00000 0.02638 0.03397 = 0.02263 0.00177 0.00795 0.00425 F4 3 0.107184 -0.063192 0.006538 11.00000 0.03732 0.06198 = 0.02301 -0.00446 0.00793 -0.00887 C5 1 0.068612 -0.143712 0.153840 11.00000 0.02228 0.03163 = 0.03523 0.00112 0.00774 0.00011 AFIX 43 H5A 2 0.027111 -0.258409 0.109484 11.00000 -1.20000 AFIX 0 C6 1 0.080510 -0.100045 0.262201 11.00000 0.02666 0.03252 = 0.03680 0.00624 0.01718 0.00287 AFIX 43 H6A 2 0.047342 -0.190106 0.292912 11.00000 -1.20000 AFIX 0 C7 1 0.140244 0.073474 0.325910 11.00000 0.03222 0.03079 = 0.02617 0.00348 0.01480 0.00628 AFIX 43 H7A 2 0.147939 0.107299 0.399849 11.00000 -1.20000 AFIX 0 C8 1 0.188132 0.195744 0.280493 11.00000 0.02448 0.02455 = 0.02512 0.00077 0.00711 0.00230 F8 3 0.244059 0.380200 0.342542 11.00000 0.03291 0.04369 = 0.02857 -0.00700 0.01045 -0.00864 C9 1 0.338445 0.416044 0.130210 11.00000 0.02280 0.02771 = 0.02453 -0.00272 0.00960 0.00054 C10 1 0.325236 0.580781 0.033113 11.00000 0.01932 0.02750 = 0.02628 -0.00187 0.00723 0.00078 AFIX 43 H10A 2 0.279705 0.632809 -0.017531 11.00000 -1.20000 AFIX 0 N11 4 0.388860 0.652060 0.024593 11.00000 0.02198 0.02894 = 0.02529 -0.00124 0.01012 0.00092 N12 4 0.444492 0.546420 0.111549 11.00000 0.02087 0.03959 = 0.02982 -0.00103 0.00744 0.00292 C13 1 0.413331 0.404616 0.175204 11.00000 0.02528 0.03881 = 0.02512 0.00085 0.00804 0.00429 AFIX 43 H13A 2 0.438528 0.307234 0.242919 11.00000 -1.20000 AFIX 0 C14 1 0.403709 0.812099 -0.064880 11.00000 0.03266 0.03720 = 0.03739 0.00498 0.01991 0.00187 AFIX 137 H14A 2 0.359924 0.816216 -0.127413 11.00000 -1.50000 H14B 2 0.440714 0.682143 -0.081893 11.00000 -1.50000 H14C 2 0.420475 1.045567 -0.045508 11.00000 -1.50000 AFIX 0 HKLF 4 REM MF1918 in P2(1)/c REM wR2 = 0.1004, GooF = S = 1.047, Restrained GooF = 1.047 for all data REM R1 = 0.0403 for 1675 Fo > 4sig(Fo) and 0.0525 for all 2044 data REM 146 parameters refined using 0 restraints END WGHT 0.0386 0.4458 REM Highest difference peak 0.210, deepest hole -0.197, 1-sigma level 0.043 Q1 1 0.3658 0.9897 -0.0965 11.00000 0.05 0.21 Q2 1 0.1867 0.1336 0.2262 11.00000 0.05 0.19 Q3 1 0.1428 0.1901 0.1371 11.00000 0.05 0.18 Q4 1 0.3775 0.6344 -0.1328 11.00000 0.05 0.17 Q5 1 0.1657 -0.0155 0.1593 11.00000 0.05 0.17 Q6 1 0.3218 0.3832 0.1538 11.00000 0.05 0.17 Q7 1 0.3295 0.3987 0.0710 11.00000 0.05 0.17 Q8 1 0.1708 0.0096 0.3031 11.00000 0.05 0.16 Q9 1 0.2029 0.2157 0.1549 11.00000 0.05 0.15 Q10 1 0.4524 0.8792 -0.0574 11.00000 0.05 0.15 ; _shelx_res_checksum 76193 _shelx_hkl_file ; 0 0 -2 9472.10 328.938 3 0 0 -3 150.460 51.5445 2 0 0 3 177.027 56.8227 2 0 0 -3 54.6586 78.6854 3 0 0 4 131966. 1160.58 2 0 0 -4 132463. 1739.78 3 0 0 -4 132117. 1160.89 2 0 0 -5-72.4054 93.7400 3 0 0 5 4.28190 48.9176 2 0 0 -5-17.4503 46.1495 2 0 0 -6 363479. 2340.74 2 0 0 -6 366676. 3583.08 3 0 0 6 364924. 2324.35 2 0 0 7 131.338 81.7370 2 0 0 -7-12.1774 99.1535 3 0 0 7 182.074 74.8064 1 0 0 -7 277.695 87.2563 2 0 0 8 41430.8 781.250 1 0 0 -8 38629.1 872.109 2 0 0 -8 39952.0 1409.19 3 0 0 -9 52.4118 53.5949 2 0 0 -9 198.062 158.797 3 0 0 9 68.2254 68.1997 1 0 0 -10 73.1801 70.4517 2 0 0 10 147.632 66.4301 1 0 0 -10-16.9991 154.708 3 0 0 11-2.35640 39.9408 1 0 0 -11 101.778 169.405 3 0 0 -12 6824.95 761.815 3 0 0 -13 102.215 174.240 3 0 0 -14 12160.0 1097.15 3 0 0 -15 113.441 215.684 3 0 -1 0 84.2662 81.2076 2 0 -1 0-7.83684 75.7136 1 0 -1 1 4395.53 303.716 2 0 -1 -1 4263.25 279.926 1 0 1 1 4488.58 292.795 1 0 -1 1 4377.42 307.872 1 0 -1 2 23508.7 380.657 3 0 -1 2 25062.2 730.943 2 0 1 2 24089.5 642.009 1 0 -1 -2 25038.7 639.763 1 0 1 -2 25073.1 732.097 2 0 1 -2 24987.8 383.772 3 0 -1 -3 23148.0 608.418 1 0 1 -3 23882.9 526.622 3 0 1 3 24065.6 628.254 1 0 -1 3 23572.3 742.426 2 0 1 -3 21986.6 728.939 2 0 -1 4 4625.68 350.882 2 0 -1 -4 5200.62 284.580 1 0 1 -4 4616.84 356.318 2 0 1 4 4867.66 282.423 1 0 -1 -4 4693.46 387.936 3 0 1 -4 4523.14 284.200 3 0 1 5 1350.25 152.680 1 0 -1 -5 1520.35 155.995 1 0 1 -5 1363.72 180.454 3 0 1 -5 1181.01 194.625 2 0 -1 -5 1342.26 244.865 3 0 -1 5 1376.74 214.356 2 0 -1 -6 7634.34 344.836 1 0 -1 6 6978.20 459.006 2 0 1 -6 7346.02 470.523 2 0 1 6 7206.52 330.150 1 0 1 -6 7330.16 469.103 3 0 -1 -6 7188.35 557.041 3 0 -1 -7 26914.1 691.778 2 0 1 -7 27690.3 988.094 3 0 1 -7 26707.4 928.362 2 0 1 7 27731.4 639.663 1 0 -1 7 26935.6 931.188 2 0 -1 -7 29308.5 1194.79 3 0 -1 -7 26845.5 629.136 1 0 -1 -8 11996.2 820.455 3 0 1 -8 13151.6 672.756 2 0 1 -8 11928.4 705.263 3 0 -1 -8 12887.1 484.265 2 0 1 8 11087.3 390.060 1 0 -1 8 13145.7 672.844 2 0 -1 -9 1399.36 170.052 2 0 -1 9 1121.27 222.067 2 0 -1 -9 1349.64 305.681 3 0 1 9 1335.67 133.381 1 0 1 -9 1414.46 243.478 2 0 1 -9 1248.69 260.780 3 0 -1 10 17960.8 802.693 1 0 -1 -10 18002.0 1147.38 3 0 -1 10 19051.7 857.635 2 0 1 -10 16660.8 976.793 3 0 -1 -10 18005.9 577.794 2 0 1 -10 18008.1 852.147 2 0 -1 -11 7282.34 774.055 3 0 1 -11 7755.70 710.138 3 0 -1 11 8373.10 595.374 2 0 -1 -12 105.098 195.188 3 0 -1 12 285.623 147.099 2 0 1 -12-210.497 220.660 3 0 -1 -13 18022.3 1344.17 3 0 1 -13 18603.3 1229.40 3 0 1 -14 12719.0 1081.56 3 0 -1 -14 13207.4 1189.37 3 0 1 -15 3710.36 635.363 3 0 -2 0 1144.13 225.965 1 0 -2 0 1003.16 209.684 2 0 -2 -1 46553.3 1326.94 1 0 -2 -1 45985.1 1319.62 2 0 -2 1 47764.5 1370.32 2 0 -2 1 48351.7 1385.12 1 0 -2 -2 26681.1 981.417 2 0 -2 -2 26811.5 824.425 3 0 -2 2 27189.9 1062.50 2 0 -2 2 28550.6 1094.51 1 0 -2 -2 28100.1 1007.97 1 0 -2 -3 4983.04 418.730 1 0 -2 3 4472.41 442.815 2 0 -2 -3 3852.06 355.828 3 0 -2 -4 21.0294 90.4712 3 0 -2 -4 168.145 110.911 1 0 2 -4 5.45774 35.7066 3 0 -2 -5 80390.2 1626.63 1 0 2 -5 80022.5 1106.19 3 0 2 -6 1356.97 170.487 3 0 -2 -6 1190.88 271.581 3 0 -2 6 989.649 242.120 2 0 -2 -6 1233.07 202.980 1 0 2 -7 6756.52 432.215 3 0 -2 7 5980.14 557.144 2 0 -2 -7 5546.73 567.710 3 0 -2 -7 6826.46 466.183 1 0 2 -8 16597.0 759.492 3 0 -2 -8 17765.2 746.540 1 0 -2 -8 16631.6 1043.24 3 0 -2 8 17945.9 982.076 2 0 2 -9 7417.55 550.161 3 0 -2 -9 6900.58 717.915 3 0 -2 9 7789.50 664.611 2 0 -2 -10 3381.10 501.005 3 0 2 -10 3365.14 400.649 3 0 -2 10 3505.70 470.114 2 0 2 -11 8563.21 694.675 3 0 -2 11 9577.44 772.436 2 0 -2 -11 9602.15 943.818 3 0 -2 12 249.029 169.518 2 0 2 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5962.65 751.787 1 -19 -2 -1 1162.89 327.311 1 -19 -2 -1 685.497 322.472 3 -19 2 -1 707.145 271.455 1 -19 2 -2 433.373 270.790 1 -19 -2 -2 201.632 299.480 3 -19 2 -3 544.053 200.222 1 -19 -2 -3 1417.20 410.752 3 -19 -3 6 882.459 356.261 2 -19 -3 5-148.529 186.860 2 -19 -3 4 3846.05 645.645 2 -19 -3 3 1129.21 392.641 2 -19 -3 2 4948.99 699.683 2 -19 -3 -2 439.047 323.426 3 -20 0 13 144.376 256.884 1 -20 0 12 221.827 182.393 1 -20 0 11-121.459 213.817 1 -20 0 10 318.286 224.351 1 -20 0 9-56.2593 172.494 1 -20 0 8 5478.68 741.361 1 -20 0 7 146.748 214.299 1 -20 0 6 5141.31 702.354 1 -20 0 5 70.3358 148.485 1 -20 0 4 9956.18 911.568 1 -20 0 3 226.763 197.949 1 -20 0 2 2669.45 496.401 1 -20 0 1 58.9053 217.564 1 -20 0 0 808.128 299.629 1 -20 0 -1 12.8390 162.447 1 -20 0 -2 76.6100 189.958 3 -20 0 -2 305.735 176.973 1 -20 0 -3 576.937 334.914 3 -20 1 12 333.314 232.852 1 -20 -1 12 84.9702 169.752 1 -20 1 11 1890.32 465.766 1 -20 -1 11 2387.67 537.886 1 -20 1 10 3807.19 646.896 1 -20 -1 10 2870.72 575.400 1 -20 1 9 6348.49 808.295 1 -20 -1 9 5102.61 735.134 1 -20 1 8 805.050 308.033 1 -20 -1 8 359.249 258.424 1 -20 1 7 3809.71 627.936 1 -20 -1 7 3824.16 633.448 1 -20 -1 6 15547.5 1203.28 1 -20 1 6 14676.8 1170.43 1 -20 1 5-6.90722 169.767 1 -20 -1 5 1005.73 337.368 1 -20 1 4-41.0741 152.528 1 -20 -1 4 715.843 347.836 1 -20 -1 3 39937.9 1826.72 1 -20 1 3 40288.7 1849.89 1 -20 -1 2 12178.1 987.875 1 -20 1 2 11565.0 994.704 1 -20 -1 1 1206.52 353.489 1 -20 1 1 1362.25 397.893 1 -20 -1 0 12995.2 997.169 1 -20 1 0 14619.5 1092.74 1 -20 -1 -1 227.530 126.060 1 -20 1 -1-77.5680 215.988 1 -20 -1 -1 418.964 314.972 3 -20 1 -2 662.945 248.464 1 -20 -1 -2 1053.50 335.523 3 -20 -1 -3 216.417 232.252 3 -20 -2 9 1401.08 437.600 2 -20 2 9 1821.85 509.671 1 -20 -2 8 15034.6 1260.26 2 -20 2 8 16183.1 1311.94 1 -20 -2 7 1373.14 355.522 2 -20 2 7 2321.21 515.364 1 -20 -2 6 1840.03 467.032 2 -20 2 6 1997.18 505.947 1 -20 -2 5 6768.31 825.046 1 -20 -2 5 6097.96 763.524 2 -20 2 5 7029.35 850.852 1 -20 -2 4 3892.56 612.435 2 -20 2 4 4744.75 701.790 1 -20 -2 4 4623.26 681.476 1 -20 2 3 274.451 149.226 1 -20 -2 3 429.368 257.969 1 -20 -2 2 2501.58 509.744 1 -20 2 2 2485.94 522.387 1 -20 -2 1 9301.94 906.852 1 -20 2 1 10022.6 984.860 1 -20 -2 0-55.2472 177.363 1 -20 2 0 41.4530 193.026 1 -20 -2 -1 2936.65 558.160 3 -20 2 -1 2997.61 530.634 1 -20 2 -2 1298.35 402.172 1 -20 -2 -2 1179.14 374.038 3 -20 -3 4-456.379 272.294 2 -20 -3 3 157.027 175.847 2 -20 -3 2 657.540 270.903 2 -21 0 12 133.943 313.462 1 -21 0 11-24.9020 207.716 1 -21 0 10 6926.34 853.010 1 -21 0 9 204.292 278.923 1 -21 0 8 7217.17 860.498 1 -21 0 7-15.2291 210.900 1 -21 0 6 19303.7 1350.71 1 -21 0 5-28.1956 203.530 1 -21 0 4 5147.55 686.972 1 -21 0 3 499.356 271.065 1 -21 0 2 3824.57 576.967 1 -21 0 1 182.143 149.166 1 -21 0 0 2881.74 502.523 1 -21 0 -1 228.235 178.730 1 -21 1 11 1766.86 479.922 1 -21 1 10 1493.47 434.194 1 -21 -1 10 2167.69 524.819 1 -21 1 9 533.022 276.082 1 -21 -1 9 460.869 274.551 1 -21 1 8 2313.47 520.756 1 -21 -1 8 1490.92 427.501 1 -21 1 7 1931.83 469.810 1 -21 -1 7 2271.84 511.988 1 -21 1 6 2395.89 503.291 1 -21 -1 6 3515.55 609.326 1 -21 1 5 1061.41 344.198 1 -21 -1 5 948.103 327.403 1 -21 1 4 2879.13 556.809 1 -21 -1 4 3592.99 604.558 1 -21 -1 3 377.224 266.529 1 -21 1 3 535.028 267.448 1 -21 -1 2 2258.90 475.416 1 -21 1 2 2492.22 505.809 1 -21 -1 1 16006.3 1151.86 1 -21 1 1 16235.3 1187.88 1 -21 -1 0 3368.99 521.146 1 -21 1 0 3251.35 550.043 1 -21 1 -1-221.293 233.458 1 -21 -2 8 4485.40 701.259 2 -21 -2 7 1525.36 450.698 2 -21 2 7 1498.02 437.237 1 -21 -2 7 1719.01 498.366 1 -21 2 6 4687.57 729.395 1 -21 -2 6 3696.23 650.313 1 -21 2 5 1895.28 463.182 1 -21 -2 5 2652.12 564.846 1 -21 2 4 519.685 285.783 1 -21 -2 4 429.161 225.176 1 -21 2 3 370.369 265.128 1 -21 -2 3 369.748 220.545 1 -21 -2 2 7195.44 831.995 1 -21 2 2 6573.76 843.563 1 -21 -2 1 2015.82 477.311 1 -21 2 1 1597.95 444.528 1 -21 2 0 1036.24 359.861 1 -21 2 -1 549.980 315.802 1 -21 2 -2 320.561 300.776 1 -21 -3 3 301.722 260.531 2 -22 0 10 241.277 237.948 1 -22 0 9 33.4127 215.906 1 -22 0 8 3386.06 613.768 1 -22 0 7 249.135 283.404 1 -22 0 6 549.630 298.291 1 -22 0 5-69.6919 202.940 1 -22 0 4 2331.13 513.344 1 -22 0 3 56.2404 174.921 1 -22 0 2 8105.58 852.448 1 -22 0 1 234.201 154.368 1 -22 0 0 366.979 214.148 1 -22 1 9 989.266 368.962 1 -22 -1 9 1386.86 384.173 1 -22 -1 8 7244.04 923.367 1 -22 1 8 5620.70 790.096 1 -22 1 7 2149.60 506.572 1 -22 -1 7 3266.07 610.897 1 -22 1 6 59.4280 250.264 1 -22 -1 6 106.720 202.132 1 -22 1 5 18.1694 171.669 1 -22 -1 5-35.6650 181.295 1 -22 1 4 1103.06 358.032 1 -22 -1 4 788.069 337.927 1 -22 1 3 4480.05 660.258 1 -22 -1 3 4625.83 684.184 1 -22 -1 2 17827.8 1284.83 1 -22 1 2 15373.0 1202.43 1 -22 1 1 5256.33 707.886 1 -22 -1 1 5793.02 722.750 1 -22 -1 0 7570.72 799.809 1 -22 1 0 9851.66 952.999 1 -22 1 -1-64.4188 168.969 1 -22 -2 6 15167.2 1310.27 1 -22 -2 5 2501.24 547.555 1 -22 -2 4 834.764 362.854 1 -22 -2 3 313.907 247.393 1 -22 2 2 2666.40 545.745 1 -22 -2 2 3024.13 573.489 1 -22 -2 1 10919.3 1029.45 1 -22 2 1 10251.5 1053.84 1 -22 2 0 850.966 334.104 1 -22 2 -1 4408.98 679.658 1 -23 0 8 21.9143 186.353 1 -23 0 7 71.4429 238.900 1 -23 0 6 20165.3 1456.16 1 -23 0 5 7.13027 193.183 1 -23 0 4 865.008 323.383 1 -23 0 3 166.054 166.930 1 -23 0 2 1199.82 343.971 1 -23 0 1-81.1385 175.123 1 -23 0 0 7312.09 810.829 1 -23 1 7 3542.25 648.088 1 -23 -1 7 2495.89 574.237 1 -23 1 6 501.347 266.904 1 -23 -1 6 84.3332 217.399 1 -23 1 5 2394.07 525.450 1 -23 -1 5 2183.09 511.217 1 -23 1 4 3254.17 585.573 1 -23 -1 4 1836.40 438.193 1 -23 -1 3 2229.56 509.575 1 -23 1 3 2395.44 487.569 1 -23 1 2 6186.10 813.558 1 -23 -1 2 4158.90 649.250 1 -23 -1 1 1140.59 348.634 1 -23 1 1 850.780 347.793 1 -23 1 0-194.200 217.128 1 -23 -2 3 1765.35 468.589 1 -23 -2 2 3390.32 626.495 1 -24 0 6 959.601 385.743 1 -24 0 5-837.527 331.572 1 -24 0 4 1258.00 430.646 1 -24 0 3-84.5842 242.935 1 -24 0 2 3639.33 620.594 1 -24 0 1-283.809 273.627 1 -24 -1 5 3755.71 667.882 1 -24 -1 4 96.8074 232.246 1 -24 1 3-242.369 217.363 1 -24 -1 3-145.911 232.687 1 -24 1 2 468.696 287.346 1 -24 -1 2 909.874 333.716 1 -24 1 1-165.839 185.541 1 -24 1 0 3382.41 593.417 1 -25 0 3-71.5865 213.152 1 -25 0 2 860.653 322.682 1 -25 0 1-274.843 268.815 1 -25 -1 2 2317.87 507.555 1 0 0 0 0.00 0.00 0 TITL MF1918 in P2(1)/c REM P2(1)/c (#14 in standard setting) CELL 0.71073 19.826338 3.927941 13.262376 90.0000 109.5249 90.0000 ZERR 4.00 0.003017 0.000427 0.001652 0.0000 0.0151 0.0000 LATT 1 SYMM -x, y+1/2,-z+1/2 SFAC C H N F UNIT 40.00 32.00 16.00 8.00 TREF HKLF 4 END ; _shelx_hkl_checksum 38192 #===END data_4pzMe-F2 _audit_creation_method 'SHELXL-2018/3' _shelx_SHELXL_version_number '2018/3' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C12 H12 F2 N4' _chemical_formula_sum 'C12 H12 F2 N4' _chemical_formula_weight 250.26 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' 'F' 'F' 0.0171 0.0103 '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' _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 9.8817(7) _cell_length_b 16.6285(11) _cell_length_c 7.5309(5) _cell_angle_alpha 90 _cell_angle_beta 103.152(7) _cell_angle_gamma 90 _cell_volume 1205.00(15) _cell_formula_units_Z 4 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 1158 _cell_measurement_theta_min 3.1010 _cell_measurement_theta_max 27.4740 _exptl_crystal_description 'blocky needles' _exptl_crystal_colour Orange _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.379 _exptl_crystal_F_000 520 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.668 _exptl_crystal_size_mid 0.298 _exptl_crystal_size_min 0.167 _exptl_absorpt_coefficient_mu 0.109 _shelx_estimated_absorpt_T_min ? _shelx_estimated_absorpt_T_max ? _exptl_absorpt_correction_type analytical _exptl_absorpt_correction_T_min 0.964 _exptl_absorpt_correction_T_max 0.983 _exptl_absorpt_process_details ; CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_absorpt_special_details ? _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source 'Enhance (Mo) X-ray Source' _diffrn_measurement_device_type 'Agilent Xcalibur 3 E' _diffrn_measurement_method 'omega scans' _diffrn_detector_area_resol_mean 16.0382 _diffrn_reflns_number 4183 _diffrn_reflns_av_unetI/netI 0.0407 _diffrn_reflns_av_R_equivalents 0.0200 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_l_min -9 _diffrn_reflns_limit_l_max 9 _diffrn_reflns_theta_min 2.445 _diffrn_reflns_theta_max 28.061 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.826 _diffrn_measured_fraction_theta_full 0.990 _diffrn_reflns_Laue_measured_fraction_max 0.826 _diffrn_reflns_Laue_measured_fraction_full 0.990 _diffrn_reflns_point_group_measured_fraction_max 0.826 _diffrn_reflns_point_group_measured_fraction_full 0.990 _reflns_number_total 2408 _reflns_number_gt 1835 _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, Rigaku OD' _computing_cell_refinement 'CrysAlisPro, Rigaku OD' _computing_data_reduction 'CrysAlisPro, Rigaku OD' _computing_structure_solution 'SHELXS-2014 (Sheldrick, 2017)' _computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'CIFTAB-2014 (Sheldrick, 2017)' _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^)+(0.0403P)^2^+0.4382P] 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 'SHELXL-2018/3 (Sheldrick 2018)' _refine_ls_extinction_coef 0.010(2) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 2408 _refine_ls_number_parameters 167 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0626 _refine_ls_R_factor_gt 0.0439 _refine_ls_wR_factor_ref 0.1118 _refine_ls_wR_factor_gt 0.0995 _refine_ls_goodness_of_fit_ref 1.052 _refine_ls_restrained_S_all 1.052 _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 N1 N 0.27191(14) 0.19867(9) 0.51824(19) 0.0270(4) Uani 1 1 d . . . . . N2 N 0.25252(14) 0.12481(9) 0.48267(19) 0.0264(4) Uani 1 1 d . . . . . C3 C 0.40108(16) 0.21876(11) 0.6357(2) 0.0246(4) Uani 1 1 d . . . . . C4 C 0.42810(17) 0.30073(12) 0.6572(2) 0.0286(4) Uani 1 1 d . . . . . F4 F 0.33159(12) 0.35226(7) 0.56552(15) 0.0428(3) Uani 1 1 d . . . . . C5 C 0.54769(19) 0.33288(13) 0.7644(3) 0.0356(5) Uani 1 1 d . . . . . H5A H 0.561506 0.389398 0.773898 0.043 Uiso 1 1 calc R U . . . C6 C 0.64692(19) 0.28000(13) 0.8577(3) 0.0360(5) Uani 1 1 d . . . . . H6A H 0.730761 0.300421 0.931737 0.043 Uiso 1 1 calc R U . . . C7 C 0.62563(18) 0.19788(13) 0.8445(2) 0.0339(5) Uani 1 1 d . . . . . H7A H 0.693671 0.162032 0.910533 0.041 Uiso 1 1 calc R U . . . C8 C 0.50487(18) 0.16844(12) 0.7347(2) 0.0302(4) Uani 1 1 d . . . . . F8 F 0.48741(12) 0.08836(7) 0.72645(17) 0.0514(4) Uani 1 1 d . . . . . C9 C 0.12364(17) 0.10800(10) 0.3666(2) 0.0234(4) Uani 1 1 d . . . . . C10 C 0.08151(17) 0.02949(11) 0.3218(2) 0.0260(4) Uani 1 1 d . . . . . N11 N -0.04572(15) 0.03496(9) 0.21014(19) 0.0270(3) Uani 1 1 d . . . . . N12 N -0.08867(15) 0.11336(9) 0.17772(19) 0.0276(4) Uani 1 1 d . . . . . C13 C 0.01408(17) 0.15814(10) 0.2722(2) 0.0228(4) Uani 1 1 d . . . . . C14 C 0.1544(2) -0.04780(11) 0.3761(3) 0.0360(5) Uani 1 1 d . . . . . H14A H 0.102334 -0.079413 0.447914 0.054 Uiso 1 1 calc R U . . . H14B H 0.247997 -0.036999 0.449616 0.054 Uiso 1 1 calc R U . . . H14C H 0.161135 -0.078013 0.266716 0.054 Uiso 1 1 calc R U . . . C15 C -0.1395(2) -0.02974(12) 0.1333(3) 0.0351(5) Uani 1 1 d . . . . . H15A H -0.183393 -0.051526 0.227368 0.053 Uiso 1 1 calc R U . . . H15B H -0.087202 -0.072374 0.088957 0.053 Uiso 1 1 calc R U . . . H15C H -0.211342 -0.008981 0.031787 0.053 Uiso 1 1 calc R U . . . C16 C 0.00325(19) 0.24772(11) 0.2656(2) 0.0289(4) Uani 1 1 d . . . . . H16A H 0.080313 0.270013 0.219260 0.043 Uiso 1 1 calc R U . . . H16B H 0.007515 0.268514 0.388561 0.043 Uiso 1 1 calc R U . . . H16C H -0.085194 0.263426 0.184816 0.043 Uiso 1 1 calc R U . . . 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 N1 0.0224(7) 0.0288(8) 0.0277(8) -0.0008(7) 0.0012(6) -0.0009(7) N2 0.0228(7) 0.0285(8) 0.0264(8) 0.0006(6) 0.0026(6) -0.0004(6) C3 0.0198(8) 0.0314(10) 0.0221(8) -0.0012(7) 0.0034(7) -0.0006(8) C4 0.0248(9) 0.0326(10) 0.0268(9) 0.0014(8) 0.0028(8) 0.0021(8) F4 0.0392(6) 0.0303(6) 0.0502(7) 0.0030(5) -0.0078(5) 0.0038(5) C5 0.0343(10) 0.0367(11) 0.0343(10) -0.0048(9) 0.0047(9) -0.0085(9) C6 0.0249(9) 0.0523(13) 0.0286(10) -0.0065(9) 0.0018(8) -0.0066(9) C7 0.0232(9) 0.0479(12) 0.0285(10) 0.0010(9) 0.0014(8) 0.0078(9) C8 0.0285(9) 0.0307(10) 0.0301(10) -0.0005(8) 0.0038(8) 0.0041(8) F8 0.0453(7) 0.0323(7) 0.0644(8) 0.0027(6) -0.0131(6) 0.0074(6) C9 0.0218(8) 0.0239(9) 0.0241(8) 0.0012(7) 0.0046(7) -0.0005(7) C10 0.0271(9) 0.0253(9) 0.0260(9) 0.0009(7) 0.0070(8) 0.0011(8) N11 0.0290(8) 0.0220(8) 0.0287(8) -0.0010(6) 0.0037(6) -0.0034(7) N12 0.0272(8) 0.0251(8) 0.0281(8) 0.0014(6) 0.0016(6) -0.0013(7) C13 0.0225(8) 0.0243(9) 0.0215(8) 0.0009(7) 0.0046(7) -0.0026(7) C14 0.0391(10) 0.0247(10) 0.0441(11) 0.0028(9) 0.0097(9) 0.0058(9) C15 0.0382(10) 0.0293(10) 0.0355(10) -0.0042(9) 0.0036(9) -0.0111(9) C16 0.0312(9) 0.0232(9) 0.0298(9) 0.0031(7) 0.0018(8) 0.0001(8) _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 N1 N2 1.262(2) . ? N1 C3 1.417(2) . ? N2 C9 1.399(2) . ? C3 C4 1.391(3) . ? C3 C8 1.400(2) . ? C4 F4 1.349(2) . ? C4 C5 1.378(2) . ? C5 C6 1.384(3) . ? C6 C7 1.382(3) . ? C7 C8 1.378(3) . ? C8 F8 1.342(2) . ? C9 C10 1.388(2) . ? C9 C13 1.422(2) . ? C10 N11 1.347(2) . ? C10 C14 1.485(2) . ? N11 N12 1.376(2) . ? N11 C15 1.452(2) . ? N12 C13 1.328(2) . ? C13 C16 1.494(2) . ? 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 N2 N1 C3 115.69(15) . . ? N1 N2 C9 113.56(15) . . ? C4 C3 C8 115.18(16) . . ? C4 C3 N1 115.17(16) . . ? C8 C3 N1 129.64(17) . . ? F4 C4 C5 117.72(17) . . ? F4 C4 C3 117.91(15) . . ? C5 C4 C3 124.37(17) . . ? C4 C5 C6 117.71(19) . . ? C7 C6 C5 120.85(18) . . ? C8 C7 C6 119.42(18) . . ? F8 C8 C7 117.71(17) . . ? F8 C8 C3 119.81(16) . . ? C7 C8 C3 122.47(18) . . ? C10 C9 N2 121.32(16) . . ? C10 C9 C13 106.12(15) . . ? N2 C9 C13 132.56(16) . . ? N11 C10 C9 105.90(15) . . ? N11 C10 C14 123.78(17) . . ? C9 C10 C14 130.32(16) . . ? C10 N11 N12 112.41(14) . . ? C10 N11 C15 128.27(16) . . ? N12 N11 C15 119.23(15) . . ? C13 N12 N11 105.60(14) . . ? N12 C13 C9 109.97(15) . . ? N12 C13 C16 120.09(15) . . ? C9 C13 C16 129.94(15) . . ? _refine_diff_density_max 0.247 _refine_diff_density_min -0.205 _refine_diff_density_rms 0.046 _shelx_res_file ; TITL MF1911 in P2(1)/c MF1911.res created by SHELXL-2018/3 at 08:58:03 on 15-Jul-2019 REM P2(1)/c (#14 in standard setting) REM AT-Fluro CELL 0.71073 9.881717 16.628515 7.530853 90.0000 103.1520 90.0000 ZERR 4.00 0.000706 0.001139 0.000529 0.0000 0.0074 0.0000 LATT 1 SYMM -x, y+1/2,-z+1/2 SFAC C H F N UNIT 48 48 8 16 TEMP -100 L.S. 6 FMAP 2 PLAN 10 ACTA WGHT 0.040300 0.438200 EXTI 0.010038 FVAR 7.35060 N1 4 0.271912 0.198666 0.518236 11.00000 0.02236 0.02879 = 0.02767 -0.00085 0.00117 -0.00090 N2 4 0.252519 0.124813 0.482669 11.00000 0.02280 0.02848 = 0.02638 0.00064 0.00259 -0.00035 C3 1 0.401077 0.218762 0.635663 11.00000 0.01981 0.03135 = 0.02208 -0.00124 0.00345 -0.00059 C4 1 0.428096 0.300729 0.657187 11.00000 0.02480 0.03258 = 0.02680 0.00138 0.00279 0.00206 F4 3 0.331587 0.352265 0.565521 11.00000 0.03918 0.03029 = 0.05024 0.00298 -0.00781 0.00379 C5 1 0.547687 0.332883 0.764388 11.00000 0.03432 0.03673 = 0.03433 -0.00484 0.00469 -0.00850 AFIX 43 H5A 2 0.561506 0.389398 0.773898 11.00000 -1.20000 AFIX 0 C6 1 0.646919 0.280002 0.857675 11.00000 0.02490 0.05233 = 0.02859 -0.00645 0.00176 -0.00655 AFIX 43 H6A 2 0.730761 0.300421 0.931737 11.00000 -1.20000 AFIX 0 C7 1 0.625632 0.197877 0.844494 11.00000 0.02316 0.04792 = 0.02852 0.00095 0.00135 0.00780 AFIX 43 H7A 2 0.693671 0.162032 0.910533 11.00000 -1.20000 AFIX 0 C8 1 0.504873 0.168442 0.734741 11.00000 0.02846 0.03072 = 0.03007 -0.00047 0.00376 0.00410 F8 3 0.487408 0.088359 0.726450 11.00000 0.04532 0.03234 = 0.06439 0.00273 -0.01313 0.00740 C9 1 0.123640 0.107999 0.366581 11.00000 0.02177 0.02395 = 0.02413 0.00124 0.00457 -0.00048 C10 1 0.081505 0.029494 0.321773 11.00000 0.02713 0.02528 = 0.02600 0.00094 0.00705 0.00107 N11 4 -0.045718 0.034960 0.210142 11.00000 0.02904 0.02198 = 0.02873 -0.00096 0.00373 -0.00340 N12 4 -0.088668 0.113357 0.177718 11.00000 0.02717 0.02512 = 0.02813 0.00136 0.00161 -0.00128 C13 1 0.014078 0.158135 0.272189 11.00000 0.02250 0.02428 = 0.02152 0.00092 0.00462 -0.00265 C14 1 0.154443 -0.047803 0.376125 11.00000 0.03912 0.02473 = 0.04413 0.00278 0.00966 0.00585 AFIX 137 H14A 2 0.102334 -0.079413 0.447914 11.00000 -1.50000 H14B 2 0.247997 -0.036999 0.449616 11.00000 -1.50000 H14C 2 0.161135 -0.078013 0.266716 11.00000 -1.50000 AFIX 0 C15 1 -0.139534 -0.029735 0.133323 11.00000 0.03822 0.02933 = 0.03549 -0.00425 0.00355 -0.01108 AFIX 137 H15A 2 -0.183393 -0.051526 0.227368 11.00000 -1.50000 H15B 2 -0.087202 -0.072374 0.088957 11.00000 -1.50000 H15C 2 -0.211342 -0.008981 0.031787 11.00000 -1.50000 AFIX 0 C16 1 0.003247 0.247723 0.265644 11.00000 0.03123 0.02321 = 0.02980 0.00312 0.00181 0.00008 AFIX 137 H16A 2 0.080313 0.270013 0.219260 11.00000 -1.50000 H16B 2 0.007515 0.268514 0.388561 11.00000 -1.50000 H16C 2 -0.085194 0.263426 0.184816 11.00000 -1.50000 AFIX 0 HKLF 4 REM MF1911 in P2(1)/c REM wR2 = 0.1118, GooF = S = 1.052, Restrained GooF = 1.052 for all data REM R1 = 0.0439 for 1835 Fo > 4sig(Fo) and 0.0626 for all 2408 data REM 167 parameters refined using 0 restraints END WGHT 0.0403 0.4383 REM Highest difference peak 0.247, deepest hole -0.205, 1-sigma level 0.046 Q1 1 -0.1174 -0.0770 0.2121 11.00000 0.05 0.25 Q2 1 0.0748 0.1398 0.3372 11.00000 0.05 0.22 Q3 1 0.0171 0.0273 0.2997 11.00000 0.05 0.21 Q4 1 0.1070 -0.0057 0.3583 11.00000 0.05 0.18 Q5 1 0.0968 0.0655 0.3875 11.00000 0.05 0.17 Q6 1 -0.1439 0.1337 0.0885 11.00000 0.05 0.17 Q7 1 0.1749 0.1165 0.4039 11.00000 0.05 0.16 Q8 1 -0.2262 -0.0226 0.1763 11.00000 0.05 0.16 Q9 1 0.3986 0.2549 0.6835 11.00000 0.05 0.16 Q10 1 -0.1592 -0.0133 -0.0324 11.00000 0.05 0.15 ; _shelx_res_checksum 80652 _shelx_hkl_file ; -2 0 0 328204. 5249.09 3 2 0 0 333859. 5242.62 3 -2 0 0 338552. 5196.96 2 -3 0 0 7011.39 279.829 2 -3 0 0 7121.75 308.259 3 3 0 0 7031.70 307.317 3 -4 0 0 849.650 118.224 2 4 0 0 783.671 125.632 3 -4 0 0 813.768 124.474 3 -5 0 0 58497.9 1356.37 3 -5 0 0 56195.6 1273.86 2 5 0 0 57179.2 1362.07 3 6 0 0 4605.39 340.927 3 -6 0 0 3899.82 282.592 2 -6 0 0 4238.26 325.001 3 -7 0 0 50.1453 92.0327 3 -7 0 0 187.755 108.857 2 -8 0 0 34914.0 1094.87 2 -8 0 0 39042.5 1253.88 3 -9 0 0 181.574 102.026 2 -9 0 0 101.632 95.7337 3 -10 0 0 197.455 119.750 3 -10 0 0-116.905 104.348 2 -11 0 0 253.377 114.219 3 -1 -1 0 35398.1 475.032 1 -1 1 0 65358.7 557.052 3 2 1 0 7879.90 259.632 2 -2 -1 0 7996.74 260.448 2 -2 -1 0 7714.31 272.567 3 -2 1 0 8066.26 289.434 3 2 -1 0 7605.85 282.511 3 2 1 0 7916.07 275.860 3 -3 1 0 36555.4 862.125 3 3 -1 0 36278.2 855.447 3 3 1 0 36610.3 852.478 3 -3 -1 0 37097.8 845.549 3 -3 -1 0 36660.1 799.103 2 3 1 0 35403.1 791.648 2 -4 1 0 760.126 124.450 3 4 -1 0 702.985 121.442 3 4 1 0 903.991 127.025 3 -4 -1 0 785.412 115.406 2 -4 -1 0 816.378 128.639 3 5 1 0 24965.4 784.518 3 -5 1 0 25394.5 810.361 3 5 -1 0 24209.3 791.883 3 -5 -1 0 23704.5 706.450 2 -5 -1 0 24676.0 776.320 3 -5 1 0 24849.6 729.380 2 -6 1 0 13236.5 541.305 2 -6 1 0 12947.4 589.684 3 -6 -1 0 12840.5 579.241 3 6 1 0 13234.2 592.569 3 -6 -1 0 12149.9 515.810 2 6 -1 0 13623.6 608.864 3 -7 1 0 2151.06 252.006 3 -7 1 0 2253.79 246.222 2 -7 -1 0 2141.05 256.685 3 -7 -1 0 2189.97 232.826 2 -8 1 0 20827.3 889.221 3 -8 1 0 20049.3 793.456 2 -8 -1 0 21656.0 891.091 3 -8 -1 0 21038.1 804.922 2 -9 -1 0 142.192 100.921 3 -9 -1 0 156.168 94.5424 2 -9 1 0 31.3479 92.1744 2 -9 1 0 158.045 131.579 3 -10 -1 0 10979.4 694.865 3 -10 1 0 11751.6 735.031 3 -10 1 0 10309.8 603.747 2 -10 -1 0 10047.2 590.535 2 -11 1 0-2.74309 131.910 3 -1 -2 0 508741. 7866.88 1 1 2 0 509802. 7866.26 1 -2 -2 0 2727.26 195.174 1 2 2 0 2631.95 157.221 2 -2 2 0 2442.26 170.013 3 2 2 0 2465.33 155.389 3 -3 -2 0 354278. 5655.28 1 -3 -2 0 340947. 5474.40 2 3 2 0 343174. 5473.70 2 3 2 0 344094. 5518.16 3 3 -2 0 336768. 5553.11 3 -3 2 0 341577. 5560.29 3 -4 -2 0 11738.4 463.143 3 4 -2 0 11786.2 483.789 3 -4 -2 0 11310.2 429.256 2 4 2 0 11829.3 435.181 2 -4 2 0 11791.4 485.205 3 4 2 0 11588.7 462.789 3 5 2 0 64191.8 1434.70 2 -5 2 0 67774.7 1559.90 3 5 -2 0 67832.1 1550.19 3 5 2 0 67851.1 1525.08 3 -5 -2 0 65671.1 1435.62 2 -5 -2 0 67638.0 1516.63 3 -6 2 0-65.0452 96.1575 3 -6 -2 0 25.1150 75.8474 2 -6 -2 0-51.0399 76.8943 3 -6 2 0 76.5694 85.2981 2 6 2 0 57.8831 71.9229 3 6 -2 0 93.3045 72.6971 3 -7 2 0 7227.42 434.611 2 -7 2 0 7755.04 500.380 3 -7 -2 0 8485.85 495.789 3 -7 -2 0 7625.02 430.232 2 -8 2 0 6869.56 447.814 2 -8 -2 0 6694.63 433.205 2 -8 -2 0 7655.06 506.694 3 -8 2 0 7638.81 521.435 3 -9 2 0 2992.76 311.182 2 -9 2 0 2856.02 341.045 3 -10 2 0 3769.48 419.395 3 -10 2 0 2786.58 315.687 2 -11 2 0 6535.32 583.186 3 -1 -3 0 17708.4 494.245 1 1 3 0 17411.4 488.136 1 -2 -3 0 14006.5 483.904 1 2 3 0 15177.3 516.887 1 -3 -3 0 11640.3 487.925 1 -3 3 0 11309.1 454.638 3 3 3 0 11848.3 437.548 3 3 3 0 12090.0 428.211 2 -4 -3 0 3529.34 302.031 1 4 3 0 3480.09 253.590 3 4 3 0 3378.83 229.651 2 -4 3 0 3122.57 254.802 3 5 3 0 30504.1 867.562 2 -5 3 0 32345.6 981.049 3 5 3 0 30208.7 910.775 3 6 3 0 3710.99 307.515 3 6 3 0 3515.36 274.081 2 -6 3 0 3547.53 323.708 3 -7 3 0 245.571 122.714 2 -7 3 0 129.692 123.200 3 -8 3 0 26823.3 1050.70 3 -8 3 0 24560.4 916.064 2 -9 3 0 18324.1 900.272 3 -9 3 0 19476.9 831.633 2 -10 3 0 123.480 130.868 2 -10 3 0-234.577 150.801 3 -11 3 0-84.1750 128.054 3 0 4 0 21993.7 583.230 1 1 4 0 90033.1 1708.04 1 -1 -4 0 90086.6 1707.55 1 2 4 0 3349.35 247.367 1 -2 -4 0 3449.29 242.728 1 -3 -4 0 43770.6 1126.13 1 3 4 0 45288.8 1041.36 2 -3 4 0 43075.6 1084.68 3 3 4 0 45656.0 1145.94 1 -4 4 0 26121.2 829.364 3 4 4 0 25407.0 750.989 2 4 4 0 25521.7 780.385 3 -4 -4 0 27100.6 889.094 1 5 4 0 112798. 2243.97 2 5 4 0 114074. 2312.39 3 -5 4 0 116305. 2387.91 3 6 4 0 2127.40 241.734 3 -6 4 0 2447.58 275.591 3 6 4 0 2166.71 219.759 2 -7 4 0 7379.71 516.051 3 7 4 0 6724.67 423.902 2 -8 4 0 3075.01 356.626 3 -8 4 0 2551.76 290.454 2 -9 4 0 5846.94 511.891 3 -9 4 0 5893.93 450.517 2 -10 4 0 220.835 145.711 3 -10 4 0 94.9951 95.0678 2 -11 4 0 259.251 148.276 3 0 5 0-22.3635 69.2490 1 -1 -5 0 63226.6 1342.91 1 1 5 0 61178.8 1331.09 1 2 5 0 7324.02 377.795 1 -2 -5 0 7156.63 376.165 1 -3 -5 0 57985.2 1421.06 1 3 5 0 62275.7 1502.69 1 4 5 0 59605.3 1368.98 2 -4 -5 0 58904.5 1493.22 1 4 5 0 58471.0 1384.21 3 -4 5 0 57789.6 1441.33 3 5 5 0 14066.7 602.906 3 -5 5 0 13514.5 628.459 3 5 5 0 13632.5 565.378 2 6 5 0 16055.4 664.473 2 -6 5 0 17450.7 765.670 3 6 5 0 16722.8 702.198 3 7 5 0 10637.0 552.860 2 -7 5 0 11874.6 661.197 3 -8 5 0 3106.50 364.509 3 -9 5 0 9429.77 662.993 3 -9 5 0 9389.22 591.995 2 -10 5 0 5848.60 488.113 2 -10 5 0 7201.27 599.567 3 -11 5 0 3176.28 432.892 3 0 6 0 14007.7 517.999 1 1 6 0 27173.5 807.711 1 -1 -6 0 29013.4 829.081 1 -2 -6 0 14569.9 584.286 1 2 6 0 14181.8 571.206 1 -3 -6 0 31182.8 984.380 1 3 6 0 32378.1 1004.74 1 -4 6 0 2514.34 254.770 3 4 6 0 2863.68 253.314 2 4 6 0 2511.63 278.634 1 -4 -6 0 2390.88 267.209 1 5 6 0 130.370 80.2239 3 -5 6 0 321.461 125.545 3 5 6 0 258.887 103.736 2 -6 6 0 196.096 133.646 3 6 6 0 184.818 87.7847 2 -7 6 0 666.635 164.650 3 -8 6 0 7089.27 558.249 3 -9 6 0 41.2017 136.776 3 -10 6 0 2290.44 359.762 3 -10 6 0 2202.62 309.081 2 -11 6 0 41.1283 119.018 3 0 7 0-110.087 92.2149 1 1 7 0 364.732 127.022 1 -2 -7 0 6039.66 386.970 1 2 7 0 6518.62 398.179 1 -3 -7 0 873.549 168.673 1 3 7 0 772.998 160.285 1 -4 7 0 23693.9 879.540 3 4 7 0 23468.2 918.988 1 5 7 0 2058.96 243.183 3 5 7 0 2240.29 249.998 2 -5 7 0 2118.75 281.376 3 -6 7 0 984.368 190.740 3 -7 7 0 3184.98 365.591 3 -8 7 0 1757.74 293.746 3 -9 7 0 21556.5 1082.55 3 -10 7 0-90.1459 131.586 2 -10 7 0 452.413 191.651 3 -11 7 0 2334.86 378.902 3 0 8 0 699.980 137.629 1 1 8 0 117394. 2397.58 1 2 8 0 4548.00 353.088 1 -2 -8 0 4609.32 357.853 1 3 8 0 22033.0 856.421 1 4 8 0 533.433 180.637 1 -5 8 0 520.578 163.989 3 -6 8 0 216.134 102.057 3 -7 8 0 1226.71 231.243 3 -8 8 0 1010.62 229.505 3 -9 8 0 12791.9 832.853 3 -10 8 0 478.930 199.553 3 -11 8 0-32.1773 151.678 3 0 9 0-157.784 119.929 1 1 9 0 14424.2 652.925 1 2 9 0 319.620 118.834 1 3 9 0 249.953 122.691 1 4 9 0 10912.5 654.878 1 -5 9 0 31476.1 1173.52 3 5 9 0 37520.1 1310.37 1 -6 9 0 4542.35 452.844 3 -7 9 0 1644.35 287.158 3 -8 9 0 6268.80 559.033 3 -9 9 0 306.337 171.332 3 -10 9 0 165.553 146.626 3 -11 9 0 298.137 175.665 3 0 10 0-30.8837 105.765 1 1 10 0 67747.5 1721.83 1 2 10 0 2260.48 263.096 1 3 10 0 29601.5 1088.25 1 4 10 0 4411.07 423.837 1 5 10 0 5953.30 524.356 1 -5 10 0 6542.28 523.953 3 -6 10 0 44541.2 1544.33 3 -7 10 0 590.324 204.212 3 -8 10 0 2087.97 348.382 3 -9 10 0 5396.96 564.999 3 -10 10 0 474.950 206.436 3 -11 10 0 798.366 256.443 3 0 11 0-155.969 122.631 1 1 11 0 8711.42 546.008 1 -1 11 0 8201.99 513.132 1 2 11 0 4506.35 409.879 1 3 11 0 1966.51 277.063 1 4 11 0 32084.5 1243.43 1 -5 11 0 4601.43 454.502 3 5 11 0 5107.81 497.987 1 -6 11 0 32440.5 1320.27 3 -7 11 0 12397.9 809.380 3 -8 11 0 3544.42 449.424 3 -9 11 0-3.78356 124.328 3 -10 11 0 315.775 215.746 3 0 12 0 23080.0 937.550 1 1 12 0 19448.4 881.495 1 -1 12 0 20385.9 875.783 1 2 12 0 54719.0 1637.82 1 3 12 0 4454.42 433.771 1 4 12 0 51451.8 1678.03 1 5 12 0 536.425 207.688 1 -6 12 0 49942.1 1732.18 3 -7 12 0 97.3153 133.494 3 -8 12 0 1026.59 292.094 3 -9 12 0 5190.11 591.281 3 -10 12 0 8844.33 788.256 3 0 13 0 61.9039 115.205 1 1 13 0 875.593 199.294 1 -1 13 0 846.655 203.268 1 2 13 0 20197.9 952.202 1 3 13 0 947.732 249.813 1 4 13 0-12.2068 160.303 1 5 13 0 16542.3 992.677 1 -6 13 0 150.887 164.774 3 -7 13 0 783.604 240.170 3 -8 13 0 297.232 171.900 3 -9 13 0 1667.19 341.635 3 0 14 0 18316.5 901.556 1 1 14 0 51805.7 1657.67 1 -1 14 0 51642.7 1628.60 1 -2 14 0 22959.3 1007.82 1 2 14 0 21441.2 1027.33 1 3 14 0 17231.9 936.098 1 4 14 0 726.405 205.460 1 5 14 0 5136.42 573.619 1 -6 14 0 596.125 184.481 3 -7 14 0 723.973 229.367 3 -8 14 0 297.006 147.244 3 0 15 0 39.6930 143.681 1 -1 15 0 5716.10 506.652 1 1 15 0 6036.97 535.081 1 2 15 0-29.6945 125.421 1 -2 15 0 423.581 200.525 1 3 15 0 14071.0 869.741 1 4 15 0 352.283 203.015 1 5 15 0 145.665 186.378 1 6 15 0 57.8106 151.463 1 -6 15 0-48.3741 141.409 3 -7 15 0 3051.80 468.727 3 -8 15 0 309.757 176.403 3 0 16 0 25100.9 1150.74 1 -1 16 0 632.070 206.540 1 1 16 0 529.366 189.218 1 2 16 0 13678.7 863.064 1 -2 16 0 13488.9 819.844 1 -3 16 0 72.7903 144.552 1 3 16 0 445.653 218.556 1 4 16 0 1126.06 304.357 1 5 16 0 2299.24 408.518 1 6 16 0 7078.27 714.324 1 -6 16 0 7297.56 702.182 3 -7 16 0 3978.12 538.657 3 0 17 0-52.6225 159.407 1 -1 17 0 3035.23 413.109 1 1 17 0 3639.56 446.788 1 2 17 0 306.716 183.910 1 -2 17 0 241.297 201.850 1 -3 17 0 573.742 212.128 1 3 17 0 753.737 245.840 1 4 17 0 75.9208 126.111 1 5 17 0 4879.49 606.038 1 -6 17 0 974.061 293.119 3 6 17 0 1373.63 358.397 1 0 18 0 2431.76 381.526 1 -1 18 0 401.072 189.067 1 1 18 0 447.325 195.070 1 -2 18 0-130.376 160.836 1 2 18 0 271.482 168.179 1 -3 18 0 3694.07 459.511 1 3 18 0 3978.19 499.470 1 -4 18 0 3395.31 451.671 1 4 18 0 3870.02 523.001 1 5 18 0-42.8582 142.303 1 0 19 0 7.64236 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13073.9 483.475 3 -1 -4 -2 61167.9 1333.88 1 -1 4 -2 57739.4 1365.77 3 2 4 2 64901.4 1524.11 3 2 -4 2 60843.1 1478.05 3 -2 4 -2 61644.8 1491.06 3 -3 4 -2 180862. 3452.90 3 3 -4 2 178062. 3447.82 3 3 4 2 182403. 3458.02 3 -4 4 -2 9480.85 556.481 3 4 4 2 9138.54 321.359 2 5 4 2 15282.7 446.579 2 -5 4 -2 15280.3 768.034 3 -6 4 -2 316.161 191.405 3 -7 4 -2 12738.5 783.092 3 -8 4 -2 77.2522 137.510 3 -9 4 -2 1541.59 317.555 3 -10 4 -2 4050.25 511.334 3 -11 4 -2 545.924 225.188 3 -12 5 2 1590.32 322.623 2 -11 5 2 5275.06 549.025 2 -10 5 2 2347.49 303.500 3 -10 5 2 1627.39 284.852 2 -9 5 2 7781.26 526.045 3 -9 5 2 6410.57 552.870 2 8 5 -2 9436.66 456.278 3 -8 5 2 9628.03 551.177 3 -7 5 2 4161.81 336.190 3 7 5 -2 3714.43 260.025 3 6 5 -2 34902.3 873.181 3 -6 5 2 35427.9 1037.67 3 5 5 -2 24962.3 664.776 3 5 5 -2 26644.0 933.121 1 -5 -5 2 24003.1 883.736 1 4 5 -2 2185.45 232.360 1 4 5 -2 1863.78 233.571 2 -4 -5 2 2141.98 233.562 1 3 5 -2 23187.8 768.684 1 3 5 -2 22876.9 809.086 2 2 5 -2 6994.66 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400.770 1 3 6 -2 7027.76 433.815 2 2 6 -2 18287.7 686.301 1 -2 6 2 17540.2 496.092 1 -1 6 2 8544.79 341.870 1 0 6 2 13094.2 503.159 1 0 -6 -2 12688.0 477.353 1 -1 6 -2 18625.2 705.607 3 -1 -6 -2 19625.8 668.998 1 -2 6 -2 8970.27 505.051 3 -2 -6 -2 8424.88 460.963 1 -3 6 -2 796.814 187.367 3 -4 6 -2 2357.12 305.037 3 5 6 2 1095.96 139.134 2 -5 6 -2 784.240 161.349 3 -6 6 -2 13541.8 793.048 3 6 6 2 13155.7 502.490 2 -7 6 -2 173.395 178.421 3 -8 6 -2 2599.68 399.887 3 -9 6 -2 129.691 131.619 3 -10 6 -2-27.1611 116.245 3 -11 7 2 8266.00 696.267 2 -10 7 2 1063.28 264.437 2 -10 7 2 963.024 235.534 3 -9 7 2 1063.85 194.768 3 -8 7 2 1029.90 220.094 3 7 7 -2 173.947 76.0045 3 -7 7 2 162.788 95.3355 3 6 7 -2 9802.12 460.112 3 6 7 -2 11081.2 662.560 1 5 7 -2 334.378 119.364 1 4 7 -2 7426.20 476.147 1 3 7 -2 1458.58 212.114 1 2 7 -2 3019.59 285.700 1 -2 7 2 3335.49 218.272 1 -1 7 2 220.323 81.7660 1 0 7 2 63.8152 77.4200 1 0 -7 -2 55.2001 69.2124 1 1 7 2 827.307 147.949 1 -1 -7 -2 839.794 143.813 1 -1 7 -2 755.182 158.007 3 -2 -7 -2 34548.6 1059.83 1 -2 7 -2 33655.2 1091.87 3 -3 7 -2 1287.64 214.949 3 -4 7 -2 829.876 186.735 3 5 7 2 5689.13 342.032 2 -5 7 -2 5186.59 472.591 3 6 7 2 1539.08 179.161 2 -6 7 -2 1481.80 277.501 3 -7 7 -2 34608.3 1421.81 3 -8 7 -2 754.064 238.696 3 -9 7 -2 5372.93 594.240 3 -10 7 -2 3859.21 521.799 3 -11 8 2 4105.58 507.919 2 -10 8 2 2446.93 356.487 3 -9 8 2 6.09207 116.218 3 -8 8 2 256.076 148.410 3 7 8 -2 562.502 130.507 3 -7 8 2 1157.77 218.593 3 6 8 -2 1470.14 259.548 1 5 8 -2 4829.91 417.205 1 4 8 -2 1949.41 262.240 1 -3 8 2 46023.8 1090.16 1 3 8 -2 48609.2 1374.05 1 2 8 -2-6.38711 102.189 1 -2 8 2 75.3902 67.1489 1 -1 8 2 108950. 2125.14 1 0 8 2 8411.77 424.403 1 0 -8 -2 7830.97 415.480 1 1 8 2 21056.9 775.175 1 -1 -8 -2 20308.4 754.059 1 -2 8 -2 269.409 143.291 3 -2 -8 -2 495.881 148.492 1 -3 8 -2 229.697 162.212 3 -4 8 -2 27.8406 106.841 3 -5 8 -2 4284.79 427.703 3 6 8 2 116.361 65.9169 2 -6 8 -2-107.059 148.015 3 -7 8 -2 20577.8 1073.69 3 -8 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670.249 210.730 1 0 13 2 12100.6 666.157 1 0 13 -2 12118.4 750.662 1 1 13 2 11891.8 692.005 1 2 13 2 97.4104 131.783 1 -3 13 -2 6594.28 570.698 3 -4 13 -2 22.9682 134.436 3 -5 13 -2 16.7310 166.715 3 -6 13 -2-167.940 128.662 3 -7 13 -2 3929.51 528.047 3 -10 14 2 560.795 236.319 3 -9 14 2 942.565 275.614 3 -8 14 2-10.4281 135.318 3 7 14 -2 1861.39 396.874 1 6 14 -2-140.813 197.264 1 5 14 -2 8962.44 704.437 1 -5 14 2 10017.9 600.120 1 4 14 -2 9028.30 703.178 1 -4 14 2 8180.60 540.799 1 3 14 -2 33605.5 1380.59 1 -3 14 2 34367.7 1175.39 1 -2 14 2 16427.0 785.981 1 2 14 -2 16799.9 925.379 1 -1 14 2 51114.0 1553.74 1 1 14 -2 53380.7 1754.92 1 0 14 2 31645.1 1186.49 1 0 14 -2 34049.8 1349.27 1 1 14 2 11901.4 718.507 1 2 14 2 1790.49 315.989 1 -3 14 -2 6644.15 601.329 3 3 14 2 7818.23 628.145 1 -4 14 -2 107.622 119.131 3 -5 14 -2 445.303 213.590 3 -6 14 -2 1462.24 358.185 3 -7 14 -2-91.5680 163.268 3 -9 15 2 1340.54 342.633 3 -8 15 2 590.503 194.920 3 7 15 -2 30.3240 157.241 1 6 15 -2 23.6097 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16 2 4347.22 499.383 1 -4 16 -2 8018.68 734.013 3 -5 16 -2 5032.56 599.124 3 6 17 -2 109.703 149.829 1 5 17 -2 1467.75 367.648 1 -4 17 2 68.5156 131.045 1 4 17 -2-208.226 227.184 1 -3 17 2 4926.24 470.133 1 3 17 -2 4633.98 544.069 1 -2 17 2-177.518 160.092 1 2 17 -2 60.0804 154.091 1 -1 17 2 1209.30 274.372 1 1 17 -2 1143.54 282.349 1 0 17 -2 862.993 282.754 1 0 17 2 292.037 169.230 1 -1 17 -2 207.426 180.199 1 1 17 2 257.615 181.826 1 2 17 2-37.8783 157.217 1 3 17 2 4038.42 500.429 1 -3 17 -2 3634.43 518.805 3 -4 17 -2 155.107 151.995 3 4 18 -2 294.545 189.279 1 -3 18 2 15.0144 120.881 1 3 18 -2 187.100 196.506 1 2 18 -2 2045.20 385.146 1 -2 18 2 2058.43 324.465 1 1 18 -2-46.4612 190.405 1 -1 18 2 323.384 171.316 1 0 18 2 337.490 180.930 1 0 18 -2 180.236 167.426 1 -1 18 -2 4807.26 558.201 1 1 18 2 4176.94 489.248 1 -2 18 -2 2519.53 415.451 1 2 18 2 4029.34 508.431 1 -3 18 -2 246.656 161.549 3 3 18 2 273.490 175.876 1 -3 19 2 367.149 145.232 1 3 19 -2 704.545 240.009 1 2 19 -2-125.590 192.593 1 -2 19 2-277.077 188.848 1 -1 19 2 893.039 239.157 1 1 19 -2 961.384 278.742 1 0 19 2 600.573 214.491 1 0 19 -2 1327.25 303.991 1 -1 19 -2 524.494 263.386 1 1 19 2 342.063 193.406 1 -2 19 -2 1628.98 378.540 1 2 19 2 1489.18 307.431 1 3 19 2 1329.51 342.255 1 -3 19 -2 435.390 198.979 1 -2 20 2 1405.31 284.659 1 -1 20 2 181.370 168.715 1 0 20 2 162.017 165.780 1 1 20 2 3015.06 456.235 1 2 20 2 331.058 240.833 1 -1 21 2 459.094 196.004 1 0 21 2-239.848 189.677 1 1 21 2-85.8923 176.545 1 -12 0 3-359.286 211.393 2 -11 0 3-465.420 265.920 2 -10 0 3-73.1156 124.958 2 -9 0 3 13.4693 147.697 2 -8 0 3-53.5646 165.897 2 -8 0 3-56.3845 82.3992 1 -7 0 3-12.3821 27.6267 3 -7 0 3 77.8215 67.0886 1 -6 0 3 12.6692 15.0996 3 -6 0 3-75.8353 137.103 2 -6 0 3-17.8188 49.2392 1 -5 0 3-72.9375 119.322 2 -5 0 3-9.33147 40.2956 1 -4 0 3-19.3170 105.373 2 4 0 -3-49.0636 49.7573 1 -3 0 3-52.0060 114.587 2 3 0 -3 63.4507 47.6715 1 -3 0 3 93.5722 39.5251 3 -2 0 3 49.3140 89.3025 2 -2 0 3 11.9909 41.4382 3 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1520.65 331.441 3 -11 8 3 1054.37 293.880 2 -10 8 3 3880.61 515.614 2 -9 8 3 32.1052 107.185 3 -8 8 3-31.5157 84.5590 3 7 8 -3 15385.4 854.551 1 6 8 -3 11140.6 674.232 1 5 8 -3 11957.8 672.089 1 -4 8 3 46681.2 1001.93 1 4 8 -3 48682.2 1445.63 1 -3 8 3 28873.3 723.464 1 3 8 -3 30921.4 1064.89 1 -2 8 3 8991.63 386.350 1 2 8 -3 9440.38 556.050 1 1 8 -3 19941.4 760.612 3 1 -8 -3 20039.3 659.997 1 0 8 -3 32612.2 1068.15 3 0 -8 -3 32432.9 955.258 1 -1 8 -3 11848.4 634.536 3 -1 -8 -3 12644.4 594.462 1 -2 8 -3 58990.1 1686.04 3 -3 8 -3 5227.97 467.262 3 -4 8 -3 4799.72 459.933 3 -5 8 -3 7697.41 614.618 3 -6 8 -3 1176.66 296.192 3 -7 8 -3 896.179 245.852 3 -8 8 -3 1973.95 393.028 3 -9 8 -3 330.071 148.091 3 -11 9 3 269.326 194.448 2 -9 9 3 331.952 181.732 3 -8 9 3 478.112 187.136 3 7 9 -3 3841.99 446.518 1 6 9 -3 408.716 137.277 1 5 9 -3 7032.64 530.844 1 -5 9 3 6524.16 321.890 1 -4 9 3 5188.32 278.918 1 4 9 -3 5601.60 462.088 1 -3 9 3 90.0585 58.6679 1 3 9 -3-0.23783 109.847 1 2 9 -3 16771.0 787.976 1 -2 9 3 17522.2 601.124 1 -1 9 3 17560.5 654.036 1 0 9 -3 5639.90 418.263 3 0 -9 -3 6324.61 395.311 1 -1 -9 -3 323.052 106.665 1 -1 9 -3 274.105 132.734 3 -2 9 -3 6620.28 504.175 3 -3 9 -3 1433.28 267.472 3 -4 9 -3 9479.98 665.324 3 -5 9 -3 36.0074 163.545 3 -6 9 -3 1506.85 313.330 3 -7 9 -3 1307.88 306.023 3 -8 9 -3 120.681 146.045 3 -11 10 3 1446.43 351.057 2 -9 10 3 35168.7 1354.07 3 8 10 -3 217.496 167.023 1 -8 10 3 193.336 174.332 3 7 10 -3 3465.68 436.112 1 6 10 -3 1981.84 319.910 1 -5 10 3 568.701 107.739 1 5 10 -3 618.791 157.526 1 -4 10 3 8713.82 400.412 1 4 10 -3 8440.89 596.887 1 3 10 -3 7246.25 535.702 1 -3 10 3 6991.18 363.897 1 -2 10 3 31589.7 915.867 1 2 10 -3 32386.4 1188.38 1 -1 10 3 635.928 144.473 1 0 10 -3 7561.32 514.373 3 0 -10 -3 7741.75 462.842 1 -1 10 -3 158.270 101.719 3 -2 10 -3 1103.80 226.858 3 -3 10 -3 52374.9 1703.04 3 -4 10 -3 517.178 202.283 3 -5 10 -3 7399.44 631.493 3 -6 10 -3 142.551 156.396 3 -7 10 -3 532.137 208.317 3 -8 10 -3 752.380 238.529 3 -9 11 3-111.713 165.055 3 8 11 -3 278.949 160.341 1 -8 11 3 60.2365 122.644 3 7 11 -3 2072.19 343.046 1 6 11 -3 211.051 121.151 1 -5 11 3 875.732 144.737 1 5 11 -3 491.588 180.628 1 4 11 -3 2514.85 345.067 1 -4 11 3 2689.41 236.437 1 -3 11 3 174.622 76.6578 1 3 11 -3 118.440 130.224 1 -2 11 3-42.7866 80.8230 1 2 11 -3 38.1737 142.519 1 -1 11 3-13.6742 76.8890 1 0 11 -3 928.798 196.794 3 0 11 3 1020.15 177.723 1 -1 11 -3 8020.41 579.242 3 -2 11 -3 4704.97 461.401 3 -3 11 -3 15757.3 893.709 3 -4 11 -3 31262.7 1347.96 3 -5 11 -3 4567.91 515.715 3 -6 11 -3 1816.51 364.713 3 -7 11 -3 1318.56 297.449 3 -9 12 3 97.0510 132.419 3 -8 12 3 17960.6 977.377 3 8 12 -3 17767.6 1075.75 1 7 12 -3 5130.98 552.314 1 6 12 -3 1068.85 263.919 1 5 12 -3 4253.57 461.305 1 -5 12 3 4557.96 330.660 1 -4 12 3 718.245 144.288 1 4 12 -3 1291.18 266.180 1 3 12 -3 27695.7 1178.75 1 -3 12 3 27148.4 897.222 1 -2 12 3 1042.54 178.993 1 2 12 -3 623.738 190.055 1 1 12 -3-79.8795 139.672 1 -1 12 3 71.1200 85.1671 1 0 12 3 1304.27 232.357 1 -1 12 -3 369.227 162.963 3 -2 12 -3 32419.4 1321.35 3 -3 12 -3 270.029 238.733 3 -4 12 -3 13770.1 892.414 3 -5 12 -3 59.9180 118.374 3 -6 12 -3 322.500 203.870 3 -7 12 -3 578.365 237.369 3 -9 13 3 2041.40 352.078 3 8 13 -3 1278.23 317.194 1 -8 13 3 1586.47 315.211 3 7 13 -3 75.1397 129.729 1 6 13 -3 12915.5 864.803 1 5 13 -3-71.6237 135.892 1 -5 13 3 140.077 98.5450 1 -4 13 3 1609.08 212.726 1 4 13 -3 1400.06 287.501 1 3 13 -3 994.528 254.109 1 -3 13 3 1194.78 194.416 1 -2 13 3 4346.48 357.586 1 2 13 -3 4067.57 451.474 1 -1 13 3 2949.23 320.998 1 1 13 -3 3159.40 395.998 1 0 13 3 53007.9 1616.86 1 -1 13 -3 2931.59 363.951 3 -2 13 -3 5828.62 550.185 3 -3 13 -3 13031.4 858.772 3 -4 13 -3 910.952 240.132 3 -5 13 -3 613.602 226.496 3 -6 13 -3 773.533 280.582 3 -9 14 3 2748.49 411.981 3 8 14 -3 3739.85 533.882 1 7 14 -3 2440.80 418.405 1 6 14 -3 6608.82 642.401 1 5 14 -3 33762.5 1459.61 1 -4 14 3-30.9035 85.9162 1 4 14 -3-135.271 170.352 1 3 14 -3 45.1223 125.724 1 -3 14 3 19.8005 110.459 1 -2 14 3 36.5705 86.0413 1 2 14 -3-228.945 196.504 1 -1 14 3 24748.6 995.365 1 1 14 -3 26174.8 1215.52 1 0 14 3 937.996 244.538 1 1 14 3 278.960 168.779 1 -1 14 -3-129.512 203.643 3 -2 14 -3 555.723 140.991 3 -3 14 -3 10905.7 809.268 3 -4 14 -3 353.957 191.223 3 -5 14 -3 227.036 231.124 3 -6 14 -3 172.740 215.890 3 -9 15 3-201.419 166.204 3 7 15 -3 1652.13 364.024 1 6 15 -3 5588.33 617.628 1 5 15 -3 960.321 284.186 1 -4 15 3 127.389 112.184 1 4 15 -3 528.855 200.250 1 3 15 -3 106.123 135.468 1 -3 15 3 73.9264 92.3241 1 -2 15 3 73.7373 101.446 1 2 15 -3 8.78109 141.330 1 -1 15 3 3707.21 386.694 1 1 15 -3 3616.97 467.264 1 0 15 3 17136.8 897.512 1 0 15 -3 16891.8 993.520 1 1 15 3 3975.12 445.098 1 -1 15 -3 3925.62 478.082 3 -2 15 -3 961.960 275.508 3 -3 15 -3 40.2830 186.375 3 -4 15 -3 961.239 269.823 3 -5 15 -3 2677.36 463.475 3 6 16 -3 291.510 191.075 1 5 16 -3 4951.09 565.027 1 4 16 -3 238.166 164.511 1 3 16 -3 1911.70 352.113 1 -3 16 3 2134.55 293.142 1 -2 16 3 3124.30 358.635 1 2 16 -3 3169.52 442.137 1 1 16 -3 584.393 258.194 1 -1 16 3 635.830 179.910 1 0 16 3 2551.28 358.888 1 0 16 -3 3171.76 443.276 1 1 16 3 1273.60 263.366 1 -1 16 -3 1557.48 319.547 3 -2 16 -3 120.169 145.901 3 -3 16 -3-76.4730 119.126 3 -4 16 -3 743.712 269.779 3 5 17 -3 613.364 240.197 1 4 17 -3 2333.72 421.886 1 3 17 -3 350.364 202.324 1 -2 17 3 2104.58 310.783 1 2 17 -3 2537.95 415.389 1 1 17 -3-48.0249 144.509 1 -1 17 3-115.207 125.093 1 0 17 3 118.532 169.613 1 0 17 -3-79.0925 153.535 1 1 17 3 621.591 215.876 1 -1 17 -3 620.352 246.732 1 -1 17 -3 728.849 240.890 3 -2 17 -3 4352.83 534.605 3 -3 17 -3 456.159 223.633 3 3 18 -3-68.4086 151.282 1 2 18 -3 112.690 199.310 1 -1 18 3 4214.16 473.205 1 1 18 -3 5267.97 599.924 1 0 18 3 417.053 195.493 1 0 18 -3 444.673 246.018 1 1 18 3 883.145 236.805 1 -1 18 -3 1425.04 321.273 1 -1 18 -3 995.142 271.392 3 -2 18 -3 325.530 166.753 3 0 19 3 2415.84 392.926 1 -1 19 -3 103.149 203.989 3 1 19 3 577.527 236.187 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649.024 2 1 1 -4 16772.5 609.063 3 0 1 4 4755.93 340.414 3 0 -1 4 4497.87 328.340 3 0 1 -4 4495.22 287.491 2 0 1 4 4632.69 290.386 2 0 1 -4 4616.25 331.271 3 0 -1 4 4212.29 281.428 2 1 1 4 12447.0 616.984 3 1 -1 4 12427.9 605.761 3 1 1 4 11981.6 431.262 2 -1 -1 -4 11622.7 597.348 3 -1 1 -4 11960.4 593.057 3 2 1 4 11889.5 359.259 2 -2 -1 -4 11904.5 638.910 3 -2 1 -4 12648.2 650.027 3 -3 -1 -4 257.559 125.183 3 -3 1 -4 157.007 104.743 3 -4 -1 -4 8216.44 598.734 3 -4 1 -4 7729.17 575.027 3 -5 -1 -4 320.594 149.042 3 -5 1 -4 655.976 210.099 3 -6 1 -4 29678.5 1290.80 3 -6 -1 -4 27461.4 1250.75 3 -7 -1 -4 190.977 128.885 3 -7 1 -4 5.52591 164.938 3 -8 -1 -4-178.026 222.346 3 -8 1 -4 114.305 131.020 3 -9 1 -4 18227.0 1150.53 3 -9 -1 -4 17251.3 1104.87 3 -12 2 4 177.520 207.259 2 -12 -2 4 234.094 193.278 2 -11 2 4 3448.58 481.407 2 -11 -2 4 3983.99 505.207 2 -10 2 4 358.598 177.342 2 -10 -2 4 198.259 151.003 2 -9 2 4 2640.19 392.548 2 -9 -2 4 2894.35 386.944 2 -8 -2 4 4641.11 482.977 2 -8 2 4 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292.920 2 -4 3 4 2898.27 293.265 2 4 3 -4 3128.39 253.942 1 3 3 -4-24.4980 57.5367 3 3 3 -4 122.530 95.2054 1 -3 -3 4-120.018 195.834 2 2 3 -4 49.0989 70.3870 2 -2 3 4 92.0432 59.0447 3 2 3 -4 169.014 78.7090 3 -2 -3 4-17.1708 129.035 2 -2 -3 4-44.7175 59.6759 3 1 3 -4 96.9713 85.9863 2 -1 3 4 42.9162 57.5563 3 1 3 -4 128.178 91.6519 3 -1 -3 4 70.8198 66.4837 3 0 3 -4 13063.3 597.380 3 0 -3 4 14163.4 613.533 3 0 3 -4 13390.4 553.033 2 0 3 4 14286.7 642.576 3 -1 3 -4 3343.22 322.943 3 1 -3 4 3718.06 330.299 3 1 3 4 3463.99 234.124 2 -1 3 -4 3608.69 258.808 2 -2 3 -4 12475.8 665.543 3 2 3 4 13387.2 421.755 2 -2 3 -4 13362.1 474.657 2 -3 3 -4 566.062 84.3637 2 -3 3 -4 480.378 141.714 3 3 3 4 294.677 40.2314 2 -4 3 -4 39480.4 1394.17 3 -4 3 -4 39880.8 794.546 2 -5 3 -4 13635.5 822.397 3 -6 3 -4 38.0183 183.029 3 -7 3 -4 2565.43 394.704 3 -8 3 -4 615.532 241.806 3 -9 3 -4 118.082 185.281 3 -12 4 4 5090.38 615.385 2 -11 4 4 383.874 228.840 2 -11 -4 4-15.9232 128.130 2 -10 4 4 222.210 200.405 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15052.5 864.897 3 -6 4 -4 55.4373 133.969 3 -7 4 -4 2710.33 422.424 3 -8 4 -4 8044.48 739.208 3 -9 4 -4 320.962 228.921 3 -11 5 4 3741.08 517.495 2 -10 5 4 3374.65 473.515 2 -9 5 4 197.121 136.027 2 -9 -5 4 55.5415 136.762 2 -8 -5 4 11882.8 795.802 2 -8 5 4 12956.1 564.391 3 -8 5 4 12784.4 829.928 2 -7 5 4 9896.57 469.227 3 7 5 -4 10375.2 608.045 1 -7 -5 4 9029.10 663.986 2 -7 5 4 9970.35 691.999 2 -7 5 4 8467.55 267.564 1 6 5 -4 260.879 121.764 1 -6 -5 4-65.3832 143.823 2 5 5 -4 1965.65 234.595 1 4 5 -4 6113.85 257.148 3 4 5 -4 6001.83 409.871 1 3 5 -4 20331.4 609.818 3 3 5 -4 19669.9 758.007 1 2 -5 -4 389.343 60.1103 1 2 5 -4 273.116 95.0641 3 1 5 -4 7554.36 421.452 3 1 -5 -4 7518.01 337.388 1 1 5 -4 7387.98 458.407 2 0 5 -4 6252.97 419.760 3 0 -5 -4 6110.11 358.582 1 0 5 -4 6735.05 413.196 2 -1 5 -4 1167.25 204.885 3 -1 5 -4 1565.86 190.069 2 -2 5 -4 4238.32 401.894 3 -2 5 -4 4602.12 307.821 2 -3 5 -4 7742.04 384.161 2 -3 5 -4 7759.23 571.098 3 -4 5 -4 5450.47 305.435 2 -4 5 -4 5283.80 502.895 3 -5 5 -4 7048.27 618.674 3 -6 5 -4 16793.3 992.739 3 -7 5 -4 3366.85 463.781 3 -8 5 -4 1003.21 299.934 3 -11 6 4-47.2505 143.739 2 -10 6 4-98.8980 155.492 2 -9 6 4 512.162 199.136 2 -8 6 4-63.9418 161.468 2 -8 6 4 166.713 101.732 3 7 6 -4 4258.48 418.865 1 6 6 -4 221.465 127.596 1 5 6 -4 1428.44 112.811 3 5 6 -4 1554.17 230.513 1 4 6 -4 9337.15 364.713 3 4 6 -4 9120.48 525.876 1 3 6 -4 335.064 111.227 1 3 6 -4 269.327 86.5447 3 2 6 -4 954.116 154.174 3 2 -6 -4 1148.42 105.944 1 1 -6 -4 3397.11 224.554 1 1 6 -4 3819.23 307.978 3 0 6 -4 6950.53 454.017 3 0 -6 -4 7421.29 392.598 1 0 6 -4 6242.36 421.873 2 -1 6 -4 5250.78 366.561 2 -1 6 -4 5119.58 416.711 3 -1 -6 -4 5924.06 406.453 1 -2 6 -4 2594.72 251.577 2 -2 6 -4 2730.13 330.662 3 -3 6 -4 212.889 152.982 3 -4 6 -4 8642.32 652.887 3 -5 6 -4 18.5176 168.203 3 -6 6 -4 1237.37 267.557 3 -7 6 -4 955.870 259.417 3 -8 6 -4 646.630 236.463 3 -11 7 4 283.074 172.571 2 -10 7 4 798.588 280.245 2 -9 7 4-156.155 186.611 2 -8 7 4 2035.73 251.247 3 7 7 -4-43.1343 136.720 1 6 7 -4 5871.30 463.927 1 6 7 -4 5304.22 222.732 3 6 7 -4 5164.87 219.883 3 5 7 -4 1386.28 136.350 3 5 7 -4 1390.41 240.495 1 4 7 -4 3920.12 255.919 3 4 7 -4 3744.36 356.080 1 3 7 -4 1002.21 195.508 1 3 7 -4 1286.82 166.798 3 2 7 -4 2847.75 267.481 3 1 -7 -4 220.667 71.8824 1 1 7 -4 298.508 122.333 3 0 -7 -4 18732.3 684.256 1 0 7 -4 20916.7 833.238 3 -1 -7 -4 125.326 71.0269 1 -1 7 -4 282.382 137.271 3 -1 7 -4 290.904 101.897 2 -2 7 -4 197.900 107.628 3 -3 7 -4 4064.43 427.273 3 -4 7 -4 867.138 225.120 3 -5 7 -4 34396.9 1434.36 3 -6 7 -4 1975.56 347.182 3 -7 7 -4 9143.23 776.885 3 -8 7 -4 5114.78 592.907 3 -11 8 4-0.49178 176.373 2 -10 8 4 415.119 190.802 2 8 8 -4 550.772 184.653 1 -8 8 4 855.627 192.480 3 7 8 -4 838.014 201.009 1 6 8 -4 458.165 174.234 1 6 8 -4 148.535 47.3712 3 5 8 -4 9404.43 409.440 3 5 8 -4 10687.9 639.250 1 4 8 -4 117.118 59.9167 3 4 8 -4 160.450 112.929 1 3 8 -4 51715.6 1305.83 3 3 8 -4 50453.1 1507.23 1 2 8 -4 2665.56 260.056 3 1 8 -4 5771.40 413.590 3 1 -8 -4 5290.89 319.440 1 0 -8 -4 112.908 79.4964 1 0 8 -4 379.612 163.928 3 -1 8 -4 29.4411 92.4639 3 -2 8 -4 147.884 100.395 3 -3 8 -4 5101.36 491.694 3 -4 8 -4-25.6920 138.516 3 -5 8 -4 22165.6 1150.86 3 -6 8 -4-332.835 219.599 3 -7 8 -4 618.393 224.894 3 -8 8 -4 4196.32 566.268 3 -10 9 4 260.543 199.553 2 8 9 -4 1859.12 334.565 1 -8 9 4 1754.66 269.814 3 7 9 -4 147.712 134.253 1 6 9 -4 1512.75 264.560 1 5 9 -4 2944.74 346.270 1 4 9 -4 2685.06 337.564 1 4 9 -4 2495.32 238.403 3 3 9 -4 146.069 148.574 1 3 9 -4 208.631 127.084 3 2 9 -4 4670.42 369.137 3 1 9 -4 130.805 125.964 3 1 -9 -4 168.614 75.3451 1 0 9 -4 7544.76 526.566 3 0 -9 -4 7849.71 458.000 1 -1 9 -4 8787.89 600.434 3 -2 9 -4 2938.22 343.914 3 -3 9 -4 965.317 242.901 3 -4 9 -4 3376.64 424.262 3 -5 9 -4 249.725 143.454 3 -6 9 -4 5032.76 574.878 3 -7 9 -4 315.167 145.369 3 8 10 -4 1801.75 344.911 1 7 10 -4 5026.27 512.378 1 6 10 -4 4318.72 448.371 1 -5 10 4 6355.90 256.612 1 5 10 -4 5594.32 512.831 1 4 10 -4-134.740 122.584 1 4 10 -4 92.0675 64.4641 3 3 10 -4 25128.7 900.376 3 3 10 -4 27718.6 1125.47 1 2 10 -4 1828.00 245.076 3 1 10 -4 13139.3 694.353 3 1 -10 -4 12448.0 559.543 1 0 10 -4 9976.42 623.903 3 0 -10 -4 8743.11 505.095 1 -1 10 -4 625.712 198.252 3 -2 10 -4 55077.7 1771.19 3 -3 10 -4 332.307 128.667 3 -4 10 -4 2219.89 349.638 3 -5 10 -4 14792.4 954.931 3 -6 10 -4 1968.27 375.869 3 -7 10 -4 2319.94 417.653 3 8 11 -4 9945.15 803.763 1 7 11 -4 322.582 177.776 1 6 11 -4-9.80914 112.128 1 5 11 -4 7276.41 599.712 1 4 11 -4 3256.13 396.200 1 -4 11 4 3358.91 239.469 1 3 11 -4 3454.29 331.669 3 3 11 -4 2725.25 361.437 1 2 11 -4 2120.01 316.776 1 2 11 -4 2589.86 308.558 3 1 11 -4 3532.37 371.123 3 0 11 -4 7322.34 554.944 3 -1 11 -4 670.581 180.678 3 -2 11 -4 17482.6 967.054 3 -3 11 -4 28848.4 1290.56 3 -4 11 -4 162.494 161.698 3 -5 11 -4 437.735 163.305 3 -6 11 -4-173.024 166.197 3 8 12 -4 5227.06 604.525 1 7 12 -4 566.984 230.876 1 6 12 -4 20004.7 1060.83 1 5 12 -4 152.221 177.518 1 -4 12 4 10784.6 470.058 1 4 12 -4 10748.4 741.176 1 -3 12 4 14892.4 608.373 1 3 12 -4 14864.3 878.740 1 2 12 -4 7465.36 530.962 3 2 12 -4 8171.25 641.310 1 1 12 -4 3657.25 391.879 3 0 12 -4 42501.7 1490.48 3 -1 12 -4 3313.57 401.280 3 -2 12 -4 74181.0 2231.70 3 -3 12 -4 1157.09 305.902 3 -4 12 -4 181.200 146.419 3 -5 12 -4 5811.26 621.734 3 -6 12 -4 7940.27 748.327 3 9 13 -4 8039.29 761.144 1 8 13 -4 160.979 181.220 1 7 13 -4 2366.67 391.768 1 6 13 -4 11483.5 821.184 1 5 13 -4 443.879 192.900 1 4 13 -4 177.221 149.328 1 3 13 -4 811.435 234.096 1 -3 13 4 699.688 153.509 1 2 13 -4 5335.26 471.013 3 2 13 -4 5415.76 539.538 1 1 13 -4 20769.8 991.882 3 0 13 -4 91.0821 126.113 3 -1 13 -4 999.508 248.486 3 -2 13 -4 1280.61 337.625 3 -3 13 -4-8.97441 160.093 3 -4 13 -4 120.719 137.464 3 -5 13 -4 4248.59 562.013 3 8 14 -4 231.644 189.487 1 7 14 -4 4024.74 522.828 1 6 14 -4 1315.07 286.252 1 5 14 -4 15039.8 965.195 1 4 14 -4 10926.4 803.224 1 3 14 -4 34757.2 1472.52 1 2 14 -4 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538.755 259.857 2 -6 7 7 332.144 149.293 2 6 7 -7 228.369 152.045 1 -5 7 7 1311.46 299.492 2 5 7 -7 1695.99 266.292 1 -4 7 7-206.807 132.034 2 4 7 -7 50.3005 132.984 1 -3 7 7 1452.96 295.933 2 3 7 -7 2247.16 273.456 3 -2 7 7 2158.55 337.950 2 2 7 -7 1582.20 255.821 3 -1 7 7 3109.49 369.625 2 1 7 -7 2799.73 341.989 3 0 7 7 316.180 149.078 2 0 7 -7 101.142 114.997 3 -1 7 -7 94.7805 168.802 3 -2 7 -7 38.8137 141.369 3 -3 7 -7 2966.06 447.138 3 -4 7 -7 604.420 256.131 3 -7 8 7 128.066 159.986 2 -6 8 7-80.9445 173.945 2 6 8 -7 198.294 115.385 1 -5 8 7 4021.65 506.478 2 5 8 -7 3178.08 381.759 1 -4 8 7 915.993 261.494 2 4 8 -7 992.744 234.857 1 -3 8 7 3070.45 408.935 2 2 8 -7 15520.7 807.422 3 -2 8 7 16355.0 917.669 2 -1 8 7-30.0183 119.345 2 1 8 -7 324.159 165.955 3 0 8 7 485.132 187.141 2 0 8 -7 596.661 144.948 3 -1 8 -7 4228.40 485.766 3 -2 8 -7 2788.47 432.654 3 -3 8 -7 613.146 207.057 3 -4 8 -7 405.910 184.111 3 -7 9 7 285.839 260.503 2 7 9 -7 21.7835 144.128 1 -6 9 7 2152.36 398.053 2 6 9 -7 1955.95 316.863 1 -5 9 7 261.256 211.207 2 5 9 -7 170.246 177.588 1 4 9 -7 852.288 213.241 1 2 9 -7 1961.00 295.204 3 1 9 -7 262.229 132.185 3 0 9 -7 7489.70 634.474 3 -1 9 -7 214.402 152.819 3 -2 9 -7-37.7745 128.346 3 -3 9 -7 1306.76 312.105 3 7 10 -7 2308.74 367.829 1 6 10 -7 6009.82 580.568 1 5 10 -7 148.079 185.658 1 4 10 -7 1785.72 328.911 1 3 10 -7-99.9298 128.483 1 2 10 -7 731.004 213.988 3 1 10 -7 2722.56 383.817 3 0 10 -7 5819.00 575.730 3 -1 10 -7 2470.69 420.985 3 -2 10 -7 251.771 204.744 3 -3 10 -7 1216.80 317.381 3 7 11 -7 34.1338 124.951 1 6 11 -7 110.695 177.870 1 5 11 -7-0.39852 141.858 1 4 11 -7 1647.59 336.464 1 3 11 -7 1323.08 321.086 1 2 11 -7 718.699 223.486 3 1 11 -7 6056.56 583.615 3 0 11 -7 12705.3 878.265 3 -1 11 -7 1849.41 372.720 3 -2 11 -7 998.014 271.729 3 7 12 -7 1503.58 331.309 1 6 12 -7 399.717 132.764 1 5 12 -7 721.711 212.748 1 4 12 -7 181.580 201.486 1 3 12 -7 277.622 194.433 1 1 12 -7 2035.17 357.719 3 0 12 -7 302.060 175.733 3 -1 12 -7 1680.35 387.236 3 -2 12 -7 629.362 247.015 3 6 13 -7 411.412 200.415 1 5 13 -7 1282.55 306.273 1 4 13 -7 7769.45 726.030 1 3 13 -7-124.573 230.142 1 2 13 -7 2115.51 397.009 1 1 13 -7 8098.97 693.496 3 0 13 -7 529.026 202.775 3 -1 13 -7 2848.72 446.852 3 0 14 -7 48.8917 133.805 3 -1 14 -7 82.7440 143.168 3 0 15 -7 370.494 217.638 3 -7 0 8 15613.6 1064.88 2 -6 0 8 19130.6 1146.61 2 -5 0 8 2554.66 411.717 2 -4 0 8 1335.09 284.273 2 -3 0 8 198.875 120.129 2 -2 0 8 6414.48 553.365 2 -1 0 8 334.689 137.404 2 -7 1 8 27096.8 1423.22 2 -7 -1 8 26809.0 1423.10 2 -6 1 8 609.194 227.650 2 -6 -1 8 533.070 236.031 2 -5 1 8 266.330 181.386 2 -5 -1 8 15.6499 153.411 2 -4 1 8 1194.12 297.058 2 -4 -1 8 1641.79 339.126 2 -3 1 8 314.171 150.398 2 -3 -1 8 698.232 194.474 2 -2 1 8-124.010 105.964 2 -2 -1 8 64.3026 120.078 2 -1 1 8 76.4116 124.984 2 -7 2 8 5494.60 629.698 2 -7 -2 8 5451.50 627.443 2 -6 2 8 1571.45 305.992 2 -6 -2 8 1681.88 331.642 2 -5 2 8 90.3931 157.989 2 -5 -2 8-71.8856 167.965 2 -4 2 8 304.807 170.706 2 -4 -2 8 759.235 223.110 2 -3 -2 8 10874.0 762.262 2 -3 2 8 11207.0 756.619 2 -2 2 8 112.919 122.390 2 -1 2 8 3373.13 374.505 2 -1 2 -8 4969.67 543.619 3 -2 2 -8 12020.4 881.420 3 -3 2 -8 1067.73 267.751 3 -7 3 8 1024.58 239.990 2 -7 -3 8 1107.18 266.740 2 -6 3 8 2184.77 369.944 2 -6 -3 8 1819.18 333.898 2 -5 3 8-96.2575 135.539 2 -5 -3 8-175.400 183.096 2 -4 -3 8 6178.49 595.134 2 -4 3 8 5646.03 576.877 2 -3 3 8-23.0610 111.976 2 -2 3 8 4186.96 448.469 2 -1 3 8 678.034 171.534 2 0 3 -8 6953.24 617.510 3 -1 3 -8 70.0601 157.560 3 -2 3 -8-29.7846 140.809 3 -3 3 -8 884.486 287.458 3 -7 4 8-0.97727 192.277 2 -7 -4 8-37.9600 300.810 2 -6 4 8 981.745 263.137 2 -5 4 8 2953.22 450.977 2 -4 4 8 1954.28 349.779 2 -3 4 8 3329.45 413.730 2 2 4 -8 1290.03 236.419 3 -2 4 8 1503.30 273.969 2 1 4 -8 3164.30 397.731 3 -1 4 8 3603.75 387.074 2 0 4 -8 418.216 161.477 3 -1 4 -8 4303.04 509.588 3 -2 4 -8 531.527 251.173 3 -3 4 -8 894.009 271.555 3 -7 5 8 259.992 129.876 2 -6 5 8-341.747 246.110 2 -5 5 8 26.5991 134.836 2 -4 5 8 1112.41 265.661 2 -3 5 8 661.652 237.145 2 -2 5 8 157.254 171.260 2 2 5 -8 177.286 142.131 3 1 5 -8 1346.69 273.205 3 -1 5 8 881.791 194.175 2 0 5 -8 960.999 256.577 3 -1 5 -8 1842.29 343.486 3 -2 5 -8 7434.20 714.715 3 -3 5 -8-243.422 212.647 3 -6 6 8 57.7543 212.729 2 -5 6 8-131.947 136.726 2 -4 6 8 2585.59 409.123 2 -3 6 8 982.564 252.292 2 -2 6 8 495.973 171.886 2 1 6 -8 61.6653 112.948 3 0 6 -8 267.668 191.726 3 -1 6 -8 815.403 250.213 3 -2 6 -8-96.9681 157.136 3 -3 6 -8 1684.90 354.119 3 -6 7 8 2738.98 442.053 2 -5 7 8 510.355 214.856 2 -4 7 8 971.654 286.672 2 4 7 -8 992.323 239.642 1 -3 7 8 1446.02 300.521 2 -2 7 8 54.4057 124.173 2 1 7 -8 17.7382 133.083 3 0 7 -8 197.934 176.748 3 -1 7 -8 7179.03 669.230 3 -2 7 -8 5768.43 628.544 3 -6 8 8-60.7321 127.637 2 -5 8 8 245.613 176.848 2 -4 8 8 25.5988 111.403 2 4 8 -8-103.472 147.492 1 -3 8 8-65.1086 113.371 2 -2 8 8 208.028 127.608 2 1 8 -8 1399.94 283.603 3 0 8 -8 382.797 212.150 3 -1 8 -8 7202.88 685.877 3 -2 8 -8 354.021 196.959 3 -5 9 8 665.637 250.396 2 -4 9 8 301.368 167.641 2 4 9 -8 269.035 178.385 1 -3 9 8 462.557 194.871 2 -2 9 8-7.85013 115.103 2 0 9 -8 1319.65 297.816 3 -1 9 -8 335.212 163.908 3 -2 9 -8 2610.63 436.528 3 -5 10 8 1441.59 358.953 2 5 10 -8 739.120 208.420 1 -4 10 8 2779.26 447.077 2 4 10 -8 3810.22 488.216 1 -3 10 8 256.254 139.893 2 3 10 -8 426.905 167.858 1 -2 10 8 12116.8 850.896 2 0 10 -8-75.1337 144.713 3 -1 10 -8 3174.56 463.341 3 5 11 -8 1321.99 309.854 1 -4 11 8-351.557 210.776 2 4 11 -8-102.038 171.906 1 3 11 -8 4150.15 537.903 1 -3 11 8 4650.21 563.203 2 -2 11 8 1247.11 336.039 2 0 11 -8 1710.47 336.358 3 -1 11 -8-227.347 184.150 3 5 12 -8 551.199 218.317 1 4 12 -8 3566.65 503.293 1 3 12 -8 478.496 193.422 1 -6 0 9 115.672 132.354 2 -5 0 9-40.3870 142.375 2 -4 0 9-84.9774 156.213 2 -3 0 9-42.5562 114.758 2 -6 1 9 183.065 146.494 2 -6 -1 9 190.052 190.791 2 -5 1 9 160.831 144.956 2 -5 -1 9 269.052 183.083 2 -4 1 9 0.85338 155.332 2 -4 -1 9 91.6577 146.486 2 -3 1 9 328.431 154.070 2 -3 -1 9 535.998 229.188 2 -6 2 9-190.730 166.035 2 -6 -2 9 159.637 191.286 2 -5 2 9 1348.83 327.577 2 -5 -2 9 1131.18 284.675 2 -4 2 9 737.123 254.370 2 -3 2 9 1430.07 297.536 2 -5 3 9 104.608 164.022 2 -4 3 9 849.344 255.579 2 -3 3 9 222.146 172.960 2 -5 4 9 48.3765 126.842 2 -4 4 9 188.973 160.725 2 -3 4 9-45.6811 160.147 2 0 4 -9-36.0014 155.223 3 -1 4 -9 76.2728 158.085 3 -5 5 9 917.198 249.919 2 -4 5 9 805.269 229.837 2 -3 5 9 365.794 198.499 2 0 5 -9-74.7306 122.187 3 -1 5 -9 14191.8 1000.09 3 -5 6 9 1872.15 385.395 2 -4 6 9-200.830 208.131 2 -3 6 9 674.027 202.838 2 -1 6 -9 382.192 234.294 3 -4 7 9-305.769 247.548 2 -3 7 9 592.379 198.812 2 -1 7 -9 2230.24 394.341 3 -4 8 9 4652.48 565.886 2 0 0 0 0.00 0.00 0 TITL MF1911 in P2(1)/c REM P2(1)/c (#14 in standard setting) CELL 0.71073 9.881717 16.628515 7.530853 90.0000 103.1520 90.0000 ZERR 4.00 0.000706 0.001139 0.000529 0.0000 0.0074 0.0000 LATT 1 SYMM -x, y+1/2,-z+1/2 SFAC C H N F UNIT 48.00 48.00 16.00 8.00 TREF HKLF 4 END ; _shelx_hkl_checksum 55532 #===END data_4pzMe-OMe2 _audit_creation_method 'SHELXL-2018/3' _shelx_SHELXL_version_number '2018/3' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C14 H18 N4 O2' _chemical_formula_sum 'C14 H18 N4 O2' _chemical_formula_weight 274.32 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' _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 7.0910(4) _cell_length_b 20.3120(9) _cell_length_c 10.3246(6) _cell_angle_alpha 90 _cell_angle_beta 103.879(6) _cell_angle_gamma 90 _cell_volume 1443.67(14) _cell_formula_units_Z 4 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 1297 _cell_measurement_theta_min 2.8700 _cell_measurement_theta_max 27.4140 _exptl_crystal_description 'blocky needles' _exptl_crystal_colour Yellow _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.262 _exptl_crystal_F_000 584 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.668 _exptl_crystal_size_mid 0.130 _exptl_crystal_size_min 0.093 _exptl_absorpt_coefficient_mu 0.087 _shelx_estimated_absorpt_T_min ? _shelx_estimated_absorpt_T_max ? _exptl_absorpt_correction_type analytical _exptl_absorpt_correction_T_min 0.966 _exptl_absorpt_correction_T_max 0.992 _exptl_absorpt_process_details ; CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_absorpt_special_details ? _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source 'Enhance (Mo) X-ray Source' _diffrn_measurement_device_type 'Agilent Xcalibur 3 E' _diffrn_measurement_method 'omega scans' _diffrn_detector_area_resol_mean 16.0382 _diffrn_reflns_number 5099 _diffrn_reflns_av_unetI/netI 0.0448 _diffrn_reflns_av_R_equivalents 0.0228 _diffrn_reflns_limit_h_min -8 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_k_min -26 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_l_min -9 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_theta_min 2.855 _diffrn_reflns_theta_max 28.222 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.817 _diffrn_measured_fraction_theta_full 0.990 _diffrn_reflns_Laue_measured_fraction_max 0.817 _diffrn_reflns_Laue_measured_fraction_full 0.990 _diffrn_reflns_point_group_measured_fraction_max 0.817 _diffrn_reflns_point_group_measured_fraction_full 0.990 _reflns_number_total 2913 _reflns_number_gt 2211 _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, Rigaku OD' _computing_cell_refinement 'CrysAlisPro, Rigaku OD' _computing_data_reduction 'CrysAlisPro, Rigaku OD' _computing_structure_solution 'SHELXS-2014 (Sheldrick, 2017)' _computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'CIFTAB-2014 (Sheldrick, 2017)' _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^)+(0.0474P)^2^+0.2130P] 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 2913 _refine_ls_number_parameters 186 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0686 _refine_ls_R_factor_gt 0.0483 _refine_ls_wR_factor_ref 0.1185 _refine_ls_wR_factor_gt 0.1075 _refine_ls_goodness_of_fit_ref 1.068 _refine_ls_restrained_S_all 1.068 _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 N1 N 0.2772(2) 0.58510(6) 0.69643(13) 0.0270(3) Uani 1 1 d . . . . . N2 N 0.3465(2) 0.58743(7) 0.82027(14) 0.0371(4) Uani 1 1 d . . . . . C3 C 0.3069(2) 0.52531(7) 0.63698(15) 0.0246(4) Uani 1 1 d . . . . . C4 C 0.2358(2) 0.51501(8) 0.50070(16) 0.0270(4) Uani 1 1 d . . . . . N5 N 0.2789(2) 0.45242(7) 0.47858(13) 0.0292(3) Uani 1 1 d . . . . . N6 N 0.3742(2) 0.42051(6) 0.59286(13) 0.0301(3) Uani 1 1 d . . . . . C7 C 0.3921(2) 0.46474(8) 0.68950(15) 0.0260(4) Uani 1 1 d . . . . . C8 C 0.1341(3) 0.56102(9) 0.39414(17) 0.0349(4) Uani 1 1 d . . . . . H8A H 0.073462 0.596506 0.434156 0.052 Uiso 1 1 calc R U . . . H8B H 0.033909 0.536996 0.329544 0.052 Uiso 1 1 calc R U . . . H8C H 0.228124 0.579800 0.348680 0.052 Uiso 1 1 calc R U . . . C9 C 0.2315(3) 0.41522(9) 0.35444(18) 0.0415(5) Uani 1 1 d . . . . . H9A H 0.338054 0.384928 0.351832 0.062 Uiso 1 1 calc R U . . . H9B H 0.212485 0.445647 0.278742 0.062 Uiso 1 1 calc R U . . . H9C H 0.111958 0.390055 0.349194 0.062 Uiso 1 1 calc R U . . . C10 C 0.4938(3) 0.44697(8) 0.82921(16) 0.0357(4) Uani 1 1 d . . . . . H10A H 0.613788 0.472672 0.856452 0.054 Uiso 1 1 calc R U . . . H10B H 0.525388 0.399922 0.833712 0.054 Uiso 1 1 calc R U . . . H10C H 0.409097 0.456651 0.889105 0.054 Uiso 1 1 calc R U . . . C11 C 0.3060(3) 0.64909(8) 0.87728(16) 0.0345(4) Uani 1 1 d . . . . . C12 C 0.1656(3) 0.65009(8) 0.95103(17) 0.0364(4) Uani 1 1 d . . . . . C13 C 0.1347(3) 0.70704(9) 1.01786(18) 0.0450(5) Uani 1 1 d . . . . . H13A H 0.039815 0.707879 1.069048 0.054 Uiso 1 1 calc R U . . . C14 C 0.2438(3) 0.76228(9) 1.0087(2) 0.0507(6) Uani 1 1 d . . . . . H14A H 0.222166 0.801224 1.053993 0.061 Uiso 1 1 calc R U . . . C15 C 0.3833(3) 0.76278(9) 0.9359(2) 0.0462(5) Uani 1 1 d . . . . . H15A H 0.455422 0.801632 0.930120 0.055 Uiso 1 1 calc R U . . . C16 C 0.4168(3) 0.70533(8) 0.87097(17) 0.0381(5) Uani 1 1 d . . . . . O17 O 0.0675(2) 0.59192(6) 0.95205(12) 0.0428(4) Uani 1 1 d . . . . . C18 C -0.0860(3) 0.59078(10) 1.0194(2) 0.0522(5) Uani 1 1 d . . . . . H18A H -0.137672 0.545962 1.017846 0.078 Uiso 1 1 calc R U . . . H18C H -0.189604 0.620708 0.974614 0.078 Uiso 1 1 calc R U . . . H18B H -0.036213 0.604879 1.112114 0.078 Uiso 1 1 calc R U . . . O19 O 0.5561(2) 0.69859(6) 0.80049(13) 0.0468(4) Uani 1 1 d . . . . . C20 C 0.6657(4) 0.75580(10) 0.7848(2) 0.0601(6) Uani 1 1 d . . . . . H20A H 0.758437 0.744714 0.731467 0.090 Uiso 1 1 calc R U . . . H20B H 0.736246 0.771675 0.872702 0.090 Uiso 1 1 calc R U . . . H20C H 0.577429 0.790272 0.739422 0.090 Uiso 1 1 calc R U . . . 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 N1 0.0281(8) 0.0255(7) 0.0266(7) -0.0001(6) 0.0051(6) -0.0012(6) N2 0.0495(10) 0.0293(8) 0.0285(8) -0.0024(6) 0.0012(7) 0.0089(7) C3 0.0243(8) 0.0248(8) 0.0250(8) 0.0001(7) 0.0062(7) -0.0014(7) C4 0.0227(8) 0.0316(9) 0.0264(8) 0.0008(7) 0.0053(7) -0.0033(7) N5 0.0275(8) 0.0339(8) 0.0255(7) -0.0045(6) 0.0048(6) -0.0015(6) N6 0.0284(8) 0.0297(7) 0.0304(8) -0.0015(6) 0.0038(6) 0.0018(6) C7 0.0247(9) 0.0257(8) 0.0269(8) -0.0005(7) 0.0048(7) -0.0012(7) C8 0.0310(10) 0.0417(10) 0.0299(9) 0.0053(8) 0.0029(8) -0.0018(8) C9 0.0411(11) 0.0491(12) 0.0335(10) -0.0128(9) 0.0072(9) -0.0052(9) C10 0.0425(11) 0.0293(9) 0.0309(9) 0.0027(8) 0.0002(8) 0.0045(8) C11 0.0451(11) 0.0256(9) 0.0265(9) -0.0023(7) -0.0038(8) 0.0094(8) C12 0.0428(11) 0.0305(9) 0.0295(9) -0.0022(8) -0.0040(8) 0.0074(8) C13 0.0502(12) 0.0426(11) 0.0386(11) -0.0086(9) 0.0036(9) 0.0111(10) C14 0.0654(15) 0.0340(11) 0.0458(12) -0.0148(9) 0.0001(11) 0.0109(10) C15 0.0550(13) 0.0288(10) 0.0481(12) -0.0066(9) -0.0005(10) 0.0019(9) C16 0.0443(11) 0.0290(9) 0.0358(10) -0.0007(8) -0.0004(9) 0.0084(9) O17 0.0465(8) 0.0379(7) 0.0417(7) -0.0050(6) 0.0061(6) 0.0022(6) C18 0.0538(14) 0.0571(13) 0.0450(12) 0.0026(10) 0.0101(10) 0.0048(11) O19 0.0553(9) 0.0293(7) 0.0562(8) -0.0001(6) 0.0141(7) 0.0006(6) C20 0.0582(15) 0.0397(12) 0.0814(17) 0.0003(11) 0.0150(13) -0.0059(11) _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 N1 N2 1.2558(18) . ? N1 C3 1.3994(19) . ? N2 C11 1.442(2) . ? C3 C4 1.392(2) . ? C3 C7 1.419(2) . ? C4 N5 1.340(2) . ? C4 C8 1.491(2) . ? N5 N6 1.3736(18) . ? N5 C9 1.456(2) . ? N6 C7 1.326(2) . ? C7 C10 1.494(2) . ? C11 C12 1.391(3) . ? C11 C16 1.397(3) . ? C12 O17 1.372(2) . ? C12 C13 1.391(2) . ? C13 C14 1.379(3) . ? C14 C15 1.378(3) . ? C15 C16 1.395(2) . ? C16 O19 1.367(2) . ? O17 C18 1.426(2) . ? O19 C20 1.428(2) . ? 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 N2 N1 C3 114.58(13) . . ? N1 N2 C11 112.38(13) . . ? C4 C3 N1 121.17(14) . . ? C4 C3 C7 105.89(13) . . ? N1 C3 C7 132.81(14) . . ? N5 C4 C3 105.83(14) . . ? N5 C4 C8 123.96(14) . . ? C3 C4 C8 130.21(15) . . ? C4 N5 N6 112.75(12) . . ? C4 N5 C9 128.94(14) . . ? N6 N5 C9 118.26(14) . . ? C7 N6 N5 105.37(13) . . ? N6 C7 C3 110.16(14) . . ? N6 C7 C10 119.97(14) . . ? C3 C7 C10 129.86(14) . . ? C12 C11 C16 119.89(16) . . ? C12 C11 N2 118.36(16) . . ? C16 C11 N2 121.45(17) . . ? O17 C12 C13 124.89(18) . . ? O17 C12 C11 114.97(15) . . ? C13 C12 C11 120.14(18) . . ? C14 C13 C12 119.00(19) . . ? C15 C14 C13 122.10(18) . . ? C14 C15 C16 118.91(19) . . ? O19 C16 C15 124.62(18) . . ? O19 C16 C11 115.44(15) . . ? C15 C16 C11 119.94(19) . . ? C12 O17 C18 117.73(14) . . ? C16 O19 C20 117.45(15) . . ? _refine_diff_density_max 0.206 _refine_diff_density_min -0.195 _refine_diff_density_rms 0.046 _shelx_res_file ; TITL MF1908 in P2(1)/c MF1908.res created by SHELXL-2018/3 at 11:39:21 on 20-Jun-2019 REM P2(1)/c (#14 in standard setting) REM rf26-1-E CELL 0.71073 7.091039 20.311978 10.324591 90.0000 103.8788 90.0000 ZERR 4.00 0.000405 0.000929 0.000597 0.0000 0.0062 0.0000 LATT 1 SYMM -x, y+1/2,-z+1/2 SFAC C H N O UNIT 56 72 16 8 TEMP -100 L.S. 6 OMIT 0 1 1 FMAP 2 PLAN 10 ACTA WGHT 0.047400 0.213000 FVAR 7.00115 N1 3 0.277173 0.585102 0.696432 11.00000 0.02806 0.02546 = 0.02663 -0.00011 0.00508 -0.00121 N2 3 0.346477 0.587433 0.820268 11.00000 0.04951 0.02931 = 0.02848 -0.00242 0.00120 0.00891 C3 1 0.306914 0.525308 0.636980 11.00000 0.02432 0.02477 = 0.02497 0.00009 0.00620 -0.00139 C4 1 0.235768 0.515009 0.500700 11.00000 0.02267 0.03156 = 0.02638 0.00078 0.00532 -0.00333 N5 3 0.278867 0.452422 0.478582 11.00000 0.02747 0.03392 = 0.02548 -0.00446 0.00480 -0.00146 N6 3 0.374232 0.420513 0.592861 11.00000 0.02841 0.02970 = 0.03041 -0.00148 0.00380 0.00176 C7 1 0.392053 0.464744 0.689505 11.00000 0.02471 0.02572 = 0.02693 -0.00053 0.00482 -0.00121 C8 1 0.134105 0.561020 0.394140 11.00000 0.03099 0.04166 = 0.02992 0.00528 0.00293 -0.00179 AFIX 137 H8A 2 0.073462 0.596506 0.434156 11.00000 -1.50000 H8B 2 0.033909 0.536996 0.329544 11.00000 -1.50000 H8C 2 0.228124 0.579800 0.348680 11.00000 -1.50000 AFIX 0 C9 1 0.231467 0.415223 0.354441 11.00000 0.04112 0.04906 = 0.03351 -0.01283 0.00720 -0.00521 AFIX 137 H9A 2 0.338054 0.384928 0.351832 11.00000 -1.50000 H9B 2 0.212485 0.445647 0.278742 11.00000 -1.50000 H9C 2 0.111958 0.390055 0.349194 11.00000 -1.50000 AFIX 0 C10 1 0.493837 0.446968 0.829212 11.00000 0.04248 0.02933 = 0.03093 0.00274 0.00018 0.00451 AFIX 137 H10A 2 0.613788 0.472672 0.856452 11.00000 -1.50000 H10B 2 0.525388 0.399922 0.833712 11.00000 -1.50000 H10C 2 0.409097 0.456651 0.889105 11.00000 -1.50000 AFIX 0 C11 1 0.305963 0.649094 0.877281 11.00000 0.04514 0.02558 = 0.02654 -0.00230 -0.00382 0.00936 C12 1 0.165566 0.650090 0.951031 11.00000 0.04275 0.03051 = 0.02950 -0.00216 -0.00400 0.00736 C13 1 0.134670 0.707044 1.017864 11.00000 0.05015 0.04265 = 0.03858 -0.00865 0.00358 0.01111 AFIX 43 H13A 2 0.039815 0.707879 1.069048 11.00000 -1.20000 AFIX 0 C14 1 0.243818 0.762278 1.008698 11.00000 0.06541 0.03401 = 0.04578 -0.01476 0.00005 0.01086 AFIX 43 H14A 2 0.222166 0.801224 1.053993 11.00000 -1.20000 AFIX 0 C15 1 0.383300 0.762785 0.935931 11.00000 0.05496 0.02882 = 0.04813 -0.00661 -0.00053 0.00187 AFIX 43 H15A 2 0.455422 0.801632 0.930120 11.00000 -1.20000 AFIX 0 C16 1 0.416822 0.705330 0.870968 11.00000 0.04435 0.02901 = 0.03577 -0.00072 -0.00041 0.00837 O17 4 0.067544 0.591924 0.952054 11.00000 0.04647 0.03786 = 0.04167 -0.00495 0.00606 0.00221 C18 1 -0.085987 0.590779 1.019423 11.00000 0.05384 0.05707 = 0.04496 0.00262 0.01014 0.00482 AFIX 137 H18A 2 -0.137672 0.545962 1.017846 11.00000 -1.50000 H18C 2 -0.189604 0.620708 0.974614 11.00000 -1.50000 H18B 2 -0.036213 0.604879 1.112114 11.00000 -1.50000 AFIX 0 O19 4 0.556136 0.698590 0.800491 11.00000 0.05534 0.02926 = 0.05619 -0.00015 0.01409 0.00063 C20 1 0.665657 0.755803 0.784788 11.00000 0.05815 0.03967 = 0.08145 0.00032 0.01499 -0.00589 AFIX 137 H20A 2 0.758437 0.744714 0.731467 11.00000 -1.50000 H20B 2 0.736246 0.771675 0.872702 11.00000 -1.50000 H20C 2 0.577429 0.790272 0.739422 11.00000 -1.50000 AFIX 0 HKLF 4 REM MF1908 in P2(1)/c REM wR2 = 0.1185, GooF = S = 1.068, Restrained GooF = 1.068 for all data REM R1 = 0.0483 for 2211 Fo > 4sig(Fo) and 0.0686 for all 2913 data REM 186 parameters refined using 0 restraints END WGHT 0.0474 0.2131 REM Highest difference peak 0.206, deepest hole -0.195, 1-sigma level 0.046 Q1 1 -0.0107 0.5628 0.3863 11.00000 0.05 0.21 Q2 1 0.0892 0.4252 0.3094 11.00000 0.05 0.19 Q3 1 0.3569 0.4184 0.3107 11.00000 0.05 0.18 Q4 1 0.1156 0.5532 0.2889 11.00000 0.05 0.17 Q5 1 0.3241 0.5279 0.5606 11.00000 0.05 0.17 Q6 1 0.2026 0.5191 0.5664 11.00000 0.05 0.17 Q7 1 0.1076 0.6861 0.9382 11.00000 0.05 0.16 Q8 1 0.3003 0.4933 0.6853 11.00000 0.05 0.16 Q9 1 0.1796 0.6043 0.4007 11.00000 0.05 0.15 Q10 1 0.0637 0.5940 1.1399 11.00000 0.05 0.14 ; _shelx_res_checksum 50825 _shelx_hkl_file ; 0 0 2 173594. 2506.14 2 0 0 -2 175330. 2503.91 2 0 0 -3 43.1345 79.3619 2 0 0 3 267.015 135.819 2 0 0 -4-14.8238 83.6608 2 0 0 4 127.054 113.700 2 0 0 -5-56.9393 89.0701 2 0 0 5 6.58383 106.039 2 0 0 6 119259. 2331.53 2 0 0 -6 121361. 2327.61 2 0 0 7 81.9456 124.012 2 0 0 -7 74.8655 119.899 2 0 0 8 307.812 159.724 2 0 0 9 25.2556 120.904 2 0 0 10 7097.69 598.998 2 0 0 11 222.274 190.216 2 0 0 12 1099.32 297.211 2 0 1 -1 34.1576 36.3605 2 0 -1 -2 281940. 3822.77 2 0 1 2 284451. 3831.19 2 0 -1 2 285260. 3943.20 2 0 1 -2 278458. 3915.92 2 0 -1 -3 24784.6 604.554 2 0 1 -3 23358.0 623.327 2 0 -1 3 25228.4 668.112 2 0 1 3 23815.5 597.476 2 0 -1 -4 3220.65 234.914 2 0 1 4 2898.04 230.240 2 0 1 -4 2730.50 225.185 2 0 -1 4 2929.10 257.661 2 0 -1 -5 1003.17 152.518 2 0 1 -5 1129.19 173.264 2 0 -1 5 1078.75 179.472 2 0 1 5 1135.82 170.461 2 0 -1 6 1223.62 211.220 2 0 1 6 1128.55 184.485 2 0 -1 -6 1394.37 201.697 2 0 1 -6 1511.94 231.031 2 0 -1 7 2492.37 315.236 2 0 -1 -7 3243.22 323.828 2 0 1 7 2675.77 306.626 2 0 1 8 12909.8 694.484 2 0 -1 8 12876.6 743.895 2 0 -1 9 19028.3 957.854 2 0 1 9 18540.5 902.138 2 0 1 10 273.468 159.019 2 0 -1 10 736.357 232.953 2 0 1 11 3220.64 433.256 2 0 -1 11 2579.90 393.909 2 0 -1 12 819.611 282.173 2 0 -2 1 163912. 2100.12 2 0 2 -1 126537. 2092.09 2 0 -2 2 141.657 91.0112 2 0 -2 -2 159.193 59.4862 2 0 2 2 56.4270 54.8344 2 0 2 -2 119.089 89.8599 2 0 2 2 185.904 79.1718 1 0 -2 -3 279.268 82.8290 2 0 2 -3 373.810 127.953 2 0 -2 3 250.107 125.202 2 0 2 3 232.092 87.5846 2 0 -2 -4 32423.8 777.733 2 0 2 4 32753.0 797.870 2 0 -2 4 32664.3 906.691 2 0 2 -4 31996.4 893.397 2 0 2 5 1352.86 176.411 2 0 2 -5 1746.59 228.768 2 0 -2 5 1406.39 205.245 2 0 -2 -5 1204.84 149.812 2 0 -2 6 34301.8 1100.29 2 0 -2 -6 33419.9 945.652 2 0 2 6 35197.2 1003.31 2 0 2 -6 36187.6 1136.85 2 0 2 7 26619.6 933.724 2 0 -2 7 27471.6 1032.56 2 0 -2 -7 28219.0 953.908 2 0 -2 8-33.4146 116.306 2 0 2 8 83.1929 117.417 2 0 -2 9 3982.03 456.618 2 0 2 9 4122.73 418.904 2 0 2 10 1110.27 242.328 2 0 2 10 1040.32 246.729 1 0 -2 10 1375.63 310.471 2 0 -2 11 513.648 240.132 2 0 -2 12 1464.28 355.913 2 0 3 0 57.8155 44.9310 2 0 -3 0 380.016 75.6491 2 0 3 1 573521. 7417.80 1 0 3 -1 575780. 7583.93 2 0 -3 -1 576977. 7422.71 1 0 -3 1 555065. 7563.25 2 0 -3 2 17138.7 533.713 2 0 3 2 16496.9 381.655 1 0 -3 -2 18175.6 372.374 2 0 3 -2 18772.5 570.699 2 0 3 -3 1748.45 196.623 2 0 -3 -3 1893.24 140.067 2 0 3 3 1654.99 142.233 1 0 -3 3 1695.69 207.602 2 0 -3 4 136193. 2428.30 2 0 3 4 136240. 2147.11 1 0 -3 -4 133059. 2136.60 2 0 3 4 135908. 2162.10 2 0 3 -4 142163. 2477.37 2 0 -3 5 23345.4 851.981 2 0 -3 -5 22315.8 666.393 2 0 3 5 23419.6 681.182 1 0 3 5 22404.5 683.695 2 0 -3 6 436.967 154.348 2 0 -3 -6 442.130 105.597 2 0 3 6 463.608 129.813 2 0 3 7 7203.20 436.197 1 0 -3 7 7404.22 537.315 2 0 3 7 7280.23 455.599 2 0 -3 -7 6795.45 431.577 2 0 3 8 3736.34 338.317 1 0 -3 -8 3544.70 341.725 2 0 -3 8 3142.08 380.288 2 0 3 8 3597.76 356.283 2 0 3 9 6203.79 463.572 1 0 -3 9 6492.12 597.345 2 0 3 9 5471.42 470.835 2 0 -3 10 2613.24 417.421 2 0 3 10 2401.21 313.899 1 0 -3 11 411.078 228.544 2 0 -3 12 3225.37 509.283 2 0 -3 13 681.726 271.118 2 0 -4 0 53287.4 911.703 2 0 4 0 51876.6 915.229 2 0 4 -1 53898.6 1025.82 2 0 -4 1 54581.4 1040.67 2 0 4 1 54115.2 914.146 1 0 -4 -1 53827.6 920.549 1 0 4 2 219.264 88.5158 1 0 -4 2 214.199 138.478 2 0 4 -2 139.327 101.387 2 0 -4 -2 235.362 87.3309 1 0 -4 -3 16464.9 404.533 2 0 -4 3 16846.8 617.773 2 0 4 3 16734.7 439.874 1 0 -4 4 51513.1 1279.86 2 0 4 4 49275.2 993.652 1 0 -4 -4 51040.2 981.044 2 0 4 5 15444.2 525.914 1 0 -4 5 16206.0 700.638 2 0 -4 -5 15963.7 524.504 2 0 4 -5 16063.1 717.252 2 0 -4 -6 9904.49 436.796 2 0 -4 6 10861.4 627.252 2 0 4 6 11621.7 525.745 1 0 -4 -7 26185.6 849.345 2 0 4 7 26430.4 853.610 1 0 -4 7 26639.9 1077.12 2 0 4 8 8899.70 539.834 1 0 -4 -8 8322.41 511.868 2 0 -4 8 7830.45 607.985 2 0 -4 9 6647.02 593.015 2 0 4 9 7649.05 510.976 1 0 -4 10 3003.23 452.654 2 0 4 10 3109.90 335.392 1 0 -4 11 402.092 186.650 2 0 -4 12 2034.04 424.213 2 0 -4 13 269.889 254.025 2 0 5 0-64.4650 73.2792 2 0 -5 0-7.04383 90.8238 2 0 -5 -1 19709.8 497.381 1 0 -5 -1 19378.1 431.832 2 0 -5 1 22110.2 608.018 2 0 5 -1 20021.8 572.695 2 0 -5 2 2507.23 237.989 2 0 5 2 3123.94 177.630 1 0 5 -2 2827.54 243.380 2 0 -5 -2 2855.39 176.445 1 0 -5 3 149310. 2691.65 2 0 5 3 155434. 2340.41 1 0 -5 -3 155500. 2247.39 2 0 5 -3 157656. 2713.45 2 0 -5 4 95.7234 135.029 2 0 -5 -4-12.0884 53.0239 2 0 5 -4 183.858 132.441 2 0 5 4-24.3340 75.6556 1 0 -5 -5 17430.5 525.325 2 0 5 5 16567.7 552.834 1 0 5 -5 17650.5 766.216 2 0 -5 5 17941.4 770.511 2 0 5 6 89.4088 99.0190 1 0 -5 6 267.732 167.378 2 0 -5 -6 96.7631 69.0773 2 0 5 7 3042.75 257.209 1 0 -5 7 3288.45 378.292 2 0 -5 -7 3135.69 269.644 2 0 -5 8 29145.1 1230.46 2 0 -5 -8 31908.0 994.048 2 0 5 8 28507.0 895.836 1 0 5 9 4490.21 354.785 1 0 -5 9 5382.29 551.639 2 0 -5 10 8306.37 727.383 2 0 -5 11-112.617 194.749 2 0 -5 12 333.949 244.413 2 0 -6 0 761082. 10209.8 2 0 6 0 787833. 10224.0 2 0 -6 -1 24522.6 620.154 1 0 -6 1 25617.9 712.937 2 0 -6 -1 25699.1 554.473 2 0 6 -1 25673.7 702.355 2 0 -6 2 517.063 140.454 2 0 6 2 470.417 103.461 1 0 -6 -2 381.228 97.4279 1 0 6 -2 521.165 142.889 2 0 6 -3 22755.3 779.799 2 0 -6 -3 21494.1 472.633 2 0 6 3 22181.3 558.422 1 0 -6 -3 21661.1 557.206 1 0 -6 3 21741.0 769.127 2 0 6 -4 1142.52 202.478 2 0 -6 4 1294.13 214.366 2 0 -6 -4 1339.02 112.915 2 0 6 4 1277.80 133.757 1 0 -6 -5 1623.87 143.724 2 0 -6 5 1328.79 253.985 2 0 6 5 1171.00 157.585 1 0 -6 -6 728.957 118.848 2 0 6 6 802.624 146.974 1 0 -6 6 1056.47 229.066 2 0 -6 -7 1198.32 162.306 2 0 6 7 1043.73 163.378 1 0 -6 -8 11652.2 558.911 2 0 -6 8 12182.4 792.101 2 0 6 8 12458.8 574.912 1 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215.712 2 0 -7 11 180.538 188.850 2 0 -7 12 721.667 285.230 2 0 8 0 129874. 2177.60 2 0 -8 0 132534. 2192.74 2 0 8 -1 64290.6 1363.91 2 0 -8 1 64621.4 1372.45 2 0 -8 -1 63920.9 1279.39 1 0 -8 -1 63716.6 1187.70 2 0 8 -2 22168.0 762.705 2 0 -8 -2 21872.7 518.638 2 0 -8 -2 21486.6 622.573 1 0 8 -3 95543.3 1993.50 2 0 -8 -3 92917.0 1626.19 1 0 -8 3 93522.6 1973.16 2 0 8 3 93690.3 1637.69 1 0 -8 4 16702.8 763.044 2 0 -8 -4 15462.8 506.717 1 0 -8 -4 15909.1 405.967 2 0 8 4 17076.5 528.681 1 0 8 5 30118.2 787.270 1 0 -8 5 31401.4 1133.36 2 0 -8 -5 30060.1 645.126 2 0 -8 -6 3021.77 193.122 2 0 8 6 2989.63 239.488 1 0 -8 6 3336.69 389.266 2 0 -8 7 18640.6 976.632 2 0 8 7 18383.5 634.514 1 0 -8 -7 18329.0 587.657 2 0 8 8 2898.37 263.494 1 0 -8 8 2832.11 408.898 2 0 -8 9 14061.7 939.211 2 0 -8 10 1789.17 358.568 2 0 -8 11 637.125 298.015 2 0 9 0 220.955 106.328 2 0 -9 0 413.605 156.813 1 0 -9 0 408.241 140.139 2 0 9 -1 3786.52 300.330 2 0 -9 -1 4217.39 293.678 1 0 -9 -1 4076.44 251.496 2 0 9 -2 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1259.27 251.392 2 -2 -1 10 3153.31 380.158 2 -2 1 10 3591.45 400.804 2 -2 -1 9 5173.56 455.424 2 -2 1 9 5115.63 423.451 2 -2 -1 8 518.918 158.426 2 -2 1 8 910.117 189.046 2 -2 -1 7 359.094 141.237 2 -2 1 7 247.620 94.6693 2 -2 1 7 307.031 103.633 1 -2 1 6 3255.20 222.792 1 -2 -1 6 3142.88 258.743 1 -2 1 6 3236.92 295.502 2 -2 -1 6 2812.94 296.088 2 -2 -1 5 1941.45 198.530 1 -2 -1 5 2129.77 240.164 2 -2 1 5 2007.97 206.354 2 -2 1 5 1856.11 155.705 1 -2 1 4 28947.6 655.563 1 -2 -1 4 29551.5 750.741 1 -2 1 4 29574.9 778.222 2 -2 -1 4 28249.7 836.690 2 2 1 -3 175.782 117.026 1 -2 1 3 418.727 99.1604 1 2 -1 -3 238.801 95.6348 1 -2 -1 3 207.452 112.752 1 2 1 -2 18406.1 564.324 1 2 -1 -2 18586.9 505.761 1 -2 1 2 18627.7 509.356 1 -2 -1 2 19470.8 568.596 1 2 1 -1 972466. 12964.0 1 2 -1 -1 981952. 12901.3 1 -2 -1 1 975375. 12964.2 1 2 -1 0 41926.6 963.183 1 2 1 0 40445.3 954.506 1 -2 -1 -1 11065.0 495.836 1 2 -1 1 11728.3 508.353 1 2 1 1 10536.9 477.109 1 2 1 2 2828.49 308.242 1 -2 1 -2 2123.29 264.199 2 -2 1 -3 4759.76 383.415 2 -2 -1 -3 4658.41 375.259 2 2 1 3 5170.15 377.651 1 -2 -1 -4 42051.8 1215.15 2 -2 1 -4 40191.0 1221.80 2 2 1 4 40894.3 1203.42 1 2 1 5 159810. 3041.88 1 2 1 6 9716.08 613.866 1 2 1 7 31044.2 1189.23 1 2 1 8 2396.96 348.026 1 2 1 9 7439.33 633.589 1 2 -1 10-92.4969 212.418 1 2 1 10 290.334 210.051 1 2 1 11 396.310 251.733 1 2 -1 11 419.987 214.596 1 -2 -2 12 17.7827 152.829 2 -2 -2 11 10365.9 772.837 2 -2 2 11 9073.35 632.987 2 -2 -2 10 2835.76 376.819 2 -2 2 10 2854.41 325.289 2 -2 -2 9 14130.9 792.735 2 -2 2 9 15123.6 725.278 2 -2 2 8 4925.20 301.125 1 -2 2 8 4605.22 359.931 2 -2 -2 8 4329.23 403.416 2 -2 -2 7 18939.7 796.644 2 -2 2 7 19154.5 574.269 1 -2 2 7 19730.6 710.689 2 -2 2 6 97.1432 78.9602 2 -2 2 6 108.928 66.6628 1 -2 -2 6 402.067 134.068 1 -2 -2 6 272.854 143.349 2 -2 2 5 49546.2 908.833 1 -2 -2 5 48065.7 1129.50 1 -2 -2 5 47617.2 1255.92 2 -2 2 5 48724.5 1086.24 2 -2 -2 4 37872.2 926.255 1 -2 -2 4 37736.9 1035.16 2 -2 2 4 37107.2 721.114 1 -2 2 4 37825.9 872.334 2 2 2 -3 12325.2 476.936 1 -2 -2 3 13335.3 489.365 1 -2 2 3 13436.9 380.527 1 2 -2 -3 13092.3 360.526 1 -2 -2 2 151421. 2418.25 1 2 2 -2 148126. 2403.70 1 -2 2 2 153388. 2264.76 1 2 -2 -2 146823. 2217.51 1 2 2 -1 207593. 3158.56 1 2 -2 -1 203843. 3013.74 1 -2 -2 1 206349. 3149.65 1 2 2 0 39995.5 966.408 1 2 -2 0 39082.9 924.975 1 -2 -2 0 40672.1 982.262 1 -2 -2 -1 30855.1 904.136 1 2 2 1 31934.4 898.000 1 -2 2 -1 30146.4 888.663 2 2 2 2 120881. 2205.55 1 -2 2 -2 125110. 2308.46 2 -2 -2 -3 52538.0 1352.38 2 2 2 3 52757.3 1321.17 1 -2 2 -3 54023.3 1401.06 2 -2 -2 -4 26491.3 936.419 2 -2 2 -4 27149.9 986.044 2 -2 -2 -5 284.331 131.140 2 2 2 5 268.269 157.334 1 2 2 6 14748.9 774.681 1 2 2 7 53.0637 166.654 1 2 2 8 892.032 290.284 1 2 2 9 2899.55 452.435 1 2 2 10 183.883 214.458 1 2 -2 11 2148.70 405.140 1 2 2 11 2909.79 428.022 1 2 -2 12 482.389 228.515 1 -2 -3 12 596.387 243.657 2 -2 -3 11 526.592 253.996 2 -2 -3 10 506.916 214.637 2 -2 3 10 484.299 158.385 2 -2 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11766.1 601.803 2 -2 -3 -4 32191.3 1022.43 2 2 -3 4 33663.8 1154.11 2 2 -3 5 720.658 218.994 2 2 3 5 803.639 208.538 1 -2 -3 -5 768.044 179.082 2 2 -3 6 61881.6 1804.21 2 2 3 6 57963.2 1607.90 1 2 3 7 1841.41 316.444 1 2 -3 7 1448.80 305.587 2 2 3 8 937.924 239.002 1 2 3 9 5277.63 518.796 1 2 3 10 859.836 247.491 1 2 -3 12-22.2195 232.510 1 -2 -4 13-66.9506 165.247 2 -2 -4 12 2110.43 387.092 2 -2 -4 11 20651.8 1126.08 2 -2 4 10 468.523 184.778 2 -2 -4 10 66.2353 141.552 2 -2 -4 9 1065.11 256.348 2 -2 4 9 641.524 105.379 1 -2 4 9 672.137 156.409 2 -2 4 8 2620.98 257.472 2 -2 4 8 2434.24 162.696 1 -2 -4 8 2193.86 318.682 2 -2 4 7 3541.06 170.345 1 -2 -4 7 3905.66 393.441 2 -2 4 7 4192.99 280.996 2 -2 -4 6 750.516 176.475 1 -2 4 6 634.627 115.195 2 -2 -4 6 755.078 196.471 2 -2 -4 5 1944.27 230.287 1 -2 -4 5 1338.74 232.130 2 -2 4 5 1656.76 150.830 2 -2 -4 4 18982.6 676.879 1 -2 4 4 18601.2 499.694 2 -2 -4 4 19594.1 760.203 2 2 -4 -3 7072.02 215.948 1 -2 -4 3 7429.12 404.095 1 -2 -4 2 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540.361 2 -2 5 8 12822.6 308.459 1 -2 -5 8 13487.3 772.473 2 -2 5 8 12776.6 308.727 1 -2 5 7 8800.32 385.338 2 -2 -5 7 9360.34 618.561 2 -2 -5 6 46.1175 120.497 1 -2 -5 6 45.9921 131.593 2 -2 5 6 131.841 69.9058 2 -2 -5 5 12373.4 584.308 1 -2 -5 5 12525.0 651.104 2 -2 5 5 12896.8 388.919 2 -2 -5 4 6857.47 468.916 2 -2 -5 4 7370.44 430.441 1 -2 -5 3 12075.7 537.852 1 -2 -5 3 10921.2 564.086 2 2 -5 -3 11510.1 288.752 1 -2 -5 2 9201.76 468.091 1 2 5 -2 8925.19 461.599 1 -2 -5 1 9356.30 468.492 1 2 5 -1 8794.16 472.587 1 -2 5 1 8432.88 381.190 2 2 5 0 31121.7 898.603 1 -2 -5 0 29685.3 886.198 1 -2 5 0 30136.1 843.380 2 2 5 1 17015.2 654.984 1 -2 -5 -1 15772.5 643.464 1 -2 5 -1 15937.2 629.674 2 -2 5 -2 43316.1 1169.99 2 2 -5 2 43218.3 1188.16 2 2 5 2 43830.7 1142.26 1 -2 5 -3 1539.17 234.692 2 -2 -5 -3 974.673 176.214 1 2 -5 3 1259.99 227.829 2 2 5 3 1182.90 204.308 1 2 5 4 18568.0 773.747 1 2 -5 4 17353.6 820.970 2 2 5 5 243.360 171.540 1 -2 -5 -5 496.810 149.829 2 2 -5 5 557.768 214.637 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344.930 299.637 2 -2 -8 12 262.134 248.513 2 -2 -8 11-161.945 188.335 2 -2 -8 10 4441.57 541.996 2 -2 -8 9 4903.78 552.804 2 -2 -8 8 11342.3 757.454 2 -2 -8 7 703.980 196.839 2 -2 -8 6 4702.55 470.347 2 -2 -8 5 20097.5 908.930 2 -2 -8 4 788.984 208.623 2 -2 -8 3 44381.0 1253.18 1 -2 -8 3 43147.4 1293.08 2 -2 8 3 43527.1 805.011 2 -2 -8 2 15640.6 688.725 1 -2 -8 2 16232.2 721.046 2 -2 8 2 15354.8 481.173 2 -2 -8 1 10966.9 562.171 1 2 8 -1 11380.2 573.980 1 -2 8 1 10078.6 439.597 2 -2 8 0 50120.9 1191.97 2 2 -8 0 49831.8 1217.47 2 2 8 0 50924.5 1302.16 1 -2 -8 0 47789.1 1290.68 1 2 8 1 2541.89 281.524 1 -2 8 -1 2417.23 261.278 2 -2 -8 -1 2291.68 271.035 1 2 -8 1 2339.97 269.707 2 2 8 2 6465.37 443.937 1 -2 8 -2 6247.17 440.161 2 -2 -8 -2 7061.12 461.240 1 2 -8 2 6762.92 474.111 2 2 8 3 4359.85 375.292 1 2 -8 3 4950.96 431.028 2 -2 -8 -3 4199.58 354.084 1 2 -8 4 4946.38 466.151 2 2 8 4 5316.17 421.721 1 -2 -8 -4 4501.35 388.256 1 -2 -8 -5 3614.07 350.222 2 2 -8 5 3961.23 443.446 2 2 8 5 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50764.0 1724.78 2 2 15 4 18100.6 889.565 1 2 -15 4 19242.2 1082.70 2 2 15 5 2498.43 335.817 1 2 -15 5 3193.68 472.695 2 2 15 6 3818.06 422.524 1 2 -15 6 4105.86 548.871 2 2 -15 7-215.755 260.713 2 2 -15 8 459.116 223.592 2 -2 -16 9 547.452 308.253 2 -2 -16 8 2614.40 461.964 2 -2 -16 7 1565.89 357.780 2 -2 -16 6 7431.55 685.516 2 -2 -16 5 22090.1 1197.92 2 -2 -16 4 566.742 259.377 2 -2 -16 3 286.765 199.510 2 2 -16 -3 83.8594 93.0554 1 -2 -16 2 3529.38 419.725 2 -2 16 2 3500.34 296.889 2 2 -16 -2 3939.35 313.563 2 -2 16 1 327.481 117.342 2 -2 -16 1 530.378 188.030 2 2 -16 -1 396.466 155.428 2 -2 -16 0 3364.31 388.737 2 2 -16 0 2956.91 347.071 2 -2 -16 -1-11.5657 113.422 2 2 -16 1 15.4950 139.182 2 2 -16 2 6434.78 579.836 2 -2 -16 -2 6086.89 484.535 2 2 -16 3 1162.75 305.065 2 2 16 3 995.076 253.320 1 2 16 4 13430.4 786.177 1 2 -16 4 15366.8 994.490 2 2 -16 5 5599.56 626.004 2 2 16 5 5867.30 512.433 1 2 16 6 799.950 228.743 1 2 -16 6 1077.53 322.776 2 2 -16 7 1023.89 298.081 2 -2 -17 8 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278.973 2 2 -22 5 315.739 204.866 2 -2 -23 5 176.456 226.500 2 -2 -23 4 209.177 208.983 2 -2 -23 3 787.089 286.425 2 -2 -23 2 1288.95 299.450 2 -2 -23 1 1437.92 315.980 2 -2 -23 0 333.438 168.021 2 2 -23 2 3855.26 521.165 2 2 -23 3-27.7788 174.943 2 2 -23 4 3639.39 555.533 2 -2 -24 4 243.778 203.285 2 -2 -24 3 232.468 215.141 2 -2 -24 2 2280.36 410.618 2 -2 -24 1 1832.98 369.416 2 2 -24 3 2512.91 461.193 2 2 -24 4 887.925 328.122 2 -2 -25 3 495.562 247.797 2 -2 -25 2 2536.50 421.126 2 -2 -26 3 553.055 270.574 2 -3 0 11 11.8748 168.790 2 -3 0 10 224.279 172.830 2 -3 0 9 234.117 132.177 2 -3 0 8 3366.26 280.820 1 -3 0 8 3797.84 387.466 2 -3 0 7 161.600 120.849 2 -3 0 7-75.9148 92.8079 1 -3 0 6 3383.78 257.764 1 -3 0 6 2737.31 281.421 2 -3 0 5 6.27523 90.9389 1 3 0 -4 99843.8 1806.85 1 -3 0 4 98873.5 1829.58 1 3 0 -3 161.672 131.043 1 -3 0 3 115.811 95.3022 1 -3 0 2 63352.6 1364.54 1 3 0 -2 62509.8 1363.60 1 3 0 -1 100.235 166.057 1 -3 0 1 174.992 147.070 1 -3 0 0 38141.2 1079.18 1 3 0 0 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1 -3 2 -2 58.1664 119.590 2 3 2 2-45.8880 164.721 1 3 2 3 426.848 181.996 1 3 2 4 819.213 240.882 1 3 2 5 11901.4 704.330 1 3 2 6 6587.42 565.168 1 3 2 7 8088.61 649.975 1 3 -2 8 781.577 260.922 1 3 2 8 970.278 271.848 1 3 -2 9 1643.65 369.374 1 3 2 9 1617.95 331.842 1 3 2 10 357.839 207.588 1 3 -2 10 162.656 233.307 1 3 -2 11 284.964 274.074 1 3 2 11 576.874 266.063 1 -3 -3 12-150.787 170.809 2 -3 -3 11 493.037 217.408 2 -3 -3 10 21884.1 1070.27 2 -3 3 10 22456.0 900.746 2 -3 -3 9 2452.43 338.250 2 -3 3 9 2010.77 250.663 2 -3 -3 8 851.523 212.282 2 -3 3 8 893.344 154.863 2 -3 3 8 1110.71 127.496 1 -3 -3 7 25927.0 908.699 1 -3 3 7 25525.5 842.487 2 -3 -3 7 26579.5 1047.54 2 -3 3 7 25058.7 613.106 1 -3 -3 6 6.92587 120.526 2 -3 3 6 133.298 117.465 2 -3 -3 6-18.2586 95.3963 1 -3 3 6 109.217 64.6411 1 -3 -3 5 52.0326 111.184 1 -3 3 5-54.8719 68.6366 1 -3 -3 5 10.5025 120.697 2 3 -3 -4 852.534 126.252 1 3 3 -4 758.307 187.263 1 -3 3 4 1261.39 173.969 1 -3 -3 4 741.592 158.877 1 3 3 -3 51229.7 1254.45 1 -3 3 3 49981.0 1078.74 1 -3 -3 3 52335.0 1277.78 1 3 -3 -3 50695.6 1064.90 1 3 3 -2 24248.0 813.372 1 3 -3 -2 25083.8 734.002 1 -3 -3 2 23877.1 815.769 1 3 3 -1 9153.84 499.777 1 3 -3 -1 8012.03 431.616 1 -3 -3 1 8898.53 491.556 1 3 3 0 2685.95 315.623 1 3 -3 0 2500.12 271.786 1 -3 -3 0 2509.14 277.909 1 3 -3 1 7495.03 477.416 1 -3 -3 -1 8446.25 534.968 1 3 3 1 7023.75 464.598 1 -3 3 -1 7534.80 497.573 2 -3 -3 -2 154.038 149.243 1 -3 3 -2-64.5205 124.089 2 3 3 2 45.4921 154.867 1 3 3 3 8611.97 563.122 1 3 3 4 27082.9 1045.68 1 3 3 5 6632.67 530.482 1 3 3 6 2083.47 322.266 1 3 3 7 262.670 215.211 1 3 3 8 5.31124 163.115 1 3 -3 9 1699.22 367.329 1 3 3 9 1224.01 303.889 1 3 -3 10 146.551 185.902 1 3 3 10 420.633 255.473 1 -3 -4 12 644.512 241.067 2 -3 -4 11 1926.60 365.426 2 -3 -4 10 5379.72 549.980 2 -3 4 9 4185.50 338.929 2 -3 -4 9 3664.31 436.058 2 -3 -4 8 134.502 130.331 2 -3 4 8 166.482 96.5920 2 -3 4 8 73.4649 36.0002 1 -3 -4 7 5234.45 467.143 2 -3 4 7 5523.66 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21945.9 1085.20 2 -3 6 8 20430.8 647.377 2 -3 -6 7 18643.1 942.147 2 -3 6 7 18260.6 581.251 2 -3 6 6 49228.0 1047.39 2 -3 -6 6 49416.6 1540.06 2 -3 -6 5 567.486 209.540 2 -3 -6 4 13754.8 671.331 1 -3 -6 4 13756.5 726.336 2 3 -6 -4 13857.3 388.842 1 -3 -6 3 9003.79 530.191 1 3 6 -3 8815.01 546.179 1 3 -6 -3 8583.93 349.657 1 3 6 -2 11984.5 613.744 1 3 -6 -2 11251.6 469.536 1 -3 -6 2 12285.6 612.815 1 3 6 -1 680.173 201.109 1 -3 -6 1 695.792 180.035 1 -3 6 1 448.386 134.830 2 3 6 0 44977.1 1282.45 1 -3 -6 0 43010.7 1256.32 1 -3 6 0 43811.2 1228.26 2 3 6 1 2190.59 295.389 1 -3 6 -1 2364.66 289.253 2 -3 -6 -1 1889.90 264.681 1 3 6 2 11894.9 666.249 1 3 6 3 13555.8 713.458 1 3 6 4 16974.0 799.841 1 3 6 5 571.268 198.772 1 3 6 6 15668.5 862.953 1 3 6 7 2415.88 382.054 1 3 6 8 8335.32 690.879 1 3 6 9 402.129 229.480 1 3 6 10-154.593 210.433 1 -3 -7 12 566.982 247.759 2 -3 -7 11 506.875 247.938 2 -3 -7 10-110.468 178.318 2 -3 -7 9 25212.0 1197.88 2 -3 -7 8 7896.72 658.928 2 -3 7 8 6882.99 317.690 2 -3 -7 7 797.658 242.379 2 -3 7 7 961.575 113.244 2 -3 7 6 161.950 59.6953 2 -3 -7 6 838.294 250.570 2 -3 -7 5 787.464 225.194 2 3 -7 -4 5.81934 42.5901 1 -3 -7 4 19.7068 122.407 2 3 7 -3 29011.8 1011.21 1 3 -7 -3 29058.2 744.084 1 3 7 -2 997.036 227.573 1 -3 7 2 1069.02 163.572 2 3 7 -1 9810.48 575.484 1 -3 7 1 8690.42 481.827 2 -3 -7 1 9498.31 568.401 1 3 7 0 8459.42 540.223 1 -3 7 0 8313.44 503.215 2 -3 7 -1 151.695 130.047 2 3 7 1 308.158 196.153 1 3 7 2 43645.5 1331.82 1 3 7 3 20411.0 921.717 1 3 7 4 9238.20 619.031 1 3 7 5 6262.72 524.697 1 3 7 6 383.952 207.374 1 3 7 7 1480.23 309.393 1 3 7 8 4048.49 475.195 1 3 7 9 1168.45 307.675 1 -3 -8 12 209.362 266.179 2 -3 -8 11-10.0603 178.590 2 -3 -8 10 174.446 193.932 2 -3 -8 9 1895.46 354.000 2 -3 -8 8 532.477 241.639 2 -3 8 7 8541.21 277.799 2 -3 -8 7 9231.26 686.120 2 -3 -8 6 8948.50 656.801 2 -3 8 6 8619.82 292.587 2 -3 -8 5 1434.67 288.765 2 -3 -8 4 4332.12 435.108 2 3 -8 -4 5589.24 242.839 1 -3 8 4 4786.20 277.373 2 3 -8 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9 0 8225.92 504.651 2 3 9 1 151.500 182.645 1 3 9 2 1982.32 287.880 1 3 9 3 1975.35 298.348 1 3 -9 3 2235.47 342.716 2 3 -9 4 21248.2 1071.58 2 3 9 4 19901.2 950.471 1 3 9 5 910.314 241.115 1 3 -9 5 1120.60 290.914 2 3 9 6 6988.97 600.173 1 3 -9 6 7302.45 695.847 2 3 9 7 2898.91 395.879 1 3 -9 7 3250.08 497.046 2 3 9 8 106.425 161.765 1 3 9 9 2075.48 379.944 1 -3 -10 11 419.617 267.904 2 -3 -10 10 2039.27 398.552 2 -3 -10 9 9833.41 802.916 2 -3 -10 8 17192.7 1088.99 2 -3 -10 7 5131.46 542.545 2 -3 -10 6 2683.69 400.144 2 -3 -10 5 2798.62 371.180 2 -3 10 5 2719.72 133.725 2 -3 -10 4 9838.96 691.182 2 3 -10 -4 9789.56 353.966 1 -3 10 4 10279.9 378.960 2 -3 -10 3 5818.02 513.404 2 -3 10 3 6477.58 346.754 2 3 10 -2 3367.53 383.560 1 -3 10 2 3329.70 284.827 2 3 10 -1 35.6200 156.223 1 -3 10 1-4.43936 77.4406 2 -3 10 0 208.217 120.759 2 3 10 0 6.26452 178.701 1 3 10 1 13183.4 734.053 1 3 10 2 1795.91 299.775 1 3 -10 2 2106.98 318.734 2 3 -10 3 2533.83 373.562 2 3 10 3 1955.47 299.921 1 3 -10 4 865.162 237.764 2 3 10 4 502.068 233.584 1 3 -10 5 4933.50 546.919 2 3 10 5 5741.70 528.505 1 3 10 6 667.893 204.899 1 3 -10 6 870.449 301.914 2 3 -10 7 27382.7 1438.82 2 3 10 7 24384.1 1152.30 1 3 10 8 1635.37 333.832 1 3 -10 8 1099.92 360.146 2 -3 -11 11 987.257 332.421 2 -3 -11 10 557.933 285.755 2 -3 -11 9 14847.0 974.100 2 -3 -11 8 1672.38 388.709 2 -3 -11 7 4980.75 552.963 2 -3 -11 6 12.6437 184.334 2 -3 -11 5 7655.08 632.370 2 -3 -11 4 1182.64 265.779 2 -3 11 4 1475.90 136.783 2 -3 -11 3 26922.6 1142.02 2 -3 11 3 27981.0 766.224 2 3 11 -2 2826.95 384.184 1 -3 11 2 3016.51 260.802 2 3 11 -1 12010.8 711.200 1 -3 11 1 12798.0 601.611 2 3 11 0 2060.74 315.368 1 -3 11 0 2112.27 272.775 2 3 11 1 8697.99 607.598 1 3 11 2 22025.0 980.527 1 3 -11 2 19365.9 954.965 2 3 11 3 26028.5 1087.28 1 3 -11 3 26638.6 1184.99 2 3 11 4 9618.67 673.887 1 3 -11 4 9673.01 744.206 2 3 11 5 10824.0 722.146 1 3 -11 5 10510.8 810.636 2 3 -11 6 4986.67 606.760 2 3 11 6 4429.72 487.532 1 3 11 7 517.765 212.456 1 3 -11 7 963.684 373.772 2 3 11 8 213.426 167.621 1 3 -11 8 411.411 256.610 2 -3 -12 10 1509.25 374.105 2 -3 -12 9 845.848 310.284 2 -3 -12 8 7039.58 703.046 2 -3 -12 7 2403.73 422.854 2 -3 -12 6 51508.8 1799.64 2 -3 -12 5 1300.94 299.836 2 -3 -12 4 643.056 238.929 2 -3 12 4 470.442 76.6534 2 -3 -12 3 510.705 215.080 2 -3 12 3 364.525 101.123 2 -3 -12 2 7095.98 588.174 2 -3 12 2 8624.37 454.128 2 3 12 -1 13848.4 785.597 1 -3 12 1 12746.0 612.755 2 3 12 0 33207.4 1233.70 1 3 12 1 15682.8 849.770 1 3 -12 1 15099.3 809.056 2 3 12 2 1722.56 315.034 1 3 -12 2 1702.56 302.399 2 3 12 3 1445.57 294.102 1 3 -12 3 1709.00 321.154 2 3 12 4 122.898 186.166 1 3 -12 4 290.872 249.284 2 3 12 5 6415.81 560.358 1 3 -12 5 5604.60 615.997 2 3 12 6 36105.0 1403.80 1 3 -12 6 37812.9 1667.75 2 3 -12 7 461.265 275.033 2 3 12 7 549.900 239.843 1 3 -12 8 289.889 251.502 2 3 12 8 440.546 217.696 1 -3 -13 10 5340.27 662.869 2 -3 -13 9 353.255 224.214 2 -3 -13 8 16352.0 1076.91 2 -3 -13 7 9928.33 820.125 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470.972 1 3 -15 5 4719.43 583.561 2 3 15 6 1796.00 345.695 1 3 -15 6 2271.83 465.857 2 3 15 7 2084.20 362.604 1 3 -15 7 1960.61 466.651 2 -3 -16 9 1076.10 341.175 2 -3 -16 8 775.713 305.881 2 -3 -16 7 158.757 224.111 2 -3 -16 6 92.4326 173.277 2 -3 -16 5 739.166 232.105 2 -3 -16 4 6931.79 672.484 2 -3 -16 3 1196.30 306.389 2 -3 -16 2 3679.08 466.076 2 -3 -16 1 13160.6 830.143 2 -3 -16 0 10051.3 711.137 2 3 -16 0 9485.78 645.040 2 3 16 1 6690.50 609.011 1 3 -16 1 7408.44 601.376 2 3 -16 2 2027.41 364.630 2 3 16 2 2225.95 359.604 1 3 16 3 4043.77 470.844 1 3 -16 3 3586.94 467.594 2 3 16 4 5087.62 527.446 1 3 -16 4 5590.62 619.214 2 3 -16 5 221.288 244.809 2 3 16 5 15.2641 165.450 1 3 16 6 4686.97 523.106 1 3 -16 6 6183.00 712.583 2 3 -16 7 166.120 201.283 2 -3 -17 8 467.418 238.494 2 -3 -17 7 136.140 190.861 2 -3 -17 6-173.541 188.811 2 -3 -17 5 168.915 234.578 2 -3 -17 4 177.395 228.980 2 -3 -17 3 12127.7 861.539 2 -3 -17 2 4059.46 497.123 2 -3 -17 1 1371.14 318.522 2 -3 -17 0 7027.01 614.009 2 3 -17 0 7645.70 609.187 2 3 -17 1-175.206 190.841 2 3 17 1-51.5892 179.668 1 -3 -17 -1 53.2432 157.043 2 3 -17 2 1707.77 333.919 2 3 17 2 1627.51 324.114 1 3 -17 3 3448.72 467.525 2 3 17 3 3882.59 459.840 1 3 17 4 6798.55 633.570 1 3 -17 4 7754.37 736.190 2 3 17 5 777.395 255.438 1 3 -17 5 1197.04 342.301 2 3 17 6 1221.46 294.490 1 3 -17 6 1291.10 359.991 2 -3 -18 7 2164.38 443.252 2 -3 -18 6 718.718 336.426 2 -3 -18 5 1566.98 382.721 2 -3 -18 4 8983.52 774.385 2 -3 -18 3 3422.20 473.095 2 -3 -18 2 1456.13 328.953 2 -3 -18 1 315.688 217.699 2 -3 -18 0 14799.8 915.755 2 3 -18 0 17048.8 917.151 2 -3 -18 -1 1624.30 302.447 2 3 -18 1 2331.60 365.885 2 3 18 2 6408.73 625.719 1 -3 -18 -2 5636.50 537.405 2 3 -18 2 6036.86 606.184 2 3 18 3 5895.78 583.893 1 3 -18 3 5683.06 621.919 2 3 -18 4 803.251 261.704 2 3 18 4 1643.59 324.926 1 3 -18 5 1426.22 337.385 2 3 18 5 1261.26 314.521 1 3 -18 6 3357.30 559.484 2 -3 -19 7 2194.86 452.807 2 -3 -19 6-243.940 241.470 2 -3 -19 5 6498.42 717.134 2 -3 -19 4-156.629 240.106 2 -3 -19 3 2358.59 405.563 2 -3 -19 2 18419.9 1082.04 2 -3 -19 1-28.0875 169.719 2 -3 -19 0-20.8446 157.495 2 3 -19 0-34.8674 134.041 2 3 -19 1 425.420 199.453 2 -3 -19 -1 197.067 177.962 2 -3 -19 -2 1133.47 266.533 2 3 -19 2 1455.63 311.312 2 3 19 3 864.437 272.257 1 3 -19 3 708.761 259.812 2 -3 -19 -3 1058.48 240.820 2 3 19 4 1411.05 334.125 1 3 -19 4 1668.92 360.186 2 3 19 5 3088.16 452.466 1 3 -19 5 2915.72 492.040 2 -3 -20 6 337.490 252.076 2 -3 -20 5 398.581 285.577 2 -3 -20 4 38.8178 186.670 2 -3 -20 3 5311.39 622.425 2 -3 -20 2 206.727 219.328 2 -3 -20 1 420.989 202.874 2 -3 -20 0 3933.01 492.306 2 3 -20 0 3271.20 425.387 2 -3 -20 -1 235.839 161.731 2 3 -20 1 39.6585 151.653 2 -3 -20 -2-56.8844 130.503 2 3 -20 2-38.2588 144.298 2 3 -20 3-3.55571 201.251 2 3 -20 4 2053.57 440.580 2 3 20 5 1259.63 309.295 1 3 -20 5 1268.55 369.593 2 -3 -21 6 626.505 313.071 2 -3 -21 5 3863.97 622.645 2 -3 -21 4 2071.10 438.535 2 -3 -21 3 848.986 289.366 2 -3 -21 2 2079.54 405.520 2 -3 -21 1 239.586 217.767 2 -3 -21 0 959.998 264.876 2 3 -21 0 1182.73 274.770 2 -3 -21 -1 204.189 189.327 2 3 -21 1 27.1711 143.462 2 3 -21 2 265.439 192.727 2 3 -21 3 138.826 197.418 2 3 -21 4 363.065 246.966 2 -3 -22 5 1391.02 375.239 2 -3 -22 4 2429.57 470.658 2 -3 -22 3 11356.9 938.674 2 -3 -22 2 963.255 312.738 2 -3 -22 1 847.771 280.505 2 -3 -22 0 824.315 274.588 2 3 -22 1 1373.45 326.647 2 3 -22 2 312.538 222.905 2 3 -22 3 1966.75 390.248 2 3 -22 4 1223.66 357.469 2 -3 -23 4 983.611 329.406 2 -3 -23 3 6282.80 723.380 2 -3 -23 2 627.486 285.338 2 -3 -23 1 1634.03 353.632 2 -3 -23 0 452.933 201.759 2 3 -23 2 1127.50 315.404 2 3 -23 3 2195.39 420.851 2 -3 -24 3 997.215 356.012 2 -3 -24 2-6.43821 188.903 2 -3 -24 1 1279.65 347.807 2 3 -24 3 196.093 189.122 2 -3 -25 2 1055.24 347.149 2 -4 0 11 48.5583 129.006 2 -4 0 10 533.851 197.870 2 -4 0 9 53.6720 109.645 2 -4 0 8 1204.93 237.261 2 -4 0 8 385.239 114.707 1 -4 0 7 137.487 147.037 2 -4 0 7 209.677 121.461 1 -4 0 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2 -4 2 9 65.5258 97.5282 2 -4 -2 8-40.5833 121.479 2 -4 2 8 57.1235 87.3596 2 -4 -2 7 3780.66 342.150 1 -4 2 7 3308.63 343.922 2 -4 -2 7 3933.60 413.724 2 -4 2 7 3855.86 278.228 1 -4 -2 6 76.4969 103.350 1 -4 2 6 176.422 89.4973 1 -4 -2 6 77.3331 146.666 2 4 2 -5 1680.52 245.018 1 -4 -2 5 1708.38 234.658 1 -4 2 5 1471.18 188.922 1 4 -2 -5 1621.19 193.917 1 -4 -2 4 456.374 156.751 1 -4 2 4 224.240 142.470 1 4 2 -4-75.1157 143.124 1 4 -2 -4 57.0941 126.817 1 4 2 -3 6218.09 432.343 1 -4 -2 3 6530.69 451.137 1 4 -2 -3 5704.50 383.106 1 -4 2 3 5720.40 402.210 1 4 2 -2 6907.62 471.206 1 -4 -2 2 6818.79 477.005 1 4 -2 -2 6437.73 433.850 1 -4 -2 1 21728.4 852.778 1 4 -2 -1 23342.3 883.334 1 4 2 -1 23883.6 911.598 1 4 -2 0 9282.50 540.070 1 4 2 0 10288.8 595.751 1 4 -2 1 929.766 230.612 1 4 2 1 941.217 242.131 1 4 -2 2 4332.08 493.973 1 4 2 2 3779.53 429.252 1 4 -2 3 5034.40 488.871 1 4 2 3 5054.50 490.737 1 4 -2 4 18155.5 955.671 1 4 2 4 18127.8 938.460 1 4 -2 5 985.528 300.579 1 4 2 5 668.193 237.171 1 4 -2 6 15554.5 965.959 1 4 2 6 15050.3 914.117 1 4 2 7 429.494 187.678 1 4 -2 7 1072.57 311.453 1 4 -2 8 1246.40 354.896 1 4 2 8 1102.61 311.000 1 4 -2 9-9.97221 184.409 1 4 2 9-172.129 211.209 1 4 2 10 1928.47 419.507 1 -4 -3 12 8168.35 720.395 2 -4 -3 11 1723.40 340.636 2 -4 -3 10 324.983 201.754 2 -4 3 10-124.224 128.878 2 -4 -3 9 6506.06 582.386 2 -4 3 9 6964.45 502.709 2 -4 -3 8 2122.95 323.546 2 -4 3 8 1820.45 248.173 2 -4 3 7 175.490 162.005 2 -4 -3 7 34.7015 161.603 2 -4 3 7-66.1759 66.0909 1 -4 -3 6 136.550 132.311 1 -4 3 6 147.597 101.558 1 -4 -3 6-195.745 172.794 2 -4 -3 5 213.581 98.9178 1 -4 3 5 590.355 148.021 1 4 3 -5 239.728 160.261 1 4 -3 -5 367.065 118.775 1 -4 -3 4 349.921 139.397 1 -4 3 4 517.470 140.302 1 4 -3 -4 364.957 122.801 1 4 3 -4 293.124 150.142 1 4 3 -3 24982.6 921.157 1 -4 -3 3 24067.9 891.294 1 4 -3 -3 23716.2 791.288 1 4 3 -2 102373. 2231.32 1 4 -3 -2 106207. 2112.35 1 4 -3 -1 6418.39 456.309 1 4 3 -1 6562.78 486.202 1 4 -3 0 39813.9 1216.80 1 4 3 0 39849.7 1260.76 1 4 3 1 770.253 203.389 1 4 -3 1 588.235 194.380 1 4 -3 2 20569.9 931.423 1 4 3 2 18881.9 909.805 1 4 -3 3 1105.13 253.092 1 4 3 3 399.859 230.995 1 4 -3 4 22076.7 1067.34 1 4 3 4 22858.1 1086.17 1 4 -3 5 185.155 209.705 1 4 3 5 221.909 182.418 1 4 -3 6 915.203 279.433 1 4 3 6 828.122 294.589 1 4 -3 7 2362.78 452.423 1 4 3 7 2392.12 398.082 1 4 -3 8 1306.64 329.356 1 4 3 8 1210.40 311.495 1 4 -3 9 360.541 248.422 1 4 3 9 289.727 231.244 1 4 3 10 1630.26 380.917 1 -4 -4 12 706.573 280.457 2 -4 -4 11 2800.22 414.398 2 -4 -4 10 3886.90 496.721 2 -4 -4 9 1479.19 298.921 2 -4 4 9 1844.93 253.330 2 -4 -4 8 5405.50 530.972 2 -4 4 8 4657.39 383.473 2 -4 4 7 981.986 175.246 2 -4 -4 7 1028.29 257.746 2 -4 4 7 694.450 94.9185 1 -4 4 6 259.156 99.6927 1 -4 -4 6-25.9235 147.299 2 4 4 -5 1809.10 266.563 1 4 -4 -5 1678.66 174.586 1 4 4 -4 13930.6 680.363 1 4 -4 -4 13771.0 540.384 1 4 4 -3 96506.8 2082.49 1 4 -4 -3 89268.6 1766.53 1 4 4 -2 80578.2 1902.94 1 4 -4 -2 80832.9 1746.61 1 4 4 -1 27650.4 1020.35 1 4 -4 -1 25747.2 880.927 1 4 4 0 2101.99 327.875 1 4 -4 0 2634.81 350.807 1 4 4 1 2269.06 331.853 1 4 -4 1 1957.88 315.325 1 4 4 2 602.983 224.106 1 4 -4 2 1094.92 271.447 1 4 -4 3 1443.12 336.764 1 4 4 3 864.567 226.831 1 4 -4 4 3345.88 428.073 1 4 4 4 2713.52 394.283 1 4 -4 5 1680.50 340.620 1 4 4 5 885.384 277.416 1 4 -4 6 9657.15 778.545 1 4 4 6 10421.3 787.334 1 4 -4 7 3839.79 516.646 1 4 4 7 3195.80 460.358 1 4 -4 8 2024.42 448.798 1 4 4 8 643.197 259.820 1 4 -4 9 463.451 276.676 1 4 4 9 448.747 258.744 1 4 4 10 152.565 203.773 1 -4 -5 13 353.684 220.952 2 -4 -5 12 3114.29 473.394 2 -4 -5 11 197.572 180.137 2 -4 -5 10 1114.51 298.295 2 -4 -5 9 4712.66 526.156 2 -4 5 9 4531.36 357.888 2 -4 -5 8 4288.45 480.855 2 -4 5 8 4855.37 365.162 2 -4 5 7 119.656 89.1365 2 -4 -5 7-139.218 175.213 2 -4 -5 6 1161.95 270.486 2 4 -5 -5 17580.1 552.838 1 4 5 -5 17344.8 792.220 1 4 -5 -4 69.4223 101.562 1 4 5 -4-28.4897 148.073 1 4 5 -3 4577.48 425.253 1 4 -5 -3 5091.95 353.114 1 4 5 -2 94519.1 2128.60 1 4 -5 -2 89949.9 1863.59 1 4 -5 -1 1439.12 251.244 1 4 5 -1 1471.28 276.693 1 4 -5 0-0.59438 144.927 1 4 5 0 96.3722 152.833 1 4 -5 1 18582.3 848.110 1 4 5 1 18361.6 882.632 1 4 5 2 26087.6 1080.84 1 4 5 3 40643.0 1372.25 1 4 5 4 4802.76 507.348 1 4 5 5 1378.07 313.343 1 4 5 6 1648.44 354.257 1 4 5 7 8106.07 722.136 1 4 -5 8 6760.73 734.464 1 4 5 8 5302.21 599.741 1 4 -5 9 5632.21 686.114 1 4 5 9 4598.45 581.075 1 4 5 10 2015.94 426.354 1 -4 -6 13 234.437 183.428 2 -4 -6 12 1431.19 355.543 2 -4 -6 11 7597.92 690.283 2 -4 -6 10 2737.24 450.221 2 -4 -6 9 420.267 223.888 2 -4 -6 8 12340.3 831.537 2 -4 6 8 12597.6 562.722 2 -4 6 7 410.026 129.319 2 -4 -6 7 616.307 244.654 2 -4 -6 6 1283.84 264.506 2 4 -6 -5 37301.1 838.797 1 4 6 -4 18169.9 847.276 1 4 -6 -4 17947.7 603.040 1 4 6 -3 20358.1 897.883 1 4 -6 -3 21102.9 724.318 1 4 6 -2 10221.5 640.743 1 4 -6 -2 9727.38 502.997 1 4 6 -1 7891.62 563.958 1 4 -6 -1 7827.89 496.696 1 -4 6 1 7593.24 537.609 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13612.2 850.739 2 -4 9 5 14155.2 576.140 2 4 -9 -5 13012.7 407.971 1 4 9 -4 34602.8 1289.90 1 4 -9 -4 34709.2 895.487 1 -4 9 4 34540.5 996.103 2 4 -9 -3 1485.29 230.561 1 -4 9 3 1399.76 207.068 2 4 9 -3 944.401 258.521 1 4 9 -2 12493.5 739.818 1 4 -9 -2 12413.9 601.188 1 -4 9 2 11639.6 619.832 2 4 9 -1 15122.9 828.298 1 4 9 0 14122.3 813.185 1 4 9 1 2775.30 394.289 1 4 9 2 2218.73 352.755 1 4 9 3 3083.50 412.695 1 4 9 4 5040.14 523.032 1 4 9 5 1157.35 326.394 1 4 9 6 6258.19 623.634 1 4 9 7 736.858 284.837 1 4 9 8 21292.0 1205.76 1 4 9 9 1022.83 310.105 1 -4 -10 11 34.0999 173.278 2 -4 -10 10 1842.97 422.214 2 -4 -10 9 1155.34 345.431 2 -4 -10 8 787.010 289.630 2 -4 -10 7 2410.58 426.221 2 -4 -10 6 41249.4 1598.92 2 -4 -10 5 2153.72 382.018 2 -4 10 5 2318.12 217.765 2 4 -10 -5 1970.68 151.193 1 -4 10 4 1854.84 216.575 2 4 -10 -4 1793.25 180.797 1 -4 -10 4 1767.53 341.724 2 4 10 -3 2.82748 182.249 1 4 -10 -3-21.8634 95.1576 1 -4 10 3-171.995 120.242 2 4 10 -2 8069.82 618.217 1 -4 10 2 7024.85 476.582 2 4 10 -1 1405.76 306.574 1 4 10 0 394.663 177.612 1 4 10 1 84.3390 194.866 1 4 10 2 1457.60 333.977 1 4 10 3 9074.26 699.621 1 4 10 4-313.664 208.239 1 4 10 5-291.600 267.938 1 4 10 6 1699.81 361.772 1 4 10 7 5307.02 576.819 1 4 10 8 84.0960 220.391 1 4 10 9 54.8287 173.036 1 -4 -11 10 91.4993 250.394 2 -4 -11 9 1882.97 408.147 2 -4 -11 8 2630.65 453.038 2 -4 -11 7 11732.5 869.577 2 -4 -11 6 1058.34 313.241 2 -4 -11 5 12558.3 850.276 2 4 -11 -5 12663.7 396.823 1 -4 -11 4 7840.30 669.863 2 4 -11 -4 8460.28 410.174 1 -4 11 4 7714.99 420.015 2 4 11 -3 18725.2 975.690 1 4 -11 -3 18526.3 711.423 1 -4 11 3 19518.7 747.062 2 4 11 -2 3990.95 463.487 1 -4 11 2 3765.69 349.942 2 4 11 -1 17930.5 932.546 1 4 11 0 3780.53 452.977 1 4 11 1 1997.10 326.450 1 4 11 2 11841.2 782.692 1 4 11 3 22552.8 1111.35 1 4 11 4 290.547 193.045 1 4 11 5 185.775 167.958 1 4 11 6 1919.92 386.275 1 4 11 7 10836.0 838.868 1 4 11 8 947.005 307.201 1 -4 -12 10 28.5273 226.698 2 -4 -12 9 1512.31 381.170 2 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5827.87 583.386 1 4 13 4 4895.24 542.460 1 4 13 5 19636.9 1107.60 1 4 13 6 2163.03 405.604 1 4 13 7-123.242 235.227 1 -4 -14 9 967.773 347.228 2 -4 -14 8 645.200 271.853 2 -4 -14 7 613.263 272.524 2 -4 -14 6 5657.14 632.314 2 -4 -14 5 5899.50 629.258 2 -4 -14 4 1153.96 329.637 2 4 -14 -4 1422.05 185.834 1 -4 -14 3 1325.95 336.952 2 4 14 -2 6608.19 615.424 1 4 14 -1 1347.98 320.382 1 4 14 0 854.985 289.607 1 4 14 1 6551.82 617.238 1 4 14 2 7552.75 665.931 1 4 14 3 10.3933 174.870 1 4 14 4 211.596 184.966 1 4 14 5 518.157 265.806 1 4 14 6-360.961 262.869 1 4 14 7-266.180 235.748 1 -4 -15 8 2872.79 501.305 2 -4 -15 7 164.169 220.668 2 -4 -15 6 1552.57 382.669 2 -4 -15 5 595.620 228.571 2 -4 -15 4 49.1931 173.583 2 -4 -15 3 2637.79 432.152 2 -4 -15 2 4690.19 542.228 2 4 15 -1 901.487 293.800 1 4 15 0 8999.93 732.731 1 4 15 1-120.150 179.961 1 4 15 2 112.091 190.300 1 4 15 3 3092.56 437.141 1 4 15 4 2396.23 390.457 1 4 15 5 173.251 205.339 1 4 15 6 430.970 245.500 1 4 15 7 466.927 227.882 1 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1 426.333 256.569 1 4 18 2 1028.27 313.005 1 4 18 3 720.380 278.037 1 4 18 4 217.326 242.604 1 4 18 5 508.568 300.139 1 4 18 6 91.8866 167.128 1 -4 -19 6 481.009 281.130 2 -4 -19 5 194.344 252.502 2 -4 -19 4 1102.24 336.055 2 -4 -19 3 1023.09 316.204 2 -4 -19 2 5953.35 655.810 2 -4 -19 1 1306.48 332.542 2 -4 -19 0 2531.23 422.712 2 4 19 1 7398.96 721.194 1 -4 -19 -1 6474.46 650.472 2 4 19 2-88.1239 178.384 1 4 19 3 3764.42 521.270 1 4 19 4 3602.14 515.281 1 4 19 5 1865.19 396.929 1 -4 -20 5-111.692 208.938 2 -4 -20 4 198.240 238.125 2 -4 -20 3 106.612 202.508 2 -4 -20 2 1540.20 371.375 2 -4 -20 1 5702.41 650.820 2 -4 -20 0 152.283 199.094 2 -4 -20 -1 1097.20 288.690 2 4 20 2 807.630 277.709 1 -4 -20 -2 1337.12 330.636 2 4 20 3-63.3487 193.092 1 4 20 4 896.780 307.657 1 4 20 5 489.516 252.390 1 -4 -21 4 1886.66 435.425 2 -4 -21 3 635.087 291.072 2 -4 -21 2 464.925 192.703 2 -4 -21 1 1716.81 365.572 2 -4 -21 0 4098.53 548.055 2 -4 -21 -1 171.961 210.618 2 4 21 4 611.140 276.025 1 -4 -22 4 610.261 282.028 2 -4 -22 3 761.523 296.487 2 -4 -22 2 596.862 263.539 2 -4 -22 1-188.683 200.426 2 -4 -22 0 1471.52 348.294 2 -4 -23 3 1070.09 320.419 2 -4 -23 2 1087.32 368.542 2 -4 -23 1 108.194 178.148 2 -4 -23 0 376.600 199.548 2 -4 -24 2 194.148 235.401 2 -4 -24 1 80.9546 212.174 2 -5 0 10 1338.42 272.460 2 -5 0 9 27.3156 134.618 2 -5 0 8 9314.34 654.106 2 -5 0 7 96.6861 119.460 1 5 0 -6 1692.24 239.993 1 -5 0 6 1796.80 262.790 1 5 0 -5-33.6140 112.986 1 -5 0 5 134.071 122.097 1 5 0 -4 19268.1 820.529 1 5 0 -3-90.5720 152.003 1 5 0 -2 313.056 175.929 1 5 0 -1-32.6979 155.195 1 5 0 0 8382.12 607.800 1 5 0 1 173.280 240.955 1 5 0 2 23.1762 188.874 1 5 0 3 136.041 208.773 1 5 0 4 1790.16 360.831 1 5 0 5 115.953 226.069 1 5 0 6 6275.21 639.033 1 5 0 7-90.7585 204.476 1 5 0 8 299.965 278.279 1 -5 -1 11 4860.42 552.091 2 -5 -1 10 237.452 162.068 2 -5 1 10 46.8507 109.554 2 -5 -1 9 1201.03 273.397 2 -5 1 9 1308.66 247.453 2 -5 1 8 623.528 203.868 2 -5 -1 8 888.319 218.778 2 -5 1 7 1216.01 208.971 1 -5 -1 7 845.594 244.690 2 5 1 -6 98.1500 128.804 1 5 -1 -6 75.9250 114.629 1 -5 1 6 261.813 123.957 1 5 -1 -5 5369.83 410.946 1 5 1 -5 5346.40 431.839 1 -5 1 5 4991.19 396.773 1 5 1 -4 359.772 190.237 1 -5 1 4 236.289 146.270 1 5 -1 -4 153.256 156.271 1 5 -1 -3-84.1381 131.672 1 5 1 -3 64.9581 157.887 1 5 -1 -2 5919.28 469.296 1 5 1 -2 4932.91 450.897 1 5 1 -1 218.011 199.196 1 5 -1 -1 107.363 177.162 1 5 1 0 2498.67 337.243 1 5 -1 0 2400.52 352.309 1 5 -1 1 8207.25 629.980 1 5 1 1 7894.12 635.059 1 5 -1 2 3164.55 424.194 1 5 1 2 3731.29 457.927 1 5 -1 3 110.497 174.576 1 5 1 3 57.0988 198.656 1 5 -1 4 92.7430 205.214 1 5 1 4 63.3107 196.382 1 5 -1 5 119.706 184.960 1 5 1 5 136.088 171.540 1 5 -1 6 2657.54 441.814 1 5 1 6 4473.75 573.053 1 5 -1 7 132.241 229.846 1 5 1 7 554.837 281.891 1 5 -1 8-310.757 228.834 1 5 1 8 398.087 259.521 1 -5 -2 11 6078.06 624.141 2 -5 -2 10 2290.11 379.826 2 -5 2 10 2276.33 328.028 2 -5 -2 9 1723.93 313.320 2 -5 2 9 1136.90 247.014 2 -5 2 8 2323.26 319.026 2 -5 -2 8 2006.82 338.348 2 -5 -2 7 3060.43 404.385 2 5 -2 -6 3404.48 308.388 1 5 2 -6 3361.61 349.234 1 -5 2 6 3928.82 350.295 1 5 -2 -5 10922.4 566.553 1 5 2 -5 10190.4 605.819 1 -5 2 5 11118.5 593.151 1 5 2 -4 602.800 196.124 1 -5 2 4 394.205 137.472 1 5 -2 -4 690.690 189.571 1 5 -2 -3 1547.09 252.997 1 5 2 -3 2109.68 326.153 1 5 -2 -2 8324.91 553.557 1 5 2 -2 9728.80 634.224 1 5 -2 -1 10707.0 662.686 1 5 2 -1 10662.4 676.579 1 5 -2 0 13308.1 771.812 1 5 2 0 12567.5 748.000 1 5 2 1-28.5202 164.294 1 5 -2 1 4.85264 169.792 1 5 -2 2 75.7580 163.518 1 5 2 2 113.302 210.948 1 5 -2 3 2444.69 374.495 1 5 2 3 3745.53 474.884 1 5 -2 4 4879.56 558.470 1 5 2 4 5020.01 556.277 1 5 -2 5 4462.54 561.879 1 5 2 5 5069.78 588.361 1 5 -2 6 208.432 210.732 1 5 2 6 730.010 310.970 1 5 -2 7 770.950 322.723 1 5 2 7 722.347 280.904 1 5 -2 8 603.259 331.535 1 5 2 8 1483.94 393.005 1 -5 -3 12 1662.53 326.281 2 -5 -3 11 2049.86 386.560 2 -5 -3 10 528.477 239.054 2 -5 -3 9 4076.59 492.329 2 -5 3 9 4288.54 417.535 2 -5 3 8 4080.14 406.991 2 -5 -3 8 4279.07 489.553 2 -5 -3 7 2390.32 372.540 2 5 -3 -6 450.794 135.686 1 5 3 -6 456.178 181.457 1 -5 3 6 218.812 121.034 1 5 -3 -5 4783.70 365.796 1 5 3 -5 4855.58 440.681 1 -5 3 5 4819.95 376.272 1 5 3 -4 1897.86 294.928 1 5 -3 -4 2197.28 281.694 1 5 -3 -3 2917.25 325.457 1 5 3 -3 3033.11 371.249 1 5 3 -2 3510.48 397.888 1 5 -3 -2 3607.34 362.919 1 5 3 -1 154.733 161.852 1 5 -3 -1 272.246 209.690 1 5 3 0 837.327 252.341 1 5 -3 0 728.012 248.811 1 5 3 1 3441.63 448.831 1 5 -3 1 3152.41 380.633 1 5 3 2 483.750 195.236 1 5 -3 2 426.372 228.800 1 5 -3 3 244.584 231.929 1 5 3 3 671.295 273.166 1 5 -3 4 12986.5 949.503 1 5 3 4 10330.8 794.908 1 5 -3 5 2591.24 490.801 1 5 3 5 3197.52 510.004 1 5 -3 6 11882.5 993.176 1 5 3 6 11922.9 942.559 1 5 -3 7 494.445 259.084 1 5 3 7 880.642 316.338 1 5 -3 8 3123.27 566.295 1 5 3 8 3619.86 584.097 1 -5 -4 12 328.571 178.692 2 -5 -4 11 10247.4 858.087 2 -5 -4 10 1255.57 312.190 2 -5 -4 9 1039.48 268.454 2 -5 4 9 766.227 185.997 2 -5 4 8 1076.10 227.432 2 -5 -4 8 531.987 222.727 2 -5 -4 7 696.868 206.144 2 5 -4 -6 156.799 94.6911 1 5 4 -6 117.421 176.308 1 5 4 -5 254.245 162.840 1 5 -4 -5-170.873 161.506 1 5 4 -4 14157.0 759.163 1 5 -4 -4 14757.0 665.735 1 5 -4 -3 2230.49 283.542 1 5 4 -3 1635.72 280.516 1 5 4 -2 64.2259 170.894 1 5 -4 -2-71.6488 146.858 1 5 4 -1 13.1913 202.728 1 5 -4 -1 27.7279 157.616 1 5 -4 0 3879.74 398.266 1 5 4 0 5513.53 518.746 1 5 -4 1 23787.5 1066.68 1 5 4 1 23069.2 1086.59 1 5 4 2 1112.88 293.284 1 5 -4 2 1474.44 364.400 1 5 -4 3 6715.44 619.149 1 5 4 3 7195.72 624.112 1 5 -4 4 1504.84 348.649 1 5 4 4 1855.10 371.911 1 5 -4 5 1357.84 388.156 1 5 4 5 1191.64 343.581 1 5 -4 6 735.920 301.438 1 5 4 6 940.983 308.763 1 5 -4 7 2211.13 420.674 1 5 4 7 2647.99 461.031 1 5 4 8 130.514 221.387 1 -5 -5 12 186.445 173.600 2 -5 -5 11 195.484 206.787 2 -5 -5 10 575.258 265.476 2 -5 -5 9 1415.32 313.949 2 -5 5 8-75.7466 100.996 2 -5 -5 8-350.187 208.882 2 -5 -5 7 7396.75 643.174 2 5 -5 -6-11.9783 86.3314 1 5 5 -5 359.137 191.333 1 5 -5 -5 98.2860 101.672 1 5 -5 -4 569.391 179.319 1 5 5 -4 436.625 198.389 1 5 5 -3 5366.47 495.932 1 5 -5 -3 4799.63 395.632 1 5 5 -2 19568.1 943.923 1 5 -5 -2 18335.5 839.427 1 5 5 -1 9788.91 677.928 1 5 -5 -1 9035.15 569.215 1 5 5 0 1702.48 306.956 1 5 -5 0 1494.52 288.454 1 5 5 1 1837.14 321.771 1 5 -5 1 1840.68 361.060 1 5 -5 2 12471.0 813.199 1 5 5 2 11635.2 795.715 1 5 5 3 223.661 224.999 1 5 -5 3 289.603 229.596 1 5 -5 4 7217.32 671.872 1 5 5 4 6089.29 585.270 1 5 -5 5 12321.4 910.872 1 5 5 5 11057.8 823.646 1 5 -5 6 163.846 199.408 1 5 5 6 250.418 258.528 1 5 -5 7 453.558 269.047 1 5 5 7 782.552 302.418 1 5 5 8 1312.85 351.815 1 -5 -6 12 1120.73 283.317 2 -5 -6 11 1558.68 387.165 2 -5 -6 10 3901.30 528.481 2 -5 -6 9 403.153 207.202 2 -5 6 8 1309.21 223.202 2 -5 -6 8 1387.93 296.977 2 -5 -6 7 469.969 180.412 2 5 -6 -6 6561.56 348.679 1 5 -6 -5 17307.8 658.866 1 5 6 -5 19593.7 936.829 1 5 6 -4 42498.4 1435.39 1 5 -6 -4 41722.8 1164.70 1 5 6 -3-403.565 248.802 1 5 -6 -3 15.5657 139.215 1 5 6 -2 1623.10 326.558 1 5 -6 -2 1412.17 270.820 1 5 -6 -1 95.9930 145.528 1 5 6 -1 337.680 172.169 1 5 -6 0 3703.98 444.255 1 5 6 0 2546.26 389.674 1 5 6 1-80.8994 221.670 1 5 -6 1-5.34250 185.957 1 5 6 2 1738.24 358.475 1 5 -6 2 1500.38 310.747 1 5 6 3 287.251 232.617 1 5 -6 3 895.869 308.777 1 5 6 4 667.009 260.928 1 5 -6 4 724.746 254.420 1 5 6 5 1115.64 311.390 1 5 -6 5 1080.62 334.243 1 5 6 6 1596.55 356.738 1 5 -6 6 1313.02 350.213 1 5 6 7 1669.40 396.786 1 5 -6 7 1149.47 365.976 1 5 6 8 3290.39 526.840 1 -5 -7 12 932.088 294.776 2 -5 -7 11 179.152 254.597 2 -5 -7 10-23.8615 189.077 2 -5 -7 9 965.957 320.126 2 -5 -7 8 4915.42 573.464 2 -5 -7 7-44.3661 148.658 2 5 -7 -6 2024.46 187.683 1 -5 -7 6 1764.79 335.675 2 5 -7 -5 981.101 160.418 1 5 7 -5 1059.78 291.134 1 5 7 -4 8870.20 665.171 1 5 -7 -4 9004.76 505.761 1 5 7 -3 9748.88 697.967 1 5 -7 -3 10860.4 606.154 1 5 7 -2 4217.35 462.961 1 5 -7 -2 3753.87 359.664 1 5 -7 -1 271.777 168.971 1 5 7 -1 407.397 233.425 1 5 7 0 10973.1 752.296 1 5 -7 0 10210.5 686.572 1 5 -7 1 1805.42 315.544 1 5 7 1 1421.63 306.972 1 5 -7 2 7638.59 641.660 1 5 7 2 6468.46 621.051 1 5 7 3 303.151 244.431 1 5 -7 3 1290.17 334.771 1 5 7 4 4.08061 201.643 1 5 -7 4 99.5318 175.783 1 5 7 5 2161.84 383.001 1 5 -7 5 1714.04 347.352 1 5 7 6-48.7452 192.135 1 5 -7 6-445.837 334.207 1 5 7 7 662.061 308.644 1 5 -7 7 375.970 280.448 1 5 7 8 2004.95 435.667 1 -5 -8 11 175.655 194.704 2 -5 -8 10 293.313 222.181 2 -5 -8 9 2252.52 427.931 2 -5 -8 8 2096.82 397.537 2 -5 -8 7-200.806 209.612 2 5 -8 -6 1730.28 165.972 1 -5 -8 6 972.734 290.329 2 5 8 -5 25541.7 1139.26 1 5 -8 -5 25456.7 789.307 1 5 8 -4 31331.0 1264.26 1 5 -8 -4 29683.6 932.966 1 5 -8 -3 3500.32 344.955 1 5 8 -3 3632.75 456.147 1 5 8 -2 3727.65 451.823 1 5 -8 -2 3491.64 353.126 1 5 8 -1 2055.73 348.706 1 5 -8 -1 2024.15 312.930 1 5 -8 0 2063.21 312.209 1 5 8 0 2059.27 346.561 1 5 -8 1 2708.31 406.321 1 5 8 1 1989.21 367.153 1 5 -8 2 3299.47 439.636 1 5 8 2 3487.62 468.512 1 5 8 3 494.307 235.330 1 5 8 4 117.182 211.703 1 5 8 5 252.461 221.136 1 5 8 6 805.293 283.077 1 5 8 7 470.720 261.450 1 5 -8 7 611.643 321.955 1 5 8 8 4390.61 594.996 1 -5 -9 11 161.681 170.213 2 -5 -9 10 345.474 224.157 2 -5 -9 9 3150.05 484.246 2 -5 -9 8 7443.80 717.738 2 -5 -9 7 2394.88 406.454 2 -5 -9 6 12866.6 895.512 2 5 9 -5 3397.94 444.536 1 5 -9 -5 3803.65 292.688 1 5 -9 -4 4455.52 358.263 1 5 9 -4 4451.23 498.958 1 5 9 -3 36040.7 1386.89 1 5 -9 -3 33107.0 1070.73 1 5 -9 -2 4039.19 397.056 1 5 9 -2 4194.12 481.842 1 5 9 -1 1623.14 349.340 1 5 -9 -1 1517.67 279.658 1 5 9 0 1340.95 349.069 1 5 -9 0 1440.96 280.995 1 5 9 1 1436.40 325.924 1 5 9 2 3553.82 484.358 1 5 9 3 5765.30 592.934 1 5 9 4 1553.76 360.052 1 5 9 5 1834.96 395.858 1 5 9 6 4156.00 571.841 1 5 9 7 1894.94 416.592 1 5 9 8 129.252 213.332 1 -5 -10 10 794.537 310.264 2 -5 -10 9 4958.85 625.334 2 -5 -10 8 1185.95 354.056 2 -5 -10 7 5326.01 612.674 2 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416.112 260.763 1 5 11 5 7362.94 726.523 1 5 11 6 2922.02 465.158 1 5 11 7-240.293 195.653 1 -5 -12 9 998.648 352.295 2 -5 -12 8 6861.55 742.147 2 -5 -12 7 501.590 258.792 2 -5 -12 6 188.549 182.965 2 -5 -12 5-67.4061 192.558 2 5 12 -4 1436.74 362.141 1 5 -12 -4 1083.62 181.518 1 5 12 -3 1359.94 324.490 1 5 -12 -3 1451.77 261.293 1 5 12 -2 7290.86 669.057 1 5 -12 -2 7126.13 534.741 1 5 12 -1 1889.32 384.524 1 5 12 0-613.729 272.635 1 5 12 1-135.851 207.417 1 5 12 2 5383.18 613.384 1 5 12 3 100.906 213.791 1 5 12 4 535.054 289.716 1 5 12 5 2912.44 493.769 1 5 12 6 1166.38 362.685 1 5 12 7 89.7105 172.366 1 -5 -13 9 94.2327 210.815 2 -5 -13 8 559.599 293.560 2 -5 -13 7 7511.63 752.476 2 -5 -13 6 449.594 250.339 2 -5 -13 5 2547.73 457.475 2 -5 -13 4 6104.74 654.492 2 5 -13 -4 5963.00 400.469 1 5 -13 -3 82.1189 123.576 1 5 13 -3 511.843 234.803 1 5 13 -2 4970.35 577.583 1 5 -13 -2 4810.93 444.077 1 5 13 -1 4387.70 554.345 1 5 13 0 11163.7 848.227 1 5 13 1 4838.97 566.692 1 5 13 2 1827.38 388.546 1 5 13 3 2573.81 458.137 1 5 13 4 5602.35 635.965 1 5 13 5 6563.93 700.800 1 5 13 6 514.025 263.961 1 5 13 7 232.706 202.480 1 -5 -14 8 336.986 238.303 2 -5 -14 7 407.282 285.646 2 -5 -14 6 654.532 243.089 2 -5 -14 5 144.714 157.468 2 -5 -14 4 645.749 279.312 2 5 14 -3 4277.53 541.935 1 5 -14 -3 3893.31 377.582 1 5 14 -2 1392.30 343.168 1 5 14 -1 23524.4 1243.61 1 5 14 0 71.2869 209.094 1 5 14 1 664.973 296.438 1 5 14 2 118.612 231.680 1 5 14 3 0.92390 202.959 1 5 14 4 230.553 246.241 1 5 14 5 4811.34 613.495 1 5 14 6 1549.39 393.033 1 -5 -15 8 894.393 301.958 2 -5 -15 7-15.4857 170.739 2 -5 -15 6 108.499 190.701 2 -5 -15 5 1896.16 423.904 2 -5 -15 4 368.562 259.104 2 5 -15 -3-31.0185 122.895 1 -5 -15 3 26.4575 187.283 2 5 15 -2 2490.94 453.492 1 5 15 -1 790.563 338.784 1 5 15 0 837.911 271.008 1 5 15 1 603.237 284.402 1 5 15 2 698.376 293.055 1 5 15 3 69.2131 215.346 1 5 15 4 25.2151 224.301 1 5 15 5 1266.96 363.408 1 5 15 6 70.4733 223.993 1 -5 -16 7 4300.74 629.089 2 -5 -16 6 371.942 266.031 2 -5 -16 5 290.353 286.158 2 -5 -16 4 2062.09 447.608 2 -5 -16 3 373.655 225.280 2 5 16 -2 3582.94 525.075 1 5 16 -1 9600.06 822.576 1 5 16 0 397.386 265.081 1 5 16 1 1271.43 351.614 1 5 16 2 46.9198 175.589 1 5 16 3 1470.04 361.034 1 5 16 4 2095.59 429.755 1 5 16 5 5337.96 652.905 1 -5 -17 6 712.693 318.991 2 -5 -17 5 1387.74 347.698 2 -5 -17 4 3416.26 552.862 2 -5 -17 3-105.216 199.726 2 -5 -17 2 1976.75 404.246 2 5 17 -1 796.670 298.752 1 5 17 0 1369.89 361.843 1 5 17 1 3695.89 551.396 1 5 17 2 2453.83 463.832 1 5 17 3 4186.17 592.246 1 5 17 4 306.472 260.106 1 5 17 5 737.054 315.405 1 -5 -18 5-261.411 227.621 2 -5 -18 4 3270.25 532.258 2 -5 -18 3 3606.55 567.117 2 -5 -18 2-158.702 191.105 2 5 18 -1 348.837 254.719 1 -5 -18 1 82.1409 209.836 2 5 18 0 151.552 203.827 1 5 18 1 232.761 224.874 1 5 18 2 744.568 341.227 1 5 18 3-56.5801 186.394 1 5 18 4 1095.54 369.801 1 -5 -19 5 519.434 313.985 2 -5 -19 4 3173.99 549.144 2 -5 -19 3 831.849 302.064 2 -5 -19 2-80.7173 216.111 2 -5 -19 1-26.9323 174.819 2 5 19 0 1500.42 400.469 1 5 19 1 4230.38 582.880 1 5 19 2 1066.10 368.522 1 -5 -20 4 162.144 248.022 2 -5 -20 3 1492.63 392.465 2 -5 -20 2-144.127 211.390 2 -5 -20 1 3444.71 552.074 2 -5 -20 0 1214.60 340.689 2 -5 -21 2 309.343 231.042 2 -5 -21 1 471.868 274.824 2 -5 -21 0 1655.05 367.429 2 -5 -21 -1 1664.05 391.778 2 -5 -22 1 1136.72 362.849 2 -5 -22 0 760.079 288.001 2 -6 0 10 1274.11 293.986 2 -6 0 9-159.043 165.512 2 -6 0 8 4865.77 516.517 2 6 0 -7 250.056 151.315 1 6 0 -6 11748.3 681.260 1 6 0 -5 98.5831 161.995 1 6 0 -4-2.44194 170.288 1 6 0 -3 50.7879 159.214 1 6 0 -2 9110.47 661.922 1 6 0 -1-124.498 193.991 1 6 0 0 7389.43 604.448 1 6 0 1 10.9281 209.695 1 6 0 2 6012.22 618.133 1 6 0 3-109.016 223.904 1 6 0 4 16441.0 1093.76 1 6 0 5 143.953 214.515 1 6 0 6 365.959 238.499 1 -6 -1 10-22.9990 181.436 2 -6 1 10-25.8958 114.242 2 -6 1 9 373.584 138.052 2 -6 -1 9 762.751 238.654 2 -6 1 8 1185.63 261.246 2 -6 -1 8 574.730 212.959 2 6 -1 -7 180.068 132.742 1 6 1 -7 351.683 184.817 1 6 1 -6 1008.01 264.680 1 6 -1 -6 747.187 219.368 1 6 -1 -5 690.637 203.063 1 6 1 -5 422.043 194.707 1 6 -1 -4 1855.89 293.179 1 6 1 -4 1997.62 311.700 1 6 1 -3 8628.85 644.772 1 6 -1 -3 8160.14 596.664 1 6 -1 -2-216.067 218.087 1 6 1 -2 365.977 227.252 1 6 -1 -1 1109.10 285.228 1 6 1 -1 531.164 182.616 1 6 1 0 280.670 208.451 1 6 -1 0 587.289 273.973 1 6 1 1 3045.43 413.937 1 6 -1 1 2706.91 413.817 1 6 -1 2-58.4584 207.431 1 6 1 2 227.524 242.625 1 6 -1 3 255.809 306.783 1 6 1 3-141.097 249.624 1 6 -1 4 1931.98 440.032 1 6 1 4 868.092 294.985 1 6 -1 5 18956.6 1196.15 1 6 1 5 20452.2 1265.36 1 6 -1 6 379.176 271.668 1 6 1 6 520.876 284.739 1 -6 -2 11 227.504 173.285 2 -6 -2 10 851.425 275.596 2 -6 2 9 185.996 153.554 2 -6 -2 9 170.895 210.750 2 -6 2 8 328.696 149.970 2 -6 -2 8 864.103 275.177 2 6 -2 -7 3614.94 352.644 1 6 2 -7 3465.59 385.203 1 6 2 -6 1340.24 283.683 1 6 -2 -6 1714.65 258.532 1 6 -2 -5-42.4722 137.259 1 6 2 -5 48.3236 187.561 1 6 2 -4 3293.67 410.822 1 6 -2 -4 3081.92 357.093 1 6 2 -3 12907.3 782.533 1 6 -2 -3 12840.5 752.739 1 6 -2 -2-261.361 217.172 1 6 2 -2 176.677 167.792 1 6 2 -1 157.847 188.222 1 6 -2 -1 517.325 210.222 1 6 2 0 573.107 255.120 1 6 -2 0 810.457 259.950 1 6 2 1 4651.56 531.165 1 6 -2 1 5280.75 581.671 1 6 -2 2 5192.08 578.987 1 6 2 2 4540.71 540.793 1 6 -2 3 7191.50 678.954 1 6 2 3 6985.19 689.623 1 6 -2 4 13321.6 953.157 1 6 2 4 13058.2 968.556 1 6 -2 5 341.509 289.012 1 6 2 5 566.942 322.657 1 6 -2 6 2821.67 499.434 1 6 2 6 2517.94 494.907 1 -6 -3 11 549.665 254.659 2 -6 -3 10 602.552 257.382 2 -6 3 9 906.227 217.106 2 -6 -3 9 565.551 220.062 2 -6 -3 8 1489.68 321.815 2 -6 3 8 1248.10 258.061 2 6 -3 -7 388.776 127.333 1 6 -3 -6 1442.74 231.696 1 6 3 -6 1251.31 251.179 1 6 3 -5 3361.06 408.909 1 6 -3 -5 2863.15 321.295 1 6 3 -4 12448.8 774.144 1 6 -3 -4 10370.0 637.124 1 6 -3 -3 1067.71 268.105 1 6 3 -3 1138.78 303.560 1 6 3 -2 14586.2 859.183 1 6 -3 -2 13882.1 788.090 1 6 3 -1 657.926 240.590 1 6 -3 -1 567.078 255.453 1 6 -3 0 11207.9 780.021 1 6 3 0 10531.9 777.460 1 6 3 1 46.2195 200.124 1 6 -3 1-134.482 198.889 1 6 3 2 382.539 270.642 1 6 -3 2 42.7041 189.387 1 6 3 3 140.533 201.589 1 6 -3 3 229.396 233.526 1 6 -3 4 5641.82 598.033 1 6 3 4 7176.53 709.337 1 6 -3 5 3326.02 471.926 1 6 3 5 4135.72 558.926 1 6 -3 6 3934.16 579.717 1 6 3 6 3510.47 572.459 1 -6 -4 11 911.851 296.727 2 -6 -4 10 2618.68 439.542 2 -6 -4 9 369.033 243.489 2 -6 -4 8-33.4463 148.421 2 -6 4 8 160.025 121.031 2 6 -4 -6 914.516 178.737 1 6 4 -6 1203.21 276.983 1 6 -4 -5 6737.49 480.928 1 6 4 -5 6672.20 573.421 1 6 4 -4 5936.93 554.924 1 6 -4 -4 4665.01 433.830 1 6 4 -3 19518.8 1007.67 1 6 -4 -3 20446.6 936.889 1 6 4 -2 4355.28 498.851 1 6 -4 -2 4974.23 487.758 1 6 -4 -1 10802.3 748.915 1 6 4 -1 9439.15 711.702 1 6 4 0 985.740 289.628 1 6 -4 0 1320.32 310.392 1 6 -4 1 8507.94 701.471 1 6 4 1 8001.01 702.519 1 6 4 2 866.748 315.033 1 6 -4 2 747.613 280.295 1 6 4 3 2361.67 412.634 1 6 -4 3 2627.58 414.672 1 6 4 4 183.172 198.202 1 6 -4 4 425.809 249.766 1 6 4 5 40.9761 213.314 1 6 -4 5 288.184 270.723 1 6 4 6 4378.31 601.937 1 6 -4 6 3810.87 563.405 1 -6 -5 12 231.259 247.704 2 -6 -5 11 119.151 169.508 2 -6 -5 10-115.521 151.187 2 -6 -5 9 762.576 280.306 2 -6 -5 8 198.393 175.734 2 -6 5 8 252.167 152.563 2 6 5 -6 1558.95 316.597 1 6 -5 -6 1126.50 190.240 1 6 5 -5 1388.78 327.755 1 6 -5 -5 1260.66 214.083 1 6 5 -4 4937.60 503.540 1 6 -5 -4 5190.71 446.602 1 6 5 -3 64411.0 1990.67 1 6 -5 -3 66918.1 1798.27 1 6 5 -2 3222.49 457.519 1 6 -5 -2 2973.65 393.112 1 6 5 -1 371.563 239.582 1 6 -5 -1 309.201 233.380 1 6 5 0 334.827 228.397 1 6 -5 0 892.310 293.272 1 6 5 1 3443.59 474.819 1 6 -5 1 3815.94 440.691 1 6 -5 2 11872.1 832.039 1 6 5 2 10750.7 842.787 1 6 5 3 4739.85 570.774 1 6 -5 3 4825.49 572.746 1 6 5 4 3687.99 515.490 1 6 -5 4 3995.14 575.542 1 6 5 5 275.157 226.116 1 6 -5 5 58.6053 289.257 1 6 5 6 241.820 256.517 1 -6 -6 11 981.300 315.338 2 -6 -6 10 3999.28 566.702 2 -6 -6 9 595.275 289.672 2 -6 -6 8 1471.61 362.446 2 -6 -6 7 2236.23 408.911 2 6 -6 -6 1709.71 222.446 1 6 6 -6 1477.83 307.820 1 6 6 -5 1525.32 301.958 1 6 -6 -5 2015.73 270.453 1 6 -6 -4 3096.47 358.432 1 6 6 -4 3066.83 416.530 1 6 6 -3 29539.0 1295.32 1 6 -6 -3 27083.1 1074.56 1 6 6 -2 6685.26 643.230 1 6 -6 -2 7581.45 612.962 1 6 -6 -1 2381.59 356.830 1 6 6 -1 1764.12 366.209 1 6 6 0 2553.53 403.700 1 6 -6 0 2492.23 371.673 1 6 6 1 650.963 250.764 1 6 -6 1 1439.58 304.789 1 6 6 2 4042.77 545.416 1 6 -6 2 3081.43 481.314 1 6 -6 3 9425.49 827.948 1 6 6 3 8900.64 792.752 1 6 6 4 1625.20 405.908 1 6 -6 4 1589.77 448.756 1 6 6 5 2013.46 440.495 1 6 -6 5 1563.70 443.836 1 6 6 6 2555.54 473.831 1 -6 -7 11 92.7221 183.628 2 -6 -7 10 1326.97 368.965 2 -6 -7 9 1786.10 397.471 2 -6 -7 8-12.1013 160.299 2 -6 -7 7 1647.27 357.189 2 6 7 -6-254.521 201.207 1 6 -7 -5 86.2481 105.892 1 6 7 -5 180.305 215.532 1 6 7 -4 26458.8 1229.02 1 6 -7 -4 27371.0 1028.01 1 6 7 -3 19776.8 1053.89 1 6 -7 -3 20012.5 914.068 1 6 7 -2 3282.18 466.527 1 6 -7 -2 3633.63 429.970 1 6 7 -1 8755.54 735.203 1 6 -7 -1 6906.04 572.023 1 6 -7 0 119.357 167.392 1 6 7 0 207.462 237.090 1 6 7 1-100.479 219.150 1 6 -7 1-48.0884 234.403 1 6 7 2 3673.26 517.834 1 6 -7 2 4541.56 605.994 1 6 7 3 309.632 230.416 1 6 -7 3 299.908 263.767 1 6 7 4 2828.90 499.314 1 6 -7 4 2870.44 513.934 1 6 7 5 1494.85 381.744 1 6 -7 5 1860.60 393.864 1 6 7 6 286.899 262.649 1 -6 -8 10 167.388 222.556 2 -6 -8 9 28.5364 184.630 2 -6 -8 8-166.615 173.825 2 -6 -8 7 645.888 291.418 2 6 8 -6 502.673 270.873 1 6 -8 -5 803.621 175.508 1 6 8 -5 660.359 267.369 1 6 8 -4 5988.12 606.037 1 6 -8 -4 5609.21 456.662 1 6 8 -3 1521.08 358.315 1 6 -8 -3 1513.66 279.472 1 6 8 -2 4873.70 552.059 1 6 -8 -2 5543.68 509.297 1 6 8 -1 982.267 340.216 1 6 -8 -1 200.494 141.486 1 6 -8 0 273.775 205.377 1 6 8 0 481.657 242.100 1 6 8 1 13567.5 952.901 1 6 -8 1 16873.6 1070.74 1 6 -8 2 170.209 248.283 1 6 8 2-208.674 249.430 1 6 8 3 1276.18 355.871 1 6 -8 3 2107.72 428.761 1 6 8 4 1406.73 355.692 1 6 -8 4 1733.29 378.818 1 6 8 5-343.468 241.366 1 6 -8 5 651.274 302.693 1 -6 -9 10 4099.79 595.571 2 -6 -9 9 1589.96 363.304 2 -6 -9 8-64.0497 185.967 2 -6 -9 7 122.670 191.573 2 6 9 -5-98.0940 202.420 1 6 9 -4 9878.68 777.417 1 6 -9 -4 9612.55 578.458 1 6 9 -3 6670.11 650.804 1 6 -9 -3 6803.63 540.438 1 6 9 -2 3375.44 479.434 1 6 -9 -2 2692.50 366.256 1 6 9 -1 321.302 229.028 1 6 -9 -1 56.6809 152.308 1 6 -9 0 463.343 237.190 1 6 9 0 571.346 309.735 1 6 -9 1 1017.61 297.432 1 6 9 1 1783.17 425.792 1 6 9 2 5839.31 649.345 1 6 -9 2 5575.16 616.918 1 6 -9 3 263.634 195.423 1 6 9 3-143.809 212.673 1 6 -9 4 710.442 313.320 1 6 9 4 1069.54 346.730 1 6 -9 5 981.718 336.206 1 6 9 5-8.82961 215.649 1 -6 -10 9 877.597 296.409 2 -6 -10 8 587.382 255.977 2 -6 -10 7 708.416 261.292 2 -6 -10 6 2581.45 461.501 2 6 10 -5 390.305 248.994 1 6 10 -4 2488.05 437.658 1 6 -10 -4 2955.55 332.648 1 6 10 -3 199.687 251.872 1 6 -10 -3 117.456 159.012 1 6 10 -2 8760.62 759.376 1 6 -10 -2 7346.81 549.331 1 6 10 -1 2545.59 459.509 1 6 -10 -1 2758.38 414.924 1 6 10 0 15614.1 1030.59 1 6 -10 0 15626.2 955.184 1 6 10 1 12527.9 933.419 1 6 -10 1 13525.3 905.938 1 6 -10 2 5158.53 606.250 1 6 10 2 5202.01 631.238 1 6 -10 3 1146.80 349.247 1 6 10 3 982.074 337.003 1 6 -10 4 122.764 239.947 1 6 10 4 224.828 249.409 1 6 10 5-24.7864 218.829 1 -6 -11 8-27.1337 167.980 2 -6 -11 7 1107.50 362.088 2 -6 -11 6 2546.88 470.378 2 6 11 -5 807.413 286.522 1 6 -11 -4-98.6249 137.881 1 6 11 -4 369.515 248.812 1 6 11 -3 14553.4 1002.94 1 6 -11 -3 14370.5 775.043 1 6 11 -2 12879.8 929.807 1 6 -11 -2 11701.5 746.980 1 6 -11 -1 4172.54 528.959 1 6 11 -1 3586.78 506.963 1 6 11 0 253.831 269.751 1 6 -11 0 765.596 290.293 1 6 11 1 4242.92 564.232 1 6 -11 1 2367.33 407.596 1 6 -11 2 4820.83 569.317 1 6 11 2 4583.94 611.981 1 6 -11 3 141.046 211.540 1 6 11 3 364.085 227.771 1 6 -11 4 1704.73 429.967 1 6 11 4 1432.42 380.141 1 6 11 5 289.379 246.776 1 -6 -12 8 2647.18 479.364 2 -6 -12 7 272.529 214.871 2 -6 -12 6 5498.00 661.276 2 6 12 -4 111.389 203.223 1 6 12 -3 4250.09 542.524 1 6 -12 -3 4211.38 412.160 1 6 12 -2 6577.11 694.393 1 6 -12 -2 7220.64 609.519 1 6 -12 -1 2405.67 398.871 1 6 12 -1 2083.71 450.330 1 6 -12 0 513.133 257.187 1 6 12 0-144.878 242.477 1 6 12 1 108.572 226.119 1 6 -12 1 140.215 207.143 1 6 12 2 711.604 370.386 1 6 -12 2 786.355 330.596 1 6 -12 3-62.6567 210.899 1 6 12 3-165.614 246.759 1 6 -12 4 2988.02 512.233 1 6 12 4 2651.65 497.702 1 -6 -13 7 6304.22 726.902 2 -6 -13 6 146.498 296.763 2 -6 -13 5-124.006 244.353 2 6 13 -4 2254.10 446.870 1 6 -13 -3 2246.53 302.475 1 6 13 -3 2470.30 444.176 1 6 13 -2 7504.44 738.527 1 6 -13 -2 8738.82 711.168 1 6 13 -1 10807.0 887.490 1 6 -13 -1 9618.33 733.622 1 6 -13 0 225.996 226.273 1 6 13 0-16.7262 234.960 1 6 -13 1-29.8299 189.164 1 6 13 1 132.539 212.476 1 6 13 2 484.754 243.182 1 6 -13 2 528.682 287.182 1 6 13 3 533.000 280.342 1 6 13 4 3776.48 584.887 1 -6 -14 7 920.082 393.484 2 -6 -14 6 3894.81 602.040 2 -6 -14 5 195.848 207.210 2 6 14 -4 4585.66 579.045 1 6 14 -3 260.683 226.972 1 6 14 -2 5854.21 685.209 1 6 -14 -2 6264.82 573.542 1 6 14 -1 5054.34 647.664 1 6 -14 -1 5112.88 540.246 1 6 -14 0 481.125 195.761 1 6 14 0 492.527 338.596 1 6 -14 1 15.5039 194.401 1 6 14 1 189.595 237.568 1 6 14 2-259.562 224.335 1 6 14 3 605.446 286.202 1 -6 -15 6-92.7651 204.877 2 -6 -15 5-253.257 218.058 2 -6 -15 4 112.702 182.745 2 6 15 -3-48.6643 243.043 1 6 -15 -2 768.735 218.618 1 6 15 -2 1041.90 362.975 1 6 15 -1 925.780 325.986 1 6 -15 -1 590.789 219.877 1 6 15 0 6678.65 720.795 1 6 -15 0 7432.08 691.850 1 6 15 1 223.626 287.818 1 6 15 2 1071.65 356.460 1 -6 -16 5 171.707 217.398 2 -6 -16 4 365.057 259.028 2 6 16 -3 667.718 262.492 1 6 16 -2 137.301 243.556 1 6 -16 -1 1112.38 303.964 1 6 16 -1 1227.26 378.935 1 6 16 0 975.361 351.266 1 6 16 1 2955.79 535.213 1 -6 -17 4-174.700 204.697 2 -6 -17 3 424.641 208.616 2 6 17 -2-182.973 272.442 1 6 17 -1 44.2424 231.151 1 6 -17 -1 154.315 189.143 1 -6 -18 3 246.417 270.643 2 -6 -18 2 1096.89 352.459 2 -7 0 9-232.442 215.817 2 7 0 -7 237.809 158.626 1 7 0 -6 1772.43 310.432 1 7 0 -5 106.466 195.742 1 7 0 -4 280.594 213.749 1 7 0 -3-258.330 217.217 1 7 0 -2 62.5863 220.239 1 7 0 -1 446.752 283.358 1 7 0 0 193.700 208.975 1 7 0 1-133.647 257.826 1 7 0 2 396.514 238.390 1 7 0 3 361.674 326.514 1 7 0 4 306.800 230.659 1 -7 -1 10 663.806 271.013 2 -7 1 9 1952.65 360.262 2 -7 -1 9 2324.24 425.365 2 7 -1 -7 217.398 136.175 1 7 1 -7 202.978 154.741 1 7 -1 -6 2814.30 369.126 1 7 1 -6 1912.55 365.614 1 7 -1 -5 281.252 163.102 1 7 1 -5 314.765 170.875 1 7 -1 -4 1854.54 332.400 1 7 1 -4 1766.92 348.068 1 7 -1 -3 170.516 195.128 1 7 1 -3 319.053 236.672 1 7 -1 -2 874.303 285.815 1 7 1 -2 593.648 254.026 1 7 -1 -1 2895.90 425.483 1 7 1 -1 2409.32 429.277 1 7 -1 0 579.504 288.328 1 7 1 0 4.00268 231.538 1 7 1 1 1455.54 353.013 1 7 -1 1 1282.39 332.806 1 7 1 2 223.803 199.050 1 7 -1 2 5.53548 211.887 1 7 -1 3 3013.97 506.680 1 7 1 3 4070.27 564.704 1 7 -1 4 50.4945 246.907 1 7 1 4 396.049 246.090 1 -7 -2 10 2395.08 430.122 2 -7 2 9 25.6087 137.369 2 -7 -2 9 122.131 189.615 2 7 2 -7-126.154 145.453 1 7 -2 -6 7180.15 568.213 1 7 2 -6 5860.00 561.482 1 7 2 -5 138.558 171.467 1 7 -2 -5 21.5718 169.832 1 7 2 -4 2144.55 387.494 1 7 -2 -4 1346.04 288.002 1 7 -2 -3 984.642 256.115 1 7 2 -3 846.540 275.518 1 7 -2 -2 602.799 227.154 1 7 2 -2 1071.00 304.840 1 7 -2 -1 2155.89 372.792 1 7 2 -1 2255.75 401.755 1 7 2 0 918.954 294.746 1 7 -2 0 1143.67 329.183 1 7 2 1 915.321 325.019 1 7 -2 1 975.954 356.915 1 7 2 2-14.3412 271.438 1 7 -2 2-374.632 223.234 1 7 2 3 1223.41 370.788 1 7 -2 3 831.564 301.418 1 7 2 4 679.596 285.971 1 7 -2 4 1265.97 392.442 1 -7 -3 11 360.732 208.108 2 -7 -3 10-57.0072 198.139 2 -7 -3 9 726.380 305.625 2 -7 -3 8-63.7256 204.836 2 7 3 -7-279.467 191.176 1 7 3 -6 961.872 253.582 1 7 -3 -6 1061.47 251.112 1 7 3 -5 806.460 278.403 1 7 -3 -5 885.686 236.601 1 7 3 -4 272.092 245.515 1 7 -3 -4 180.440 168.647 1 7 -3 -3 1633.15 347.134 1 7 3 -3 2014.84 386.501 1 7 -3 -2 91.3349 168.872 1 7 3 -2 357.665 227.083 1 7 -3 -1 3124.54 418.041 1 7 3 -1 3128.71 469.510 1 7 -3 0 15543.5 1003.13 1 7 3 0 14718.2 1000.83 1 7 3 1 2848.11 463.887 1 7 -3 1 2595.55 448.394 1 7 3 2 2344.62 451.212 1 7 -3 2 1417.56 365.040 1 7 3 3 953.898 315.896 1 7 -3 3 546.598 310.651 1 7 3 4 205.699 273.477 1 7 -3 4 222.234 225.243 1 -7 -4 11 852.093 312.752 2 -7 -4 10-21.9039 165.008 2 -7 -4 9 463.140 224.738 2 -7 -4 8 42.0312 170.226 2 7 4 -7 902.658 266.867 1 7 -4 -6 26.0214 131.035 1 7 4 -6-252.106 180.892 1 7 -4 -5 2668.64 360.250 1 7 4 -5 2244.03 387.378 1 7 4 -4 9.10818 182.135 1 7 -4 -4-39.8583 149.666 1 7 -4 -3 129.850 155.500 1 7 4 -3 9.39665 233.034 1 7 -4 -2 4295.69 487.253 1 7 4 -2 4419.73 546.642 1 7 4 -1 1369.87 350.414 1 7 -4 -1 1428.89 349.703 1 7 4 0 980.527 325.051 1 7 -4 0 1110.21 357.980 1 7 4 1 497.659 289.859 1 7 -4 1 69.7772 221.063 1 7 4 2 1029.98 345.998 1 7 -4 2 1233.03 386.533 1 7 4 3 1862.08 421.601 1 7 -4 3 1637.70 400.685 1 7 4 4 1664.81 381.440 1 7 -4 4 2080.60 446.663 1 -7 -5 10 654.877 286.315 2 -7 -5 9 387.837 234.864 2 -7 -5 8 384.797 224.255 2 7 5 -7 277.991 237.058 1 7 5 -6 623.355 259.620 1 7 -5 -5 4585.24 453.964 1 7 5 -5 4708.40 546.984 1 7 -5 -4 2457.79 347.891 1 7 5 -4 2746.52 442.714 1 7 5 -3 166.126 192.655 1 7 -5 -3 58.6691 175.988 1 7 -5 -2 3417.51 439.400 1 7 5 -2 3717.50 507.201 1 7 5 -1 7176.97 693.488 1 7 -5 -1 6765.08 646.963 1 7 5 0 661.944 322.492 1 7 -5 0 342.835 258.492 1 7 5 1 2468.19 446.682 1 7 -5 1 2869.76 456.193 1 7 5 2 215.153 239.325 1 7 -5 2-71.8734 208.280 1 7 5 3 491.575 286.196 1 7 -5 3 1493.70 442.835 1 -7 -6 9 496.622 243.078 2 -7 -6 8 650.015 241.766 2 7 6 -7 897.585 273.811 1 7 6 -6 180.459 190.711 1 7 6 -5 1274.74 318.078 1 7 -6 -5 1322.65 260.627 1 7 -6 -4 2651.07 367.370 1 7 6 -4 2719.77 452.857 1 7 -6 -3 2553.20 380.265 1 7 6 -3 2603.14 447.439 1 7 -6 -2 151.426 156.164 1 7 6 -2-120.935 220.690 1 7 6 -1 318.301 230.912 1 7 -6 -1 108.311 211.658 1 7 6 0 6820.32 718.137 1 7 -6 0 6718.48 668.063 1 7 -6 1 4700.30 606.894 1 7 6 1 5640.11 651.895 1 7 6 2 128.620 258.879 1 7 -6 2 703.314 285.918 1 7 6 3 2868.79 518.666 1 7 -6 3 3212.19 498.775 1 -7 -7 9-31.5313 202.806 2 -7 -7 8 4325.58 598.318 2 7 7 -6 741.677 276.588 1 7 7 -5 1549.73 362.604 1 7 -7 -4 864.966 240.928 1 7 7 -4 1264.26 345.680 1 7 -7 -3 73.1242 152.695 1 7 7 -3-320.225 262.143 1 7 7 -2 610.334 252.510 1 7 -7 -2 329.254 217.594 1 7 -7 -1-123.481 263.740 1 7 7 -1 90.3133 213.103 1 7 -7 0 1625.66 373.408 1 7 7 0 1353.96 348.583 1 7 7 1 2725.84 491.568 1 7 -7 1 2613.87 437.825 1 7 7 2 3323.61 546.842 1 7 -7 2 2218.25 396.523 1 7 7 3 1117.41 364.852 1 7 -7 3 834.056 292.546 1 -7 -8 8 1092.53 368.101 2 -7 -8 7 2954.67 520.723 2 7 8 -6-104.661 200.199 1 7 8 -5 1877.24 372.994 1 7 -8 -4 1801.36 307.544 1 7 8 -4 2368.26 445.838 1 7 8 -3 4985.85 603.284 1 7 -8 -3 3843.87 444.906 1 7 8 -2 271.295 234.864 1 7 -8 -2 137.466 157.567 1 7 8 -1-771.314 372.707 1 7 -8 -1 46.9654 165.603 1 7 -8 0 1569.76 317.687 1 7 8 0 2428.93 475.534 1 7 -8 1-289.094 255.445 1 7 8 1 238.305 303.728 1 7 8 2 1595.32 387.654 1 7 -8 2 770.607 266.042 1 7 8 3-204.499 238.300 1 7 -8 3 202.482 230.931 1 -7 -9 8 1681.41 409.344 2 -7 -9 7 653.456 297.128 2 7 9 -6 2050.70 390.243 1 7 9 -5 441.803 214.830 1 7 -9 -4 27.3718 124.675 1 7 9 -4 126.083 202.328 1 7 9 -3 910.496 348.899 1 7 -9 -3 113.762 163.320 1 7 9 -2 1241.53 348.089 1 7 -9 -2 1227.00 293.142 1 7 9 -1 1992.88 427.560 1 7 -9 -1 2244.72 390.086 1 7 -9 0 597.581 258.237 1 7 9 0 349.401 275.640 1 7 -9 1 1109.88 315.209 1 7 9 1 1217.22 336.736 1 7 -9 2 2961.93 510.777 1 7 9 2 2261.49 494.863 1 7 -9 3 127.671 248.683 1 -7 -10 7 144.571 261.517 2 7 10 -6-95.7831 254.377 1 7 10 -5 1240.76 371.164 1 7 10 -4 592.208 285.095 1 7 10 -3 6764.83 707.443 1 7 -10 -3 5904.06 549.374 1 7 10 -2 2897.51 509.874 1 7 -10 -2 2370.16 384.634 1 7 10 -1 914.803 308.949 1 7 -10 -1 346.831 199.441 1 7 10 0 1016.95 360.254 1 7 -10 0 1054.25 283.074 1 7 -10 1-230.810 249.040 1 7 10 1 314.936 276.530 1 7 10 2 9604.20 897.284 1 7 -10 2 10058.0 900.174 1 7 11 -5 101.310 219.974 1 7 11 -4 632.684 333.188 1 7 11 -3 1562.55 405.065 1 7 -11 -3 851.215 255.847 1 7 -11 -2 2877.42 427.407 1 7 11 -2 3052.61 523.100 1 7 11 -1 134.802 217.788 1 7 -11 -1-313.913 223.333 1 7 11 0 322.373 298.932 1 7 -11 0 284.675 273.096 1 7 11 1 370.741 292.951 1 7 -11 1-185.622 246.226 1 7 -11 2 1082.92 395.463 1 7 12 -5 96.4312 213.843 1 7 12 -4 1165.30 360.099 1 7 12 -3 715.509 261.334 1 7 12 -2 7403.74 787.291 1 7 -12 -2 6578.52 612.838 1 7 -12 -1 1799.78 359.406 1 7 12 -1 2279.63 478.495 1 7 12 0 10910.7 960.286 1 7 -12 0 11251.4 877.577 1 7 -12 1 1467.38 361.611 1 7 -12 2 1370.77 395.283 1 7 13 -5 502.935 298.459 1 7 13 -4-29.0368 269.049 1 7 13 -3 919.976 305.015 1 7 13 -2 9489.30 876.505 1 7 -13 -2 9299.00 725.391 1 7 -13 -1-1.10071 156.233 1 7 13 -1 477.096 313.126 1 7 -13 0 410.004 269.821 1 7 -13 1 5403.75 698.710 1 7 -13 2 2800.44 502.837 1 7 -14 -1 2611.02 440.880 1 7 -14 0 1151.28 378.506 1 7 -14 1 3104.64 518.893 1 7 -15 -1 1553.86 343.582 1 7 -15 0 3576.47 541.664 1 7 -15 1 1309.82 382.202 1 7 -16 0 310.088 258.967 1 -8 0 9-294.825 214.440 2 8 0 -6 853.207 254.658 1 8 0 -5 239.372 185.522 1 8 0 -4 3259.64 484.436 1 8 0 -3 136.499 220.495 1 8 0 -2 2381.45 432.951 1 8 0 -1 351.231 329.556 1 8 0 0 2098.18 439.890 1 8 0 1 96.5526 277.044 1 -8 -1 9-161.839 230.071 2 8 -1 -6 491.244 206.895 1 8 1 -6 732.526 264.482 1 8 -1 -5 1190.85 308.451 1 8 1 -5 1162.64 334.755 1 8 -1 -4 475.104 247.623 1 8 1 -4 37.1747 167.718 1 8 -1 -3-117.512 215.858 1 8 1 -3 169.826 189.273 1 8 -1 -2 551.477 247.826 1 8 1 -2 379.527 223.041 1 8 -1 -1 10528.4 889.459 1 8 1 -1 10572.5 897.566 1 8 -1 0 2283.34 456.463 1 8 1 0 3503.88 560.645 1 8 -1 1 1724.10 403.220 1 8 1 1 1447.16 400.603 1 -8 -2 9 275.819 160.207 2 8 2 -6 395.106 222.744 1 8 -2 -5-164.406 209.895 1 8 2 -5-86.1884 177.717 1 8 2 -4 3797.61 528.006 1 8 -2 -4 3297.52 471.362 1 8 -2 -3 30.8469 184.438 1 8 2 -3 170.784 177.153 1 8 -2 -2 167.018 194.890 1 8 2 -2 85.6193 191.290 1 8 -2 -1 765.725 288.397 1 8 2 -1 808.577 316.507 1 8 -2 0 2316.12 458.059 1 8 2 0 1937.98 375.185 1 8 -2 1 3841.95 541.444 1 8 2 1 3854.31 618.052 1 -8 -3 9 121.559 226.162 2 8 3 -7-358.631 204.944 1 8 3 -6 661.422 275.981 1 8 3 -5 510.040 285.627 1 8 -3 -5-75.3181 199.667 1 8 3 -4 1128.15 318.634 1 8 -3 -4 564.356 198.168 1 8 -3 -3 399.802 217.223 1 8 3 -3 766.085 312.356 1 8 -3 -2 405.942 285.538 1 8 3 -2-39.5915 233.454 1 8 -3 -1-15.7220 237.740 1 8 3 -1-87.2673 215.841 1 8 -3 0-221.697 266.801 1 8 3 0 36.9267 236.731 1 8 3 1 609.980 318.225 1 8 -3 1 331.864 284.951 1 8 4 -7 1309.19 334.218 1 8 4 -6-55.4209 176.354 1 8 4 -5 1244.19 313.059 1 8 4 -4 4404.50 583.575 1 8 -4 -4 3176.69 436.848 1 8 4 -3 313.924 250.855 1 8 -4 -3 747.440 256.821 1 8 -4 -2 1309.05 347.016 1 8 4 -2 1657.32 380.601 1 8 -4 -1 1386.53 442.975 1 8 4 -1 942.116 325.459 1 8 -4 0 690.049 225.504 1 8 4 0 1589.81 393.913 1 8 -4 1 171.343 301.785 1 8 5 -7 377.612 258.024 1 8 5 -6 2679.51 452.707 1 8 5 -5 1881.68 394.280 1 8 5 -4 75.1009 197.047 1 8 -5 -4 46.2921 187.238 1 8 5 -3 158.900 215.422 1 8 -5 -3 385.955 243.967 1 8 -5 -2-108.545 205.279 1 8 5 -2-197.235 266.447 1 8 -5 -1 653.032 248.525 1 8 5 -1 492.781 276.610 1 8 5 0 271.822 260.302 1 8 -5 0 645.791 268.664 1 8 -5 1 1348.16 390.425 1 8 6 -7 299.842 237.581 1 8 6 -6 377.260 251.801 1 8 6 -5 6931.66 721.970 1 8 6 -4 7931.00 768.514 1 8 -6 -4 7792.58 673.701 1 8 -6 -3 300.329 212.681 1 8 6 -3 212.839 267.321 1 8 6 -2 340.844 243.694 1 8 -6 -2 101.534 208.068 1 8 6 -1 941.279 289.591 1 8 -6 -1 157.188 190.998 1 8 6 0 4132.72 610.306 1 8 -6 0 2501.41 480.103 1 8 -6 1 8798.38 877.870 1 8 7 -7 1555.80 378.614 1 8 7 -6 1750.90 414.630 1 8 7 -5 5815.03 674.609 1 8 7 -4 3600.11 556.484 1 8 -7 -3 3764.11 485.069 1 8 7 -3 4275.21 584.758 1 8 -7 -2 97.2471 195.442 1 8 7 -2-31.2045 217.346 1 8 -7 -1 887.425 291.325 1 8 7 -1 1455.54 346.076 1 8 -7 0 1622.14 367.655 1 8 -7 1 338.631 230.480 1 8 8 -6 187.136 193.594 1 8 8 -5 11604.0 951.437 1 8 8 -4 5627.76 686.753 1 8 -8 -3-167.244 185.656 1 8 8 -3 336.792 278.955 1 8 -8 -2-158.367 192.113 1 8 8 -2 367.369 267.521 1 8 -8 -1 409.261 260.764 1 8 -8 0 1720.57 427.966 1 8 -8 1 5619.75 670.232 1 8 9 -6 843.850 309.671 1 8 9 -5 582.917 321.696 1 8 9 -4 3170.60 525.050 1 8 9 -3 987.209 336.248 1 8 -9 -2 508.396 250.513 1 8 -9 -1-249.805 257.056 1 8 -9 0 2625.04 479.634 1 8 -10 -2 1217.54 307.814 1 8 -10 -1 232.541 204.821 1 8 -10 0 387.593 266.618 1 8 -11 -1 773.573 276.455 1 8 -11 0 1073.95 346.683 1 8 -12 -1 155.330 230.141 1 8 -12 0 177.027 211.801 1 9 0 -5-64.1247 196.095 1 9 0 -4 827.643 313.229 1 9 0 -3-56.7282 215.282 1 9 1 -5-260.590 218.171 1 9 1 -4 234.376 217.901 1 9 -1 -4-51.4518 210.446 1 9 -1 -3 115.517 240.216 1 9 1 -3 118.848 165.243 1 9 2 -5 557.608 242.741 1 9 2 -4 310.773 243.511 1 9 -2 -4-155.176 219.306 1 9 -2 -3-44.7010 200.430 1 9 -2 -2 380.642 266.142 1 9 3 -6 336.102 237.588 1 9 3 -5 78.9896 161.991 1 9 3 -4-52.3146 231.539 1 9 -3 -4 191.977 209.474 1 9 -3 -3-232.243 254.855 1 9 -3 -2 53.4907 214.400 1 9 4 -6 255.394 258.618 1 9 4 -5 1822.06 420.805 1 9 -4 -3-92.7836 230.796 1 9 -4 -2 42.9098 209.364 1 9 -5 -3 339.489 241.467 1 9 -5 -2 489.453 307.571 1 9 -6 -2 319.531 275.561 1 9 -7 -2-26.7286 171.943 1 0 0 0 0.00 0.00 0 TITL MF1908 in P2(1)/c REM P2(1)/c (#14 in standard setting) CELL 0.71073 7.091039 20.311978 10.324591 90.0000 103.8788 90.0000 ZERR 4.00 0.000405 0.000929 0.000597 0.0000 0.0062 0.0000 LATT 1 SYMM -x, y+1/2,-z+1/2 SFAC C H N O UNIT 56.00 72.00 16.00 8.00 TREF HKLF 4 END ; _shelx_hkl_checksum 74335 #===END data_4pzMe-OMe2_diethylether _audit_creation_method 'SHELXL-2018/3' _shelx_SHELXL_version_number '2018/3' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C14 H18 N4 O2' _chemical_formula_sum 'C14 H18 N4 O2' _chemical_formula_weight 274.32 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' _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 7.0836(4) _cell_length_b 20.2850(12) _cell_length_c 10.3061(6) _cell_angle_alpha 90 _cell_angle_beta 103.825(5) _cell_angle_gamma 90 _cell_volume 1437.99(14) _cell_formula_units_Z 4 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 1290 _cell_measurement_theta_min 3.2760 _cell_measurement_theta_max 27.4390 _exptl_crystal_description 'blocky needles' _exptl_crystal_colour Yellow _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.267 _exptl_crystal_F_000 584 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.592 _exptl_crystal_size_mid 0.224 _exptl_crystal_size_min 0.121 _exptl_absorpt_coefficient_mu 0.088 _shelx_estimated_absorpt_T_min ? _shelx_estimated_absorpt_T_max ? _exptl_absorpt_correction_type analytical _exptl_absorpt_correction_T_min 0.980 _exptl_absorpt_correction_T_max 0.991 _exptl_absorpt_process_details ; CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_absorpt_special_details ? _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source 'Enhance (Mo) X-ray Source' _diffrn_measurement_device_type 'Agilent Xcalibur 3 E' _diffrn_measurement_method 'omega scans' _diffrn_detector_area_resol_mean 16.0382 _diffrn_reflns_number 5252 _diffrn_reflns_av_unetI/netI 0.0444 _diffrn_reflns_av_R_equivalents 0.0220 _diffrn_reflns_limit_h_min -7 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_k_min -24 _diffrn_reflns_limit_k_max 26 _diffrn_reflns_limit_l_min -10 _diffrn_reflns_limit_l_max 12 _diffrn_reflns_theta_min 2.859 _diffrn_reflns_theta_max 28.204 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.812 _diffrn_measured_fraction_theta_full 0.987 _diffrn_reflns_Laue_measured_fraction_max 0.812 _diffrn_reflns_Laue_measured_fraction_full 0.987 _diffrn_reflns_point_group_measured_fraction_max 0.812 _diffrn_reflns_point_group_measured_fraction_full 0.987 _reflns_number_total 2881 _reflns_number_gt 2201 _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, Rigaku OD' _computing_cell_refinement 'CrysAlisPro, Rigaku OD' _computing_data_reduction 'CrysAlisPro, Rigaku OD' _computing_structure_solution 'SHELXS-2014 (Sheldrick, 2017)' _computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'CIFTAB-2014 (Sheldrick, 2017)' _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^)+(0.0481P)^2^+0.3211P] 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 'SHELXL-2018/3 (Sheldrick 2018)' _refine_ls_extinction_coef 0.0067(15) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 2881 _refine_ls_number_parameters 187 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0696 _refine_ls_R_factor_gt 0.0484 _refine_ls_wR_factor_ref 0.1223 _refine_ls_wR_factor_gt 0.1093 _refine_ls_goodness_of_fit_ref 1.044 _refine_ls_restrained_S_all 1.044 _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 N1 N 0.27712(19) 0.58513(7) 0.69672(14) 0.0259(3) Uani 1 1 d . . . . . N2 N 0.3471(2) 0.58750(7) 0.82040(15) 0.0369(4) Uani 1 1 d . . . . . C3 C 0.3068(2) 0.52536(8) 0.63697(17) 0.0237(4) Uani 1 1 d . . . . . C4 C 0.2360(2) 0.51499(8) 0.50084(17) 0.0257(4) Uani 1 1 d . . . . . N5 N 0.27875(19) 0.45244(7) 0.47853(14) 0.0280(4) Uani 1 1 d . . . . . N6 N 0.37408(19) 0.42056(7) 0.59310(15) 0.0293(4) Uani 1 1 d . . . . . C7 C 0.3922(2) 0.46490(8) 0.68979(17) 0.0251(4) Uani 1 1 d . . . . . C8 C 0.1348(3) 0.56096(9) 0.39403(18) 0.0342(5) Uani 1 1 d . . . . . H8A H 0.072605 0.596244 0.433779 0.051 Uiso 1 1 calc R U . . . H8B H 0.035735 0.536765 0.328721 0.051 Uiso 1 1 calc R U . . . H8C H 0.229416 0.580105 0.349306 0.051 Uiso 1 1 calc R U . . . C9 C 0.2325(3) 0.41519(10) 0.35443(19) 0.0400(5) Uani 1 1 d . . . . . H9A H 0.338994 0.384661 0.352503 0.060 Uiso 1 1 calc R U . . . H9B H 0.214894 0.445601 0.278598 0.060 Uiso 1 1 calc R U . . . H9C H 0.112319 0.390192 0.348536 0.060 Uiso 1 1 calc R U . . . C10 C 0.4938(3) 0.44705(9) 0.82934(18) 0.0364(5) Uani 1 1 d . . . . . H10A H 0.614652 0.472362 0.856255 0.055 Uiso 1 1 calc R U . . . H10B H 0.523811 0.399828 0.833956 0.055 Uiso 1 1 calc R U . . . H10C H 0.409547 0.457233 0.889552 0.055 Uiso 1 1 calc R U . . . C11 C 0.3063(3) 0.64920(9) 0.87718(18) 0.0333(5) Uani 1 1 d . . . . . C12 C 0.1661(3) 0.65018(9) 0.95129(18) 0.0349(5) Uani 1 1 d . . . . . C13 C 0.1344(3) 0.70714(10) 1.0179(2) 0.0441(5) Uani 1 1 d . . . . . H13A H 0.038905 0.707998 1.068831 0.053 Uiso 1 1 calc R U . . . C14 C 0.2440(3) 0.76247(10) 1.0088(2) 0.0494(6) Uani 1 1 d . . . . . H14A H 0.222260 0.801549 1.053885 0.059 Uiso 1 1 calc R U . . . C15 C 0.3836(3) 0.76268(10) 0.9364(2) 0.0451(6) Uani 1 1 d . . . . . H15A H 0.456677 0.801454 0.931220 0.054 Uiso 1 1 calc R U . . . C16 C 0.4169(3) 0.70548(9) 0.87062(19) 0.0373(5) Uani 1 1 d . . . . . O17 O 0.06758(19) 0.59190(6) 0.95232(14) 0.0421(4) Uani 1 1 d . . . . . C18 C -0.0857(3) 0.59076(11) 1.0194(2) 0.0506(6) Uani 1 1 d . . . . . H18A H -0.136755 0.545810 1.018448 0.076 Uiso 1 1 calc R U . . . H18C H -0.189824 0.620451 0.974030 0.076 Uiso 1 1 calc R U . . . H18B H -0.036400 0.605230 1.112053 0.076 Uiso 1 1 calc R U . . . O19 O 0.5564(2) 0.69857(6) 0.80078(15) 0.0464(4) Uani 1 1 d . . . . . C20 C 0.6657(3) 0.75587(11) 0.7848(3) 0.0588(7) Uani 1 1 d . . . . . H20A H 0.759873 0.744613 0.732399 0.088 Uiso 1 1 calc R U . . . H20B H 0.734795 0.772236 0.872766 0.088 Uiso 1 1 calc R U . . . H20C H 0.577429 0.790097 0.738086 0.088 Uiso 1 1 calc R U . . . 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 N1 0.0274(7) 0.0225(8) 0.0273(8) 0.0011(6) 0.0057(6) -0.0011(6) N2 0.0524(10) 0.0265(9) 0.0275(9) -0.0032(7) 0.0013(7) 0.0082(7) C3 0.0241(8) 0.0234(9) 0.0230(9) 0.0004(7) 0.0045(7) -0.0018(7) C4 0.0219(8) 0.0279(9) 0.0275(9) 0.0010(8) 0.0062(7) -0.0022(7) N5 0.0266(7) 0.0335(9) 0.0236(8) -0.0040(7) 0.0052(6) -0.0008(6) N6 0.0287(8) 0.0277(8) 0.0303(9) -0.0013(7) 0.0047(6) 0.0014(6) C7 0.0246(8) 0.0243(9) 0.0262(10) -0.0005(7) 0.0059(7) -0.0010(7) C8 0.0319(10) 0.0396(11) 0.0296(10) 0.0054(9) 0.0043(8) -0.0013(8) C9 0.0402(10) 0.0468(12) 0.0317(11) -0.0123(9) 0.0058(8) -0.0031(9) C10 0.0455(11) 0.0282(10) 0.0318(11) 0.0022(8) 0.0019(8) 0.0052(8) C11 0.0444(11) 0.0248(10) 0.0253(10) -0.0022(8) -0.0023(8) 0.0101(8) C12 0.0413(10) 0.0307(10) 0.0267(10) -0.0025(8) -0.0035(8) 0.0071(8) C13 0.0520(12) 0.0408(12) 0.0365(12) -0.0080(10) 0.0048(9) 0.0127(10) C14 0.0640(14) 0.0317(12) 0.0461(13) -0.0152(10) 0.0005(11) 0.0113(10) C15 0.0547(13) 0.0274(11) 0.0468(13) -0.0065(9) -0.0004(10) 0.0037(9) C16 0.0446(11) 0.0280(10) 0.0348(11) -0.0005(9) 0.0004(9) 0.0073(9) O17 0.0472(8) 0.0359(8) 0.0413(8) -0.0050(6) 0.0064(7) 0.0011(6) C18 0.0524(13) 0.0533(14) 0.0452(13) 0.0031(11) 0.0097(10) 0.0048(11) O19 0.0557(9) 0.0281(8) 0.0560(10) 0.0006(7) 0.0147(7) 0.0026(6) C20 0.0589(14) 0.0394(13) 0.0784(19) -0.0010(12) 0.0173(13) -0.0076(11) _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 N1 N2 1.2534(19) . ? N1 C3 1.398(2) . ? N2 C11 1.440(2) . ? C3 C4 1.389(2) . ? C3 C7 1.417(2) . ? C4 N5 1.337(2) . ? C4 C8 1.489(2) . ? N5 N6 1.3738(19) . ? N5 C9 1.454(2) . ? N6 C7 1.326(2) . ? C7 C10 1.491(2) . ? C11 C12 1.390(3) . ? C11 C16 1.395(3) . ? C12 O17 1.374(2) . ? C12 C13 1.389(3) . ? C13 C14 1.381(3) . ? C14 C15 1.374(3) . ? C15 C16 1.392(3) . ? C16 O19 1.361(2) . ? O17 C18 1.420(2) . ? O19 C20 1.428(2) . ? 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 N2 N1 C3 114.61(14) . . ? N1 N2 C11 112.18(14) . . ? C4 C3 N1 121.34(15) . . ? C4 C3 C7 105.97(15) . . ? N1 C3 C7 132.57(15) . . ? N5 C4 C3 105.98(14) . . ? N5 C4 C8 123.77(16) . . ? C3 C4 C8 130.24(16) . . ? C4 N5 N6 112.58(14) . . ? C4 N5 C9 129.17(16) . . ? N6 N5 C9 118.21(15) . . ? C7 N6 N5 105.44(13) . . ? N6 C7 C3 110.03(15) . . ? N6 C7 C10 119.88(15) . . ? C3 C7 C10 130.08(15) . . ? C12 C11 C16 119.88(17) . . ? C12 C11 N2 118.36(17) . . ? C16 C11 N2 121.44(18) . . ? O17 C12 C13 124.69(19) . . ? O17 C12 C11 115.02(16) . . ? C13 C12 C11 120.30(18) . . ? C14 C13 C12 118.8(2) . . ? C15 C14 C13 121.94(19) . . ? C14 C15 C16 119.3(2) . . ? O19 C16 C15 124.89(19) . . ? O19 C16 C11 115.35(16) . . ? C15 C16 C11 119.7(2) . . ? C12 O17 C18 117.82(15) . . ? C16 O19 C20 117.35(16) . . ? _refine_diff_density_max 0.227 _refine_diff_density_min -0.162 _refine_diff_density_rms 0.039 _shelx_res_file ; TITL MF1912 in P2(1)/c MF1912.res created by SHELXL-2018/3 at 10:25:06 on 17-Jul-2019 REM P2(1)/c (#14 in standard setting) REM rf26-diethylether CELL 0.71073 7.083584 20.284949 10.306103 90.0000 103.8245 90.0000 ZERR 4.00 0.000373 0.001213 0.000574 0.0000 0.0053 0.0000 LATT 1 SYMM -x, y+1/2,-z+1/2 SFAC C H N O UNIT 56 72 16 8 TEMP -100 L.S. 6 OMIT 1 0 0 FMAP 2 PLAN 10 ACTA WGHT 0.048100 0.321100 EXTI 0.006714 FVAR 7.41152 N1 3 0.277123 0.585131 0.696717 11.00000 0.02744 0.02252 = 0.02727 0.00107 0.00565 -0.00114 N2 3 0.347139 0.587504 0.820399 11.00000 0.05239 0.02652 = 0.02751 -0.00317 0.00131 0.00820 C3 1 0.306838 0.525362 0.636975 11.00000 0.02409 0.02337 = 0.02297 0.00037 0.00451 -0.00183 C4 1 0.235962 0.514994 0.500836 11.00000 0.02194 0.02786 = 0.02750 0.00102 0.00622 -0.00220 N5 3 0.278750 0.452436 0.478529 11.00000 0.02664 0.03349 = 0.02356 -0.00400 0.00517 -0.00081 N6 3 0.374080 0.420559 0.593099 11.00000 0.02871 0.02768 = 0.03026 -0.00129 0.00467 0.00135 C7 1 0.392219 0.464900 0.689795 11.00000 0.02460 0.02431 = 0.02623 -0.00053 0.00594 -0.00103 C8 1 0.134781 0.560956 0.394031 11.00000 0.03193 0.03959 = 0.02965 0.00537 0.00431 -0.00132 AFIX 137 H8A 2 0.072605 0.596244 0.433779 11.00000 -1.50000 H8B 2 0.035735 0.536765 0.328721 11.00000 -1.50000 H8C 2 0.229416 0.580105 0.349306 11.00000 -1.50000 AFIX 0 C9 1 0.232468 0.415187 0.354429 11.00000 0.04015 0.04685 = 0.03166 -0.01229 0.00578 -0.00315 AFIX 137 H9A 2 0.338994 0.384661 0.352503 11.00000 -1.50000 H9B 2 0.214894 0.445601 0.278598 11.00000 -1.50000 H9C 2 0.112319 0.390192 0.348536 11.00000 -1.50000 AFIX 0 C10 1 0.493754 0.447052 0.829343 11.00000 0.04549 0.02825 = 0.03176 0.00218 0.00185 0.00519 AFIX 137 H10A 2 0.614652 0.472362 0.856255 11.00000 -1.50000 H10B 2 0.523811 0.399828 0.833956 11.00000 -1.50000 H10C 2 0.409547 0.457233 0.889552 11.00000 -1.50000 AFIX 0 C11 1 0.306285 0.649204 0.877181 11.00000 0.04442 0.02476 = 0.02528 -0.00224 -0.00225 0.01006 C12 1 0.166092 0.650176 0.951287 11.00000 0.04134 0.03065 = 0.02675 -0.00253 -0.00347 0.00710 C13 1 0.134351 0.707136 1.017903 11.00000 0.05203 0.04075 = 0.03650 -0.00800 0.00481 0.01267 AFIX 43 H13A 2 0.038905 0.707998 1.068831 11.00000 -1.20000 AFIX 0 C14 1 0.244004 0.762472 1.008770 11.00000 0.06397 0.03173 = 0.04613 -0.01518 0.00048 0.01126 AFIX 43 H14A 2 0.222260 0.801549 1.053885 11.00000 -1.20000 AFIX 0 C15 1 0.383618 0.762676 0.936360 11.00000 0.05468 0.02736 = 0.04682 -0.00649 -0.00041 0.00366 AFIX 43 H15A 2 0.456677 0.801454 0.931220 11.00000 -1.20000 AFIX 0 C16 1 0.416900 0.705480 0.870617 11.00000 0.04462 0.02795 = 0.03476 -0.00052 0.00040 0.00729 O17 4 0.067583 0.591900 0.952323 11.00000 0.04719 0.03586 = 0.04128 -0.00504 0.00642 0.00110 C18 1 -0.085728 0.590759 1.019412 11.00000 0.05240 0.05331 = 0.04517 0.00307 0.00968 0.00481 AFIX 137 H18A 2 -0.136755 0.545810 1.018448 11.00000 -1.50000 H18C 2 -0.189824 0.620451 0.974030 11.00000 -1.50000 H18B 2 -0.036400 0.605230 1.112053 11.00000 -1.50000 AFIX 0 O19 4 0.556353 0.698570 0.800781 11.00000 0.05567 0.02805 = 0.05604 0.00062 0.01466 0.00260 C20 1 0.665689 0.755874 0.784751 11.00000 0.05887 0.03944 = 0.07844 -0.00105 0.01730 -0.00764 AFIX 137 H20A 2 0.759873 0.744613 0.732399 11.00000 -1.50000 H20B 2 0.734795 0.772236 0.872766 11.00000 -1.50000 H20C 2 0.577429 0.790097 0.738086 11.00000 -1.50000 AFIX 0 HKLF 4 REM MF1912 in P2(1)/c REM wR2 = 0.1223, GooF = S = 1.044, Restrained GooF = 1.044 for all data REM R1 = 0.0484 for 2201 Fo > 4sig(Fo) and 0.0696 for all 2881 data REM 187 parameters refined using 0 restraints END WGHT 0.0481 0.3210 REM Highest difference peak 0.227, deepest hole -0.162, 1-sigma level 0.039 Q1 1 0.3750 0.5024 0.6825 11.00000 0.05 0.23 Q2 1 0.3303 0.4190 0.2943 11.00000 0.05 0.21 Q3 1 0.0985 0.4297 0.3150 11.00000 0.05 0.18 Q4 1 -0.0207 0.5664 0.3703 11.00000 0.05 0.18 Q5 1 0.3285 0.5329 0.5568 11.00000 0.05 0.17 Q6 1 0.4160 0.5527 0.8639 11.00000 0.05 0.17 Q7 1 0.4279 0.4610 0.7540 11.00000 0.05 0.17 Q8 1 0.6169 0.6604 0.7865 11.00000 0.05 0.16 Q9 1 -0.2256 0.5974 0.9710 11.00000 0.05 0.16 Q10 1 0.2739 0.6806 0.8328 11.00000 0.05 0.15 ; _shelx_res_checksum 4349 _shelx_hkl_file ; 0 0 3-34.7744 146.654 2 0 0 4-77.2462 146.676 2 0 0 5-138.733 186.544 2 0 0 6 133155. 2891.47 2 0 0 7 107.845 168.321 2 0 0 8 242.482 166.055 1 0 0 8 553.776 261.313 2 0 0 9-182.871 270.302 2 0 0 10 7527.69 811.690 2 0 0 11 603.139 344.186 2 0 0 12 1561.58 458.558 2 0 1 2 331657. 4362.68 2 0 -1 -2 324235. 4350.65 2 0 1 3 29164.7 885.283 2 0 1 4 3305.64 331.881 2 0 -1 5 1125.10 219.485 2 0 1 5 1175.03 262.753 2 0 1 6 1599.98 303.394 2 0 -1 6 1357.70 303.261 2 0 1 7 2720.85 420.484 2 0 1 7 3259.40 343.319 1 0 -1 7 2477.01 386.772 2 0 1 8 13430.4 946.327 2 0 1 8 12346.8 720.593 1 0 -1 8 12078.6 926.523 2 0 1 9 19469.5 1216.00 2 0 -1 9 21835.7 1300.93 2 0 -1 10 606.546 300.425 2 0 1 10 1084.77 312.808 2 0 1 11 2859.23 558.174 2 0 -1 11 4228.33 659.589 2 0 1 12 1111.92 349.410 2 0 -1 12 583.259 338.723 2 0 2 1 189854. 2612.64 2 0 -2 -1 198546. 2614.75 2 0 2 2 134.218 60.4291 1 0 -2 -2 228.286 116.660 2 0 2 2-32.4150 100.366 2 0 -2 -2 65.7092 65.0267 1 0 -2 -3 428.457 162.610 2 0 2 3 424.502 162.929 2 0 2 3 314.380 83.4978 1 0 2 4 37499.2 1138.86 2 0 2 4 36950.2 888.053 1 0 2 5 1787.26 295.379 2 0 2 5 1687.30 203.963 1 0 2 6 40013.2 1413.27 2 0 2 6 38654.6 1111.74 1 0 2 7 31686.9 1059.20 1 0 2 7 31190.6 1340.68 2 0 -2 7 32389.9 1358.44 2 0 -2 8-279.770 208.759 2 0 2 8 6.87003 127.121 1 0 2 9 3185.34 527.886 2 0 -2 9 5422.13 643.141 2 0 -2 10 1314.49 382.407 2 0 2 10 1494.34 396.035 2 0 -2 11-111.062 272.877 2 0 2 11 522.084 355.772 2 0 2 12 2090.37 520.152 2 0 -2 12 2349.52 539.570 2 0 3 0 415.519 90.4044 2 0 -3 0 468.735 92.1084 2 0 3 1 634870. 7818.65 2 0 -3 1 640268. 7790.32 2 0 -3 -1 638705. 7822.67 2 0 -3 -2 20098.5 450.080 1 0 -3 -2 18880.5 625.684 2 0 3 2 18669.9 620.353 2 0 3 3 1942.34 252.491 2 0 3 3 2089.60 158.362 1 0 -3 -3 1834.71 261.090 2 0 -3 -4 155180. 2843.75 2 0 3 4 158899. 2370.78 1 0 3 5 25530.5 767.484 1 0 3 5 24884.2 1025.02 2 0 3 6 445.370 121.429 1 0 3 6 492.592 190.218 2 0 3 7 7176.80 653.555 2 0 3 7 7901.72 493.508 1 0 3 8 3497.38 525.367 2 0 -3 8 4392.25 566.766 2 0 3 8 4102.10 384.732 1 0 3 9 6015.11 694.768 2 0 -3 9 5441.58 669.660 2 0 3 10 2577.21 502.658 2 0 -3 10 2062.01 488.246 2 0 -3 11 781.605 383.371 2 0 3 11 864.571 370.690 2 0 -3 12 4626.79 717.006 2 0 4 0 56633.0 1077.02 2 0 -4 0 56991.8 1082.13 2 0 -4 1 60791.7 1171.15 2 0 4 1 59353.3 1185.84 2 0 4 -1 60722.2 1165.30 2 0 -4 -1 62997.8 1202.82 2 0 4 2-126.331 119.550 2 0 -4 -2 81.5775 61.0785 1 0 -4 -3 19832.9 759.436 2 0 4 3 19493.1 503.756 1 0 4 3 19035.5 743.173 2 0 -4 -3 19097.4 502.222 1 0 -4 -4 61228.1 1589.76 2 0 4 4 56935.1 1101.30 1 0 4 4 59248.7 1531.85 2 0 4 5 18344.4 884.600 2 0 -4 -5 18397.5 902.959 2 0 4 5 17686.9 604.387 1 0 4 6 11833.6 774.099 2 0 4 6 12742.4 566.080 1 0 4 7 30103.9 1358.67 2 0 4 7 31216.5 1015.21 1 0 4 8 9849.51 813.969 2 0 4 8 8667.35 564.160 1 0 4 9 8218.68 828.661 2 0 -4 9 7887.13 802.274 2 0 4 10 3696.60 563.193 2 0 -4 10 3909.60 617.094 2 0 -4 11 166.144 253.101 2 0 4 11 994.678 402.664 2 0 -4 12 2235.38 531.807 2 0 -5 0 217.569 119.693 2 0 5 0 70.3228 203.959 2 0 -5 1 21675.8 669.316 2 0 -5 -1 22665.7 689.657 2 0 5 1 22031.8 694.639 2 0 5 -1 21073.7 672.298 2 0 5 2 3171.49 304.248 2 0 -5 -2 3409.55 300.967 2 0 -5 2 2904.63 268.156 2 0 -5 -3 177457. 3026.77 2 0 5 3 179067. 3031.51 2 0 -5 -3 178082. 2493.09 1 0 -5 -4-95.8986 128.638 2 0 5 4 35.0131 70.4869 1 0 -5 -4 124.276 88.7015 1 0 5 4-21.0566 124.617 2 0 5 5 17748.9 895.667 2 0 5 5 19097.3 623.380 1 0 5 6 277.481 96.5884 1 0 5 6 32.9141 155.799 2 0 5 7 4084.97 488.062 2 0 5 7 3333.03 290.068 1 0 5 8 31894.2 1008.51 1 0 5 8 37710.5 1619.97 2 0 -5 9 6506.71 709.962 2 0 5 9 5176.83 654.180 2 0 5 10 9063.20 902.877 2 0 -5 10 8803.07 890.377 2 0 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1173.95 148.228 1 0 -7 -3 1279.69 228.846 2 0 -7 -4 52030.8 1564.92 2 0 7 4 52195.9 1552.89 2 0 -7 -4 54552.2 1127.55 1 0 7 5 75978.1 2054.75 2 0 -7 -5 72971.9 1395.90 1 0 7 6 3137.39 422.011 2 0 7 7 11438.3 850.239 2 0 7 8 3843.87 549.862 2 0 7 9 1054.69 360.772 2 0 7 10 695.461 372.708 2 0 -7 11 662.272 341.999 2 0 7 11 13.5999 230.185 2 0 -8 0 147546. 2579.21 2 0 8 0 141828. 2545.86 2 0 8 1 70088.8 1619.98 2 0 8 -1 70009.0 1613.28 2 0 -8 -1 72784.1 1656.47 2 0 -8 1 70450.8 1604.72 2 0 -8 -2 25203.5 938.210 2 0 -8 2 24277.4 900.631 2 0 8 2 24430.5 928.411 2 0 -8 3 109533. 2311.18 2 0 -8 -3 109915. 2349.68 2 0 8 3 110008. 2359.28 2 0 8 4 19421.4 919.712 2 0 -8 4 20197.0 917.085 2 0 -8 -4 17189.0 573.019 1 0 8 5 35735.5 1368.04 2 0 -8 -5 33598.7 863.882 1 0 8 6 3892.61 483.944 2 0 8 7 21074.2 1188.91 2 0 8 8 2304.65 433.675 2 0 8 9 15997.6 1156.83 2 0 8 10 777.061 354.730 2 0 -8 11 429.232 347.074 2 0 8 11 1175.36 407.907 2 0 9 0 340.059 222.239 2 0 -9 0 319.409 146.322 2 0 9 1 4390.09 397.862 2 0 -9 -1 4188.28 383.167 2 0 -9 1 4571.77 385.705 2 0 9 -1 5103.32 420.943 2 0 -9 -2 14207.7 726.622 2 0 9 -2 14802.4 717.559 2 0 -9 2 13906.3 704.214 2 0 9 2 13973.4 719.983 2 0 -9 -3 1912.94 288.900 2 0 9 3 1802.29 269.309 2 0 -9 3 1744.63 270.724 2 0 -9 -4 3112.15 245.872 1 0 9 4 3058.43 390.056 2 0 -9 -5 120.620 70.1783 1 0 9 5-13.4963 153.882 2 0 9 6 9052.57 739.669 2 0 9 7-35.5906 187.742 2 0 9 8 101.164 213.893 2 0 9 9 1036.76 357.555 2 0 9 10 81.0989 257.520 2 0 9 11 69.8545 300.838 2 0 10 0 8758.63 561.120 2 0 -10 0 9226.46 573.438 2 0 10 1 23520.1 954.344 2 0 -10 -1 24398.8 974.035 2 0 10 -1 24224.2 954.691 2 0 -10 1 23297.7 940.072 2 0 10 2 2311.57 325.763 2 0 -10 -2 2553.61 319.477 2 0 -10 2 2380.57 313.225 2 0 10 -2 2476.23 326.878 2 0 10 3 33652.1 1252.25 2 0 -10 3 33954.9 1224.92 2 0 -10 -4 433.875 126.663 1 0 10 4 894.940 270.691 2 0 10 5 424.190 205.763 2 0 -10 -5 1048.35 173.001 1 0 -10 -6 4264.89 302.511 1 0 10 6 3723.65 509.772 2 0 10 7 27174.7 1417.19 2 0 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747.547 333.890 2 0 15 8 2203.88 517.843 2 0 15 9 1220.16 437.358 2 0 16 0 46664.7 1735.58 2 0 16 1 66673.3 2113.27 2 0 16 -1 65856.1 2102.72 2 0 16 2 2198.45 391.531 2 0 16 -2 1500.59 314.574 2 0 16 3 1019.85 304.473 2 0 16 4 808.875 277.045 2 0 -16 -5 13515.1 715.127 1 0 16 5 14997.1 1081.82 2 0 16 6 4686.26 631.609 2 0 16 7 2629.86 510.664 2 0 16 8 219.479 235.696 2 0 16 9 262.446 273.085 2 0 17 0 901.760 343.616 2 0 17 -1 51965.5 1904.79 2 0 17 1 54284.4 1944.53 2 0 17 2 1265.98 314.368 2 0 17 -2 1126.46 277.250 2 0 17 3 19899.5 1202.84 2 0 17 4-208.320 261.821 2 0 -17 -5 933.675 219.024 1 0 17 5 900.666 319.378 2 0 17 6 1057.90 371.372 2 0 17 7 506.247 331.433 2 0 17 8 535.911 293.439 2 0 18 0 82757.4 2514.00 2 0 18 1 13260.3 1001.50 2 0 18 -1 13760.8 977.017 2 0 18 2 5149.73 619.961 2 0 18 -2 4514.02 565.628 2 0 18 3 13571.0 1015.53 2 0 18 4 284.354 219.298 2 0 18 5 1987.83 429.997 2 0 18 6 739.228 363.429 2 0 18 7 683.772 313.838 2 0 18 8 2390.30 543.922 2 0 19 0 847.269 365.549 2 0 19 1 35864.3 1675.28 2 0 19 -1 35370.8 1664.17 2 0 19 -2 9011.64 854.539 2 0 19 2 10067.3 884.115 2 0 19 3 8019.42 803.568 2 0 19 4 4163.61 619.850 2 0 19 5 9.38195 236.435 2 0 19 6 2329.99 485.039 2 0 19 7 655.353 273.409 2 0 20 0 22452.4 1339.71 2 0 20 -1 2752.32 518.623 2 0 20 1 2764.96 545.917 2 0 20 -2 600.420 312.991 2 0 20 2 457.173 305.997 2 0 20 3-2.79898 186.439 2 0 20 4 2152.16 472.565 2 0 20 5 380.975 293.289 2 0 20 6 782.940 344.781 2 0 21 0 233.937 266.990 2 0 21 1 708.792 301.431 2 0 21 -1 1203.41 393.505 2 0 21 -2 2977.48 585.518 2 0 21 2 2417.59 463.377 2 0 21 3 6277.56 774.374 2 0 21 4-68.6166 220.607 2 0 21 5 747.279 341.031 2 0 21 6 1896.76 475.631 2 0 22 0 213.412 267.073 2 0 22 1 202.486 226.157 2 0 22 -1 82.1356 204.841 2 0 22 -2 481.972 254.577 2 0 22 2 531.644 314.223 2 0 22 3 548.034 301.871 2 0 22 4 2412.50 530.952 2 0 22 5 2086.90 517.309 2 0 23 0-257.037 256.763 2 0 23 1 1105.31 397.768 2 0 23 -1 875.934 364.480 2 0 23 2 591.541 343.963 2 0 23 -2 1033.58 361.172 2 0 23 3 4631.60 710.179 2 0 23 4 3617.80 641.254 2 0 24 0 4150.03 678.995 2 0 24 -1-57.4343 230.409 2 0 24 1 211.297 253.148 2 0 24 -2 3002.42 587.235 2 0 24 2 2527.71 542.120 2 0 24 3 728.913 333.702 2 0 25 0-171.633 253.385 2 0 25 1 791.125 292.356 2 0 25 -1 652.466 301.735 2 -1 0 12-156.514 268.858 2 -1 0 11-124.741 284.719 2 -1 0 10 12158.7 1023.27 2 -1 0 9 9.07173 192.445 2 -1 0 8 3238.17 481.774 2 -1 0 7-148.324 161.092 2 -1 0 7-123.261 152.318 1 -1 0 6-105.614 152.749 2 -1 0 6 46.0405 117.743 1 -1 0 5 147.317 137.044 1 -1 0 4-58.5092 111.514 1 -1 0 3 221.879 138.313 1 1 0 -2 269721. 3684.55 1 -1 0 2 269327. 3685.65 1 1 0 -1 82.2088 80.1001 1 -1 0 1 184.655 89.8691 1 1 0 0 140837. 1950.85 1 -1 0 -1 19.4707 67.4517 2 1 0 1 25.0606 63.0154 2 -1 0 -2 927666. 11216.2 2 1 0 2 916044. 11179.8 2 1 0 3 112.673 131.358 2 1 0 4 317410. 4768.85 2 1 0 5-172.012 158.469 2 1 0 6 19449.1 966.867 2 1 0 7 52.6712 152.238 2 1 0 8 43029.5 1709.89 2 1 0 9-158.740 193.969 2 1 0 10 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164146. 2729.72 2 -1 -1 -3 167700. 2777.86 2 1 -1 3 167672. 2694.70 2 1 -1 4 11257.6 606.632 2 1 1 4 9954.33 574.161 2 1 1 5 718.891 218.215 2 1 -1 5 456.775 184.917 2 1 -1 6 5043.56 516.595 2 1 1 6 4633.45 481.050 2 1 -1 7-201.803 221.247 2 1 1 7-19.4565 150.824 2 1 1 8 1436.10 366.232 2 1 -1 8 839.496 257.446 2 1 -1 9 6324.06 710.522 2 1 1 9 4631.93 619.930 2 1 -1 10 247.797 212.896 2 1 1 10 365.880 231.470 2 1 -1 11-5.29794 226.174 2 1 1 11 1055.25 361.967 2 -1 2 12 10034.2 1078.61 2 -1 -2 12 8800.65 1018.42 2 -1 2 11 11349.5 1083.41 2 -1 -2 11 12564.8 1112.58 2 -1 2 10 4502.02 658.164 2 -1 -2 10 3715.99 589.489 2 -1 2 9 6858.61 724.624 2 -1 -2 9 6504.29 708.060 2 -1 2 8 1744.16 368.944 2 -1 -2 8 816.345 308.230 2 -1 2 7 9276.50 604.409 1 -1 2 7 8129.66 717.757 2 -1 2 6 72551.1 1995.78 2 -1 2 6 71458.7 1721.84 1 -1 2 5 2281.65 270.485 1 -1 2 5 2089.25 308.529 2 -1 2 4 247.707 117.757 1 -1 2 4 371.617 169.583 2 -1 2 3 3162.77 264.006 1 -1 2 3 3670.67 312.533 2 1 -2 -3 3800.58 287.012 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7267.50 395.632 2 -2 -3 -1 7589.97 402.906 2 2 -3 1 8233.46 265.920 2 2 3 1 8002.97 322.059 1 2 -3 2 60998.0 1203.20 2 2 3 2 60859.0 1393.93 2 2 3 2 61149.0 1019.93 1 -2 -3 -2 61875.2 1412.45 2 2 3 3 12823.4 638.170 2 2 3 3 13203.5 367.954 1 2 -3 3 13493.4 572.708 2 -2 -3 -3 13237.1 651.246 2 -2 -3 -4 38253.2 1287.14 2 2 -3 4 35086.6 1100.94 2 2 3 4 35999.2 1221.74 2 2 -3 5 691.599 201.455 2 2 3 5 1097.36 265.490 2 2 -3 6 67782.9 1946.88 2 2 3 6 65234.2 1956.61 2 2 -3 7 2333.10 408.203 2 2 3 7 1416.35 339.637 2 2 -3 8 1051.29 313.135 2 2 3 8 809.660 328.276 2 2 -3 9 5564.91 676.022 2 2 3 9 4384.22 612.272 2 2 3 10 1075.54 363.884 2 2 -3 10 1410.84 387.327 2 2 -3 11 586.341 296.697 2 2 3 11 70.3357 272.892 2 -2 -4 12 2578.28 548.992 2 -2 4 12 3635.23 689.145 2 -2 -4 11 24875.0 1560.25 2 -2 4 11 21740.5 1443.89 2 -2 4 10 577.020 382.772 2 -2 4 9 1231.92 372.529 2 -2 4 8 2882.63 457.579 2 -2 4 7 4729.35 519.860 2 2 -4 -6 947.619 248.628 1 -2 4 6 692.440 174.916 1 -2 4 6 641.216 193.135 2 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11 4555.14 688.787 2 -2 11 10 1399.66 487.345 2 -2 11 9 1367.31 370.937 2 -2 11 8 4369.73 600.996 2 2 -11 -8 3936.47 452.288 1 2 -11 -7 1810.14 312.024 1 -2 11 7 1679.80 357.814 2 2 -11 -6 5447.55 509.276 1 -2 11 6 5982.27 600.504 2 2 -11 -5 186.629 156.301 1 -2 11 5 203.267 170.851 2 -2 11 4 6160.59 537.794 2 2 -11 -4 6714.07 547.931 1 -2 11 3 640.738 185.467 2 2 -11 -3 807.232 187.800 2 -2 11 2 17086.4 790.904 2 2 -11 -2 16984.7 793.930 2 2 11 -2 17129.5 930.968 2 -2 11 1 2964.75 330.548 2 2 11 -1 3217.79 426.080 2 2 -11 -1 2651.93 295.936 2 -2 11 0 820.100 186.257 2 2 11 0 541.484 252.433 2 2 -11 0 581.533 161.058 2 2 11 1 4376.15 477.350 2 -2 11 -1 5026.20 390.997 2 2 -11 1 4217.24 365.816 2 2 -11 2 30328.0 1057.43 2 2 11 2 31024.2 1295.37 2 -2 -11 -3 6354.63 263.824 1 2 -11 3 6227.44 499.492 2 2 11 3 6796.03 617.819 2 2 11 4 29376.4 1351.32 2 2 11 5 78.2842 205.166 2 2 11 6 11796.1 938.578 2 2 11 7 2667.41 504.802 2 2 11 8 3186.50 561.484 2 2 11 9 1587.37 378.598 2 2 -11 10-439.546 262.903 2 -2 12 10 12944.1 1113.41 2 -2 12 9 4275.45 621.579 2 2 -12 -8 275.750 171.492 1 -2 12 8 950.676 272.997 2 2 -12 -7 5684.76 546.560 1 -2 12 7 5831.86 644.788 2 2 -12 -6 6829.27 581.153 1 -2 12 6 7721.23 699.711 2 2 -12 -5 805.832 248.488 1 -2 12 5 1070.60 276.657 2 -2 12 4 14409.1 831.157 2 2 -12 -4 13146.4 791.902 1 2 12 -3 3623.20 464.600 2 -2 12 3 3406.83 385.957 2 2 12 -2 25966.5 1215.13 2 -2 12 2 26450.1 1038.81 2 2 -12 -2 28601.0 1078.90 2 -2 12 1 6540.47 493.194 2 2 -12 -1 6719.03 496.811 2 2 12 -1 6514.53 584.853 2 -2 12 0 47408.9 1358.64 2 2 12 0 48814.9 1658.58 2 2 -12 0 46604.8 1362.99 2 -2 12 -1 698.294 161.526 2 2 12 1 869.886 267.743 2 2 -12 1 696.986 194.167 2 2 12 2 61441.2 1951.07 2 2 -12 2 60088.6 1630.62 2 2 -12 3 7774.09 572.313 2 2 12 3 7193.72 654.028 2 2 12 4 38158.8 1615.26 2 2 12 5 10823.3 897.811 2 2 12 6 4760.46 614.537 2 2 12 7-313.284 272.323 2 2 12 8 1251.73 374.580 2 2 12 9 4785.23 699.705 2 2 -12 10 464.359 287.025 2 -2 13 10 1492.32 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43230.5 1745.51 2 2 15 -1 9738.46 795.891 2 -2 15 1 10522.4 716.270 2 2 15 0 5056.98 589.912 2 -2 15 0 4900.01 482.356 2 -2 15 -1 674.350 232.198 2 2 15 1 114.189 178.997 2 2 15 2 5280.61 628.603 2 2 15 3 54176.7 2040.29 2 2 15 4 22092.6 1306.12 2 2 15 5 4684.71 638.027 2 2 15 6 4986.01 670.505 2 2 15 7 47.9933 262.626 2 2 15 8 1728.39 462.580 2 -2 16 9 734.210 353.872 2 -2 16 8 2929.84 515.918 2 2 -16 -7 1917.79 337.345 1 -2 16 7 1874.73 419.643 2 2 -16 -6 8246.24 692.222 1 -2 16 6 9430.57 848.607 2 -2 16 5 25307.7 1330.35 2 2 -16 -5 26029.5 1256.53 1 -2 16 4 154.600 161.084 2 2 16 -3 31.4008 187.513 2 -2 16 3 602.590 267.562 2 -2 16 2 4697.87 516.117 2 2 16 -2 4759.79 612.070 2 -2 16 1 353.346 169.438 2 2 16 -1 424.194 245.946 2 -2 16 0 3885.34 460.731 2 2 16 0 3542.69 503.407 2 -2 16 -1-93.5339 170.258 2 2 16 1-498.716 239.862 2 2 16 2 7309.03 730.815 2 2 16 3 578.346 314.864 2 2 16 4 16051.4 1145.42 2 2 16 5 7080.86 783.874 2 2 16 6 1344.56 406.717 2 2 16 7 1600.24 489.564 2 -2 17 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31722.9 1026.96 2 4 -4 -1 32500.0 1259.08 1 -4 -4 1 29382.1 1091.20 1 -4 -4 1 30577.7 998.112 2 4 4 -1 31562.4 1119.91 1 4 -4 0 3002.88 368.496 1 -4 -4 0 2781.87 320.150 1 4 4 0 2873.31 317.891 2 -4 -4 0 2967.50 299.620 2 4 4 0 2985.05 332.550 1 4 4 1 2267.33 267.660 1 4 4 1 2106.93 271.990 2 -4 -4 -1 2512.11 296.199 2 4 4 2 984.494 204.977 2 4 -4 2 923.868 117.480 2 4 4 2 824.046 149.791 1 -4 -4 -2 842.949 198.813 2 -4 -4 -3 1578.75 274.199 2 4 4 3 1136.06 182.553 1 4 4 3 1339.30 264.087 2 4 -4 3 1157.12 171.292 2 4 4 4 3701.54 289.355 1 4 4 4 3515.78 422.252 2 4 -4 4 3457.33 320.029 2 4 4 5 1110.41 157.594 1 4 4 5 1121.99 282.287 2 4 -4 5 918.418 212.542 2 4 4 6 11034.9 842.717 2 4 -4 6 9175.36 663.413 2 4 4 7 4394.16 595.274 2 4 -4 7 4004.93 482.470 2 4 4 8 1064.70 373.454 2 4 -4 8 1175.43 327.134 2 4 4 9 806.525 362.734 2 4 4 10 305.811 273.756 2 -4 5 12 3166.49 624.011 2 -4 5 11 842.819 361.147 2 -4 5 10 1619.25 409.625 2 -4 5 9 5448.54 658.573 2 4 -5 -8 4796.95 555.725 1 -4 5 8 5598.19 601.880 2 -4 5 7 265.417 200.263 2 4 -5 -7-222.196 256.325 1 -4 5 6 1489.35 264.202 2 4 -5 -6 1294.62 300.178 1 4 -5 -5 19343.1 1080.29 1 -4 5 5 19033.8 862.982 2 -4 -5 4-72.5745 121.988 2 4 -5 -4-129.346 176.158 1 -4 5 4 98.4300 97.9086 2 4 -5 -3 5223.87 504.824 1 -4 -5 3 5844.27 488.720 2 -4 5 3 5301.85 318.805 2 4 -5 -2 105313. 2537.58 1 -4 -5 2 106748. 2407.53 1 -4 -5 2 104311. 2198.35 2 -4 5 2 99747.3 1480.63 2 4 5 -1 1530.53 244.219 2 4 -5 -1 1896.10 295.023 1 -4 -5 1 2153.03 279.481 2 -4 -5 1 1749.32 244.044 1 4 5 0 129.911 126.518 2 -4 -5 0-18.1972 98.1045 1 -4 -5 0 165.231 131.217 2 4 5 0 128.013 102.213 1 4 5 1 20367.3 871.887 2 -4 -5 -1 20443.7 874.092 2 4 5 1 20706.5 796.708 1 4 -5 2 27712.7 645.882 2 4 5 2 28739.5 1092.98 2 4 -5 2 28095.1 647.491 2 -4 -5 -2 28803.6 1094.49 2 4 5 2 29545.2 903.678 1 4 5 3 46525.8 1498.39 2 4 5 3 43378.3 1059.42 1 4 -5 3 45395.0 1081.11 2 4 5 4 5966.79 559.770 2 4 5 4 4914.56 284.085 1 4 -5 4 5205.37 397.037 2 4 5 5 1467.01 318.571 2 4 -5 5 1729.67 256.716 2 4 5 6 2115.89 389.604 2 4 -5 6 1423.30 290.292 2 4 5 7 10879.5 892.569 2 4 -5 7 9144.30 733.525 2 4 5 8 5502.32 680.897 2 4 -5 8 6148.41 642.373 2 4 5 9 6888.71 805.511 2 4 5 10 2626.26 538.753 2 -4 6 12 873.125 365.035 2 -4 6 11 8786.15 927.884 2 -4 6 10 3203.14 553.220 2 -4 6 9 515.744 270.317 2 -4 6 8 14979.1 975.622 2 4 -6 -8 13003.0 953.117 1 4 -6 -7 431.059 203.007 1 -4 6 7 696.875 259.450 2 4 -6 -6 1643.35 358.889 1 -4 6 6 1879.46 311.851 2 4 -6 -5 41684.9 1681.82 1 -4 6 5 42219.5 1319.90 2 4 -6 -4 19940.8 1040.49 1 -4 6 4 21320.1 791.764 2 -4 -6 3 22606.1 991.524 2 4 -6 -3 22911.9 1112.02 1 -4 6 3 23006.4 704.928 2 4 -6 -2 12034.4 801.211 1 4 6 -2 10966.0 671.530 2 -4 -6 2 12038.8 689.768 2 -4 6 2 10564.1 337.801 2 4 -6 -1 9108.64 684.609 1 4 6 -1 8579.26 576.203 2 -4 -6 1 8024.39 551.917 1 -4 -6 1 8853.82 576.969 2 -4 -6 0 5763.56 442.554 1 4 6 0 6914.85 529.510 2 -4 -6 0 6287.17 494.423 2 4 6 1 3526.78 371.753 2 -4 -6 -1 3379.73 313.710 1 -4 -6 -1 3935.81 391.937 2 4 6 2 7392.97 570.035 2 4 -6 2 6469.33 278.322 2 -4 -6 -2 6478.35 540.969 2 4 -6 2 6400.24 278.264 2 4 6 3 1825.34 313.295 2 4 -6 3 1623.03 195.178 2 4 6 4 18488.6 986.562 2 4 -6 4 16531.2 723.361 2 4 -6 5 66.9677 139.055 2 4 6 5 216.689 203.626 2 4 6 6 13326.3 974.138 2 4 -6 6 13944.9 825.164 2 4 6 7 9208.34 857.532 2 4 -6 7 8213.29 697.361 2 4 6 8 3039.15 546.523 2 4 -6 8 3195.85 486.642 2 4 6 9 202.036 224.801 2 -4 7 11 704.662 357.164 2 -4 7 10-200.208 227.208 2 4 -7 -9 5347.50 660.598 1 -4 7 9 5018.66 600.488 2 4 -7 -8 440.862 254.371 1 -4 7 8-6.74899 222.203 2 4 -7 -7 39044.2 1643.72 1 -4 7 7 41682.7 1567.11 2 4 -7 -6 1099.09 307.835 1 -4 7 6 1058.29 264.849 2 4 -7 -5 57306.2 1931.08 1 -4 7 5 56146.4 1556.45 2 4 -7 -4 983.748 267.784 1 -4 7 4 918.200 183.869 2 4 -7 -3 3198.54 436.749 1 -4 7 3 3288.83 265.878 2 4 7 -2 14511.2 798.604 2 4 -7 -2 15787.7 929.748 1 -4 -7 2 15287.3 810.427 2 -4 7 2 14243.0 432.286 2 4 7 -1 7288.03 556.517 2 -4 -7 1 6844.02 520.209 1 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1044.43 390.901 2 -5 2 11 6596.21 834.194 2 -5 -2 11 6591.31 850.150 2 -5 2 10 2310.25 442.402 2 -5 2 9 1247.67 332.719 2 -5 2 8 3142.92 448.029 2 -5 2 7 3599.84 477.119 2 5 -2 -7 3955.73 564.682 1 -5 2 6 4274.33 472.489 2 5 -2 -6 3914.38 540.077 1 -5 2 5 12998.4 703.947 2 5 -2 -5 12855.9 919.923 1 5 2 -4 861.954 283.660 1 -5 -2 4 293.433 148.140 2 -5 2 4 571.424 167.150 2 5 -2 -4 602.137 253.000 1 5 -2 -3 2844.95 457.320 1 -5 -2 3 1788.65 232.955 2 -5 2 3 2199.50 210.641 2 5 2 -3 2342.79 393.143 1 -5 2 2 10038.0 355.941 2 5 -2 -2 11233.4 788.528 1 -5 -2 2 10468.2 545.243 2 -5 2 2 9405.91 339.908 2 5 2 -2 10896.9 745.593 1 5 -2 -1 10698.1 706.447 1 -5 -2 1 11651.8 556.863 2 5 -2 0 14369.2 867.179 1 5 2 0 14834.8 636.194 2 5 2 0 14843.1 841.434 1 -5 -2 0 14536.9 618.550 2 5 -2 1 254.310 49.8441 2 5 2 1 290.995 185.284 1 5 2 1 337.878 138.321 2 5 -2 1 122.875 165.788 1 -5 -2 -1 226.625 82.0000 2 -5 -2 -2 128.060 92.6602 2 5 -2 2 68.9385 124.525 1 5 -2 2 19.7131 69.3836 2 5 2 2 35.9774 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719.978 2 5 -6 -9 495.519 295.539 1 -5 6 9 122.418 196.322 2 5 -6 -8 1409.65 390.039 1 -5 6 8 2085.50 368.153 2 5 -6 -7 744.362 280.020 1 -5 6 7 509.123 149.363 2 5 -6 -6 6559.67 701.866 1 -5 6 6 7558.49 568.489 2 5 -6 -5 24233.7 1385.25 1 -5 6 5 20598.7 863.834 2 5 -6 -4 48853.1 1841.79 1 -5 6 4 48001.2 1205.40 2 -5 6 3-37.4537 54.9171 2 5 -6 -3-71.4844 159.100 1 -5 -6 2 1613.88 275.333 2 5 -6 -2 1674.85 359.790 1 5 6 -1 10.3581 141.486 2 5 -6 -1-102.645 180.377 1 -5 -6 1-124.681 130.698 2 5 -6 0 3472.66 470.909 1 5 6 0 2980.42 378.354 2 -5 -6 0 3292.76 385.851 1 -5 -6 0 3259.05 375.674 2 5 6 1 37.7475 119.831 2 5 6 2 1684.94 326.147 2 5 6 3 448.015 156.776 2 5 6 4 1515.92 296.698 2 5 6 5 825.747 227.101 2 5 6 6 1861.02 397.562 2 5 6 7 1643.80 390.760 2 5 6 8 3584.89 584.053 2 -5 7 11 115.246 266.433 2 -5 7 10 91.2166 198.919 2 5 -7 -9 811.541 309.823 1 -5 7 9 661.370 295.483 2 5 -7 -8 5269.31 670.173 1 -5 7 8 6405.30 648.806 2 5 -7 -7 31.9265 171.709 1 -5 7 7-230.605 192.518 2 5 -7 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804.629 2 5 13 5 8091.96 865.354 2 5 13 6 1407.51 419.504 2 -5 14 10 1608.11 430.704 2 5 -14 -10 1412.41 427.341 1 -5 14 9 1187.11 349.837 2 5 -14 -9 1071.96 346.907 1 5 -14 -8 856.866 401.285 1 -5 14 8 772.125 291.755 2 5 -14 -7 382.793 338.967 1 -5 14 7 428.183 247.354 2 -5 14 6 1012.61 294.435 2 5 -14 -6 579.659 286.189 1 5 -14 -5-119.165 196.245 1 5 -14 -4 629.204 347.546 1 5 -14 -3 4970.95 683.212 1 5 -14 -2 1606.46 435.152 1 5 14 -2 2394.89 452.039 2 5 14 -1 28670.6 1506.52 2 5 14 0 286.406 253.515 2 5 14 1 230.876 254.471 2 5 14 2-319.042 301.765 2 5 14 3 387.122 232.931 2 5 14 4 372.850 329.777 2 5 14 5 5214.75 721.629 2 5 14 6 906.973 346.735 2 5 -15 -10 2728.05 559.596 1 5 -15 -9 730.068 350.719 1 5 -15 -8 839.140 296.771 1 5 -15 -7-25.6438 221.392 1 5 -15 -6-328.194 192.625 1 5 -15 -5 2865.77 535.394 1 5 -15 -4 34.7788 238.175 1 5 -15 -3 82.2276 206.859 1 5 15 -2 2966.32 516.577 2 5 15 -1 286.535 302.842 2 5 15 0 2672.38 514.791 2 5 15 1 745.557 333.387 2 5 15 2 1084.29 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685.017 1 5 18 -2 8.09758 220.199 2 5 18 -1 401.474 334.282 2 5 18 0-18.4094 250.299 2 5 18 1 539.680 260.639 2 5 18 2 831.139 303.892 2 5 18 3 134.814 257.893 2 5 -19 -7 255.393 285.858 1 5 -19 -6 162.578 281.948 1 5 -19 -5 554.580 293.332 1 5 -19 -4 3989.57 674.454 1 5 -19 -3 579.340 320.595 1 5 19 -2 554.345 293.842 2 5 19 -1 333.002 231.007 2 5 19 0 1897.58 494.592 2 5 19 1 4580.39 728.949 2 5 19 2 1718.68 495.067 2 5 -20 -5 79.5765 225.300 1 5 -20 -4 197.940 332.715 1 5 -20 -3 2286.41 527.136 1 5 20 -2 307.052 294.364 2 5 20 -1 5192.75 786.225 2 -6 0 11 130.275 229.293 2 -6 0 10 1288.35 411.552 2 -6 0 9 29.8265 217.044 2 -6 0 8 4949.58 631.836 2 6 0 -6 14155.0 1081.97 1 6 0 -5-392.595 306.258 1 6 0 -4-356.320 281.705 1 -6 0 3 147.850 100.199 2 6 0 -3 209.276 225.664 1 6 0 -2 9296.00 766.425 1 -6 0 2 8479.64 416.055 2 6 0 -1-149.357 274.832 1 6 0 0 10564.7 809.876 1 6 0 1 89.0968 73.3080 2 6 0 1 129.980 134.040 1 6 0 2 6394.46 599.049 1 6 0 3 26.5733 146.634 1 6 0 4 16715.8 937.403 1 -6 1 11 453.951 260.230 2 -6 -1 11 696.940 332.943 2 -6 1 10-64.1427 237.128 2 -6 -1 10-202.924 210.031 2 -6 1 9 558.995 277.454 2 -6 -1 9 489.659 271.359 2 -6 1 8 964.145 311.226 2 -6 1 7 577.245 217.865 2 6 -1 -7 36.0001 291.685 1 6 -1 -6 1179.46 367.624 1 6 1 -6 1459.29 384.961 1 6 -1 -5 543.595 259.934 1 6 1 -5 578.091 276.148 1 -6 -1 4 1934.92 265.074 2 6 1 -4 2824.16 451.027 1 6 -1 -4 2752.37 467.274 1 -6 -1 3 9495.26 536.268 2 6 -1 -3 8960.52 785.736 1 6 1 -3 8866.88 775.082 1 6 -1 -2 46.4999 194.575 1 -6 -1 2 207.931 85.1974 2 6 1 -2 40.8999 142.095 1 6 -1 -1 1395.75 321.461 1 6 1 -1 1387.18 325.166 1 6 1 0 582.731 240.947 1 6 -1 0 613.480 227.958 1 6 1 1 3925.46 490.040 1 6 1 1 3240.60 285.996 2 6 -1 1 2886.14 396.478 1 6 1 2 119.733 134.225 2 6 -1 2 48.8136 137.175 1 6 1 2-248.940 167.084 1 6 -1 3-0.30792 132.978 1 6 1 3 108.234 137.260 1 6 -1 4 1417.47 323.533 1 -6 2 11 1593.65 467.111 2 -6 -2 11 1053.06 364.144 2 -6 2 10 545.493 266.528 2 -6 -2 10 1794.04 454.277 2 -6 2 9 619.074 281.820 2 -6 2 8 710.133 273.661 2 -6 2 7 4424.71 506.732 2 6 -2 -7 4212.89 647.113 1 -6 2 6 1632.50 325.593 2 6 -2 -6 1860.76 407.110 1 6 -2 -5 62.0254 171.509 1 -6 2 5 61.0863 125.852 2 -6 2 4 4081.65 341.305 2 6 -2 -4 3571.21 527.098 1 6 2 -4 4003.46 548.220 1 -6 -2 4 3635.45 377.807 2 -6 2 3 13185.2 502.137 2 -6 -2 3 13438.7 681.706 2 6 -2 -3 15907.7 1072.76 1 6 2 -3 15030.4 999.176 1 6 -2 -2-105.197 203.432 1 6 2 -2 131.299 173.137 1 -6 -2 2 38.9099 108.614 2 6 -2 -1 297.104 174.693 1 6 2 -1 698.920 263.785 1 6 2 0 767.338 162.229 2 6 2 0 839.563 259.450 1 6 -2 0 980.178 262.941 1 6 -2 1 5767.60 583.677 1 6 2 1 5153.36 403.119 2 6 2 1 5233.86 542.597 1 6 -2 2 5557.10 598.990 1 6 2 2 6223.87 464.348 2 6 2 2 5641.01 559.609 1 6 -2 3 8883.56 739.745 1 6 2 3 10404.7 737.031 1 6 -2 4 14839.7 959.930 1 -6 3 11 631.007 291.755 2 -6 -3 11 673.410 348.121 2 -6 3 10 319.194 239.418 2 -6 3 9 1333.81 346.328 2 -6 3 8 830.858 307.783 2 6 -3 -8 1923.22 447.048 1 6 -3 -7 950.161 382.418 1 -6 3 7 748.347 243.030 2 -6 3 6 1334.59 261.147 2 6 -3 -6 1392.34 378.497 1 -6 3 5 4398.75 402.757 2 6 -3 -5 3948.66 560.988 1 -6 3 4 12426.5 565.752 2 6 3 -4 12935.3 984.073 1 -6 -3 4 11882.7 713.798 2 6 -3 -4 13269.7 1001.79 1 6 -3 -3 1147.33 390.571 1 -6 -3 3 1047.23 228.877 2 6 3 -3 934.904 338.041 1 -6 3 3 859.644 109.893 2 6 -3 -2 14831.4 1016.26 1 -6 -3 2 14873.9 723.669 2 6 3 -2 16516.8 1015.37 1 6 3 -1 293.297 157.582 1 6 -3 -1 224.010 183.310 1 6 -3 0 11469.0 845.766 1 6 3 0 11343.9 623.910 2 6 3 0 12441.9 823.782 1 6 3 1 311.000 136.171 2 6 -3 1 115.124 259.554 1 6 3 1 208.192 154.733 1 6 3 2 242.095 142.597 2 6 -3 2 273.354 239.588 1 6 3 2 14.9457 114.068 1 6 -3 3-47.0084 158.515 1 6 3 3 110.130 152.005 1 6 -3 4 8118.69 729.345 1 6 -3 5 4612.93 559.262 1 -6 4 11 957.061 373.373 2 -6 4 10 2068.16 442.128 2 -6 4 9 197.082 165.231 2 -6 4 8-187.841 189.493 2 6 -4 -8 344.945 307.878 1 -6 4 7 448.480 186.682 2 6 -4 -7 696.728 290.717 1 6 -4 -6 902.871 289.660 1 -6 4 6 804.357 201.991 2 6 -4 -5 6780.95 722.531 1 -6 4 5 7183.40 490.182 2 6 -4 -4 4875.10 655.860 1 -6 4 4 5180.87 331.534 2 6 4 -3 22613.6 1232.17 1 6 -4 -3 21065.8 1277.26 1 -6 -4 3 21116.3 957.566 2 6 4 -2 6226.51 647.216 1 6 -4 -2 6487.33 688.172 1 -6 -4 2 5838.90 483.981 2 6 -4 -1 9918.14 791.675 1 -6 -4 1 9044.24 582.874 2 6 4 -1 10907.7 791.669 1 6 4 0 1327.88 259.005 2 6 -4 0 1684.06 372.028 1 6 4 0 1526.91 294.314 1 6 -4 1 10084.2 828.822 1 6 4 1 10011.4 631.752 2 6 4 1 10523.8 720.427 1 6 4 2 780.279 233.035 1 6 4 2 909.482 229.594 2 6 -4 2 328.299 201.580 1 6 -4 3 2438.91 424.420 1 6 4 3 1956.07 326.303 2 6 -4 4 9.47421 211.648 1 6 4 4 620.993 220.543 2 6 -4 5 337.081 194.555 1 -6 5 11 132.102 212.678 2 -6 5 10 299.637 200.285 2 -6 5 9 699.053 283.726 2 6 -5 -9 1047.14 358.983 1 -6 5 8 259.807 187.267 2 6 -5 -8 267.218 249.385 1 -6 5 7 3670.18 443.051 2 6 -5 -7 3342.00 545.940 1 6 -5 -6 1837.13 434.479 1 -6 5 6 1364.59 266.036 2 6 -5 -5 1028.04 325.422 1 -6 5 5 1047.84 196.307 2 6 -5 -4 6029.88 747.982 1 -6 5 4 5526.15 326.641 2 6 -5 -3 76355.8 2470.72 1 -6 -5 2 3028.23 374.782 2 6 -5 -2 2697.47 452.490 1 6 5 -1 596.190 201.302 2 -6 -5 1 248.156 110.442 2 6 5 -1 216.526 138.799 1 6 5 0 249.195 141.739 2 6 5 0 201.259 137.342 1 6 -5 0 194.368 193.550 1 6 -5 1 4982.32 615.439 1 6 5 1 4103.48 445.558 2 6 5 1 4320.30 473.604 1 6 -5 2 13213.6 972.293 1 6 5 2 13569.8 811.621 2 6 5 2 12422.0 754.384 1 6 -5 3 4760.03 598.081 1 6 5 3 5009.46 516.904 2 6 -5 4 5351.24 633.578 1 6 5 4 5293.10 557.378 2 -6 6 11 705.688 296.691 2 -6 6 10 4030.84 594.921 2 6 -6 -9 874.136 350.212 1 -6 6 9-121.982 222.289 2 6 -6 -8 2268.34 471.242 1 -6 6 8 522.247 168.011 2 6 -6 -7 2893.72 543.155 1 -6 6 7 2840.83 400.338 2 6 -6 -6 1794.36 439.616 1 -6 6 6 2147.77 309.035 2 6 -6 -5 2177.06 477.467 1 -6 6 5 1935.34 243.579 2 6 -6 -4 4771.39 660.622 1 6 -6 -3 32957.6 1577.90 1 6 -6 -2 8600.66 802.723 1 6 6 -1 2178.12 348.592 2 6 -6 -1 2084.92 413.967 1 6 6 0 3587.50 420.586 2 6 -6 0 3453.32 504.979 1 6 6 1 1218.27 250.626 2 6 -6 1 1149.94 331.555 1 6 -6 2 3474.95 530.455 1 6 6 2 3682.37 457.753 2 6 -6 3 10176.2 865.303 1 6 6 3 9781.63 746.825 2 6 6 4 1034.29 300.905 2 -6 7 11 504.542 280.095 2 -6 7 10 1074.90 303.308 2 6 -7 -9 1610.55 445.341 1 -6 7 9 3680.34 532.708 2 6 -7 -8 206.741 202.071 1 -6 7 8 104.739 188.854 2 -6 7 7 2445.12 348.755 2 6 -7 -7 2092.64 461.257 1 6 -7 -6 584.440 344.988 1 -6 7 6 45.8418 128.944 2 6 -7 -5 47.8863 231.597 1 6 -7 -4 33014.4 1648.43 1 6 -7 -3 22840.9 1279.30 1 6 -7 -2 3656.65 541.772 1 6 -7 -1 8949.27 832.108 1 6 7 -1 9100.56 697.589 2 6 7 0 364.110 171.503 2 6 -7 0 45.9858 192.766 1 6 -7 1 44.6707 217.172 1 6 7 1 33.8483 211.345 2 6 -7 2 4183.94 575.423 1 6 7 2 4497.23 514.074 2 6 7 3 671.481 271.987 2 6 7 4 4059.10 518.726 2 6 7 5 1703.59 345.579 2 -6 8 11 154.246 291.569 2 6 -8 -10 531.555 354.867 1 -6 8 10 502.212 263.355 2 6 -8 -9 122.154 265.492 1 -6 8 9-319.770 201.017 2 6 -8 -8 235.793 232.060 1 -6 8 8 320.195 199.589 2 6 -8 -7 572.780 277.490 1 -6 8 7 512.278 198.621 2 6 -8 -6 178.802 219.716 1 6 -8 -5 841.653 304.503 1 6 -8 -4 6511.08 753.320 1 6 -8 -3 1970.80 432.971 1 6 -8 -2 5887.89 692.434 1 6 8 -1 649.061 251.959 2 6 -8 -1 698.265 257.530 1 6 8 0 396.059 231.190 2 6 -8 0 463.611 263.984 1 6 -8 1 15667.9 1096.24 1 6 8 1 17660.8 1028.21 2 6 8 2 168.194 160.707 2 6 8 3 1291.34 329.827 2 6 8 4 1793.08 368.064 2 6 8 5-25.9525 173.170 2 6 -9 -10 5205.83 791.389 1 6 -9 -9 1641.54 457.736 1 6 -9 -8-84.1616 221.464 1 6 -9 -7-72.5755 273.056 1 6 -9 -6 135.122 233.567 1 6 -9 -5 244.062 234.636 1 6 -9 -4 9890.67 876.635 1 6 -9 -3 6548.78 746.442 1 6 -9 -2 3032.00 509.457 1 6 9 -1 304.805 192.779 2 6 -9 -1 185.949 198.957 1 6 -9 0 129.892 206.886 1 6 9 0 511.767 227.931 2 6 -9 1 2368.02 437.874 1 6 9 1 1765.23 372.091 2 6 9 2 6182.96 663.845 2 6 9 3 221.383 191.872 2 6 9 4 953.579 301.428 2 6 9 5 332.961 241.289 2 6 -10 -10 557.140 216.079 1 6 -10 -9 920.265 375.063 1 6 -10 -8 535.570 251.565 1 6 -10 -7 750.011 249.686 1 6 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375.999 294.087 1 8 -8 -2 311.108 198.347 1 8 -8 -1 288.079 250.245 1 8 -8 0 803.727 306.164 1 8 -8 1 5544.20 765.129 1 9 0 -2 791.347 337.097 1 9 0 -1-474.220 349.177 1 9 1 -3 119.691 268.363 1 9 -1 -2-298.752 318.548 1 9 1 -2-478.428 329.411 1 9 1 -1 877.451 281.221 1 9 -1 -1 1103.86 342.904 1 9 2 -3-324.688 259.757 1 9 2 -2-271.143 186.147 1 9 -2 -1-205.227 200.479 1 9 -2 0 1876.56 439.809 1 9 3 -2 229.467 232.925 1 0 0 0 0.00 0.00 0 TITL MF1912 in P2(1)/c REM P2(1)/c (#14 in standard setting) CELL 0.71073 7.083584 20.284949 10.306103 90.0000 103.8245 90.0000 ZERR 4.00 0.000373 0.001213 0.000574 0.0000 0.0053 0.0000 LATT 1 SYMM -x, y+1/2,-z+1/2 SFAC C H N O UNIT 56.00 72.00 16.00 8.00 TREF HKLF 4 END ; _shelx_hkl_checksum 98197 #===END