data_randres-6rat89-15 _audit_creation_date 2020-03-10 _audit_creation_method ; Olex2 1.3-alpha (compiled 2019.10.11 svn.r3662 for OlexSys, GUI svn.r5962) ; _shelx_SHELXL_version_number '2018/3' _audit_author_name 'Farzaneh Fadaei Tirani' _audit_contact_author 'Farzaneh Fadaei Tirani' _audit_contact_author_address ; Dr. Farzaneh Fadaei Tirani EPFL SB ISIC-GE BCH 2111 (Batochime UNIL) Av. F.-A. Forel 2 CH-1015 Lausanne Suisse ; _audit_contact_author_email farzaneh.fadaeitirani@epfl.ch _audit_contact_author_phone '+41 21 693 9840' _publ_contact_author_id_orcid https://orcid.org/0000-0002-7515-7593 _publ_section_references ; CrysAlisPro Software System, Rigaku Oxford Diffraction, (2020). Sheldrick, G.M., ShelXT-Integrated space-group and crystal-structure determination, Acta Cryst., (2015), A71, 3-8. Sheldrick, G.M., Crystal structure refinement with ShelXL, Acta Cryst., (2015), C71, 3-8. O.V. Dolomanov, L.J. Bourhis, R.J. Gildea, J.A.K. Howard, H. Puschmann, Olex2: A complete structure solution, refinement and analysis program, J. Appl. Cryst., (2009), 42, 339-341. ; _chemical_name_common ? _chemical_name_systematic ? _chemical_formula_moiety 'C15 H18 N2 O' _chemical_formula_sum 'C15 H18 N2 O' _chemical_formula_weight 242.31 _chemical_absolute_configuration rmad _chemical_melting_point ? _chemical_oxdiff_formula 'C15 H18 N2 O' loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _space_group_crystal_system 'monoclinic' _space_group_IT_number 4 _space_group_name_H-M_alt 'P 1 21 1' _space_group_name_Hall 'P 2yb' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z' _cell_length_a 7.28461(18) _cell_length_b 8.30644(17) _cell_length_c 11.2310(3) _cell_angle_alpha 90 _cell_angle_beta 107.116(3) _cell_angle_gamma 90 _cell_volume 649.48(3) _cell_formula_units_Z 2 _cell_measurement_reflns_used 6915 _cell_measurement_temperature 140.00(10) _cell_measurement_theta_max 72.4800 _cell_measurement_theta_min 4.0640 _shelx_estimated_absorpt_T_max 0.932 _shelx_estimated_absorpt_T_min 0.642 _exptl_absorpt_coefficient_mu 0.619 _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_correction_T_min 0.196 _exptl_absorpt_correction_type Gaussian _exptl_absorpt_process_details ; CrysAlisPro 1.171.40.71a (Rigaku Oxford Diffraction, 2020) Numerical absorption correction based on Gaussian integration over a multifaceted crystal model. Empirical absorption correction using spherical harmonics as implemented in SCALE3 ABSPACK scaling algorithm ; _exptl_absorpt_special_details ? _exptl_crystal_colour 'clear colourless' _exptl_crystal_density_diffrn 1.239 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_description plate _exptl_crystal_F_000 260 loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist 1 0 0 0.0577 0 0 -1 0.2616 0 -1 -1 0.3432 0 1 1 0.3262 0 -1 1 0.1711 0 1 -1 0.1711 -1 0 0 0.0577 0 1 0 0.2749 _exptl_crystal_size_max 0.786 _exptl_crystal_size_mid 0.369 _exptl_crystal_size_min 0.115 loop_ _exptl_oxdiff_crystal_face_indexfrac_h _exptl_oxdiff_crystal_face_indexfrac_k _exptl_oxdiff_crystal_face_indexfrac_l _exptl_oxdiff_crystal_face_x _exptl_oxdiff_crystal_face_y _exptl_oxdiff_crystal_face_z 1.0000 0.0000 0.0000 0.0071 -0.1808 -0.1275 0.0000 0.0000 -1.0000 -0.0839 -0.0308 0.1123 -0.0000 -1.0000 -1.0000 0.0640 -0.0912 0.2064 0.0000 1.0000 1.0000 -0.0640 0.0912 -0.2064 -0.0000 -1.0000 1.0000 0.2319 -0.0297 -0.0183 0.0000 1.0000 -1.0000 -0.2319 0.0297 0.0183 -1.0000 -0.0000 -0.0000 -0.0071 0.1808 0.1275 0.0002 0.9995 -0.0003 -0.1479 0.0604 -0.0940 _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _diffrn_reflns_av_R_equivalents 0.0149 _diffrn_reflns_av_unetI/netI 0.0098 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.992 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_number 9811 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.979 _diffrn_reflns_theta_full 67.684 _diffrn_reflns_theta_max 72.634 _diffrn_reflns_theta_min 4.119 _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 140.00(10) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 10.2665 _diffrn_detector_type Atlas _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 0.992 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames -------------------------------------------------------------------------- 1 \w -4.00 21.00 1.00 1.00 -- 34.00 91.00-117.25 25 2 \w -116.00 -80.00 1.00 1.00 -- -43.01 -37.00 30.00 36 3 \w -53.00 -19.00 1.00 1.00 -- -43.01 -37.00 150.00 34 4 \w -75.00 -21.00 1.00 1.00 -- -43.01 -37.00 30.00 54 5 \w -86.00 -7.00 1.00 1.00 -- -43.01 125.00 0.00 79 6 \w 7.00 76.00 1.00 1.00 -- 43.01 -99.00-120.00 69 7 \w 12.00 38.00 1.00 1.00 -- 46.00 81.00 63.67 26 8 \w 13.00 41.00 1.00 1.00 -- 46.00 80.00 -82.56 28 9 \w 13.00 38.00 1.00 1.00 -- 46.00 79.00 151.04 25 10 \w 16.00 41.00 1.00 1.00 -- 50.00 81.00 -24.83 25 11 \w 16.00 42.00 1.00 1.00 -- 50.00 81.00 32.67 26 12 \w 23.00 54.00 1.00 1.00 -- 54.00 71.00-176.99 31 13 \w 27.00 65.00 1.00 1.00 -- 58.00 74.00 68.08 38 14 \w 29.00 74.00 1.00 1.00 -- 58.00 73.00-104.27 45 15 \w 81.00 133.00 1.00 1.00 -- 58.00 73.00-104.27 52 16 \w 90.00 115.00 1.00 1.00 -- 58.00 74.00 68.08 25 17 \w 32.00 60.00 1.00 1.00 -- 62.00 72.00-142.03 28 18 \w 36.00 67.00 1.00 1.00 -- 66.00 67.00 123.50 31 19 \w 79.00 138.00 1.00 1.00 -- 66.00 67.00 123.50 59 20 \w 94.00 135.00 1.00 1.00 -- 70.00 74.00 -33.07 41 21 \w 38.00 68.00 1.00 1.00 -- 70.00 74.00 -33.07 30 22 \w 44.00 81.00 1.00 4.00 -- 74.00 73.00 149.67 37 23 \w 106.00 143.00 1.00 4.00 -- 78.00 68.00 -72.56 37 24 \w 48.00 74.00 1.00 4.00 -- 78.00 68.00 -72.56 26 25 \w 52.00 90.00 1.00 4.00 -- 78.00 55.00-109.92 38 26 \w 52.00 93.00 1.00 4.00 -- 82.00 68.00 34.34 41 27 \w 58.00 85.00 1.00 4.00 -- 86.00 62.00 -52.06 27 28 \w 59.00 86.00 1.00 4.00 -- 90.00 70.00 -18.48 27 29 \w 66.00 99.00 1.00 4.00 -- 94.00 57.00 157.48 33 30 \w 125.00 157.00 1.00 4.00 -- 94.00 57.00 157.48 32 31 \w 105.00 160.00 1.00 4.00 -- 103.80 111.00-150.00 55 32 \w 108.00 178.00 1.00 4.00 -- 103.80 77.00 30.00 70 33 \w 21.00 90.00 1.00 4.00 -- 103.80 -94.00-180.00 69 34 \w 81.00 176.00 1.00 4.00 -- 103.80 45.00 -30.00 95 35 \w 148.00 176.00 1.00 4.00 -- 103.80 111.00 90.00 28 36 \w 22.00 103.00 1.00 4.00 -- 103.80 -94.00 30.00 81 37 \w 77.00 168.00 1.00 4.00 -- 103.80 61.00 -90.00 91 38 \w 75.00 136.00 1.00 4.00 -- 103.80 61.00 30.00 61 39 \w 76.00 143.00 1.00 4.00 -- 103.80 61.00 90.00 67 40 \w 75.00 148.00 1.00 4.00 -- 103.80 61.00-150.00 73 41 \w 37.00 106.00 1.00 4.00 -- 103.80-111.00 150.00 69 42 \w 75.00 172.00 1.00 4.00 -- 103.80 61.00 120.00 97 43 \w 76.00 107.00 1.00 4.00 -- 103.80-111.00 -30.00 31 44 \w 75.00 118.00 1.00 4.00 -- 103.80 61.00-120.00 43 45 \w 28.00 71.00 1.00 4.00 -- 103.80-111.00 -30.00 43 46 \w 133.00 176.00 1.00 4.00 -- 103.80 61.00-180.00 43 47 \w 75.00 110.00 1.00 4.00 -- 103.80 61.00-180.00 35 48 \w 76.00 101.00 1.00 4.00 -- 103.80 60.00-160.35 25 49 \w 78.00 119.00 1.00 4.00 -- 103.80 61.00 0.00 41 50 \w 135.00 161.00 1.00 4.00 -- 103.80 61.00 0.00 26 51 \w 77.00 102.00 1.00 4.00 -- 103.80 61.00 60.00 25 52 \w 30.00 97.00 1.00 4.00 -- 103.80 -94.00-120.00 67 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'SuperNova, Dual, Cu at home/near, Atlas' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 0.0071040000 _diffrn_orient_matrix_UB_12 -0.1479363000 _diffrn_orient_matrix_UB_13 0.0839145000 _diffrn_orient_matrix_UB_21 -0.1807660000 _diffrn_orient_matrix_UB_22 0.0604458000 _diffrn_orient_matrix_UB_23 0.0307567000 _diffrn_orient_matrix_UB_31 -0.1274865000 _diffrn_orient_matrix_UB_32 -0.0940563000 _diffrn_orient_matrix_UB_33 -0.1123241000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Cu K\a' _diffrn_radiation_wavelength 1.54184 _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_source_type 'SuperNova (Cu) X-ray Source' _reflns_Friedel_coverage 0.841 _reflns_Friedel_fraction_full 0.997 _reflns_Friedel_fraction_max 0.964 _reflns_number_gt 2521 _reflns_number_total 2532 _reflns_odcompleteness_completeness 100.00 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 66.97 _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _reflns_threshold_expression 'I > 2\s(I)' _computing_cell_refinement 'CrysAlisPro 1.171.40.71a (Rigaku OD, 2020)' _computing_data_collection 'CrysAlisPro 1.171.40.71a (Rigaku OD, 2020)' _computing_data_reduction 'CrysAlisPro 1.171.40.71a (Rigaku OD, 2020)' _computing_molecular_graphics 'Olex2 1.3-alpha (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.3-alpha (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'ShelXT 2018/2 (Sheldrick, 2015)' _refine_diff_density_max 0.208 _refine_diff_density_min -0.118 _refine_diff_density_rms 0.025 _refine_ls_abs_structure_details ; Flack x determined using 1144 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack 0.12(5) _refine_ls_extinction_coef 0.0137(14) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_extinction_method 'SHELXL-2018/3 (Sheldrick 2018)' _refine_ls_goodness_of_fit_ref 1.057 _refine_ls_hydrogen_treatment refall _refine_ls_matrix_type full _refine_ls_number_parameters 236 _refine_ls_number_reflns 2532 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0239 _refine_ls_R_factor_gt 0.0239 _refine_ls_restrained_S_all 1.056 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0366P)^2^+0.0783P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0623 _refine_ls_wR_factor_ref 0.0624 _refine_special_details ? _olex2_refinement_description ; ; _atom_sites_solution_hydrogens difmap _atom_sites_solution_primary dual _atom_sites_solution_secondary difmap loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group O1 O 0.61237(16) 0.50728(17) 0.57987(11) 0.0384(3) Uani 1 1 d . . . . . N1 N 0.2319(2) 0.28458(16) 0.53520(13) 0.0286(3) Uani 1 1 d . . . . . H1 H 0.288(3) 0.248(3) 0.4776(19) 0.033(5) Uiso 1 1 d . . . . . N2 N 0.16166(19) 0.68493(16) 0.67189(12) 0.0271(3) Uani 1 1 d . . . . . H2 H 0.069(3) 0.738(3) 0.618(2) 0.041(6) Uiso 1 1 d . . . . . C1 C 0.1658(2) 0.51258(18) 0.64241(13) 0.0235(3) Uani 1 1 d . . . . . H1A H 0.035(3) 0.468(2) 0.6163(16) 0.024(4) Uiso 1 1 d . . . . . C2 C 0.2923(2) 0.44061(17) 0.76599(13) 0.0235(3) Uani 1 1 d . . . . . C3 C 0.2532(2) 0.25958(19) 0.76197(15) 0.0280(3) Uani 1 1 d . . . . . H3A H 0.117(3) 0.244(2) 0.7552(18) 0.030(5) Uiso 1 1 d . . . . . H3B H 0.327(3) 0.204(3) 0.838(2) 0.036(5) Uiso 1 1 d . . . . . C4 C 0.3042(2) 0.1864(2) 0.65012(15) 0.0299(3) Uani 1 1 d . . . . . H4A H 0.446(3) 0.170(3) 0.6732(17) 0.030(5) Uiso 1 1 d . . . . . H4B H 0.246(3) 0.080(3) 0.6309(19) 0.038(5) Uiso 1 1 d . . . . . C5 C 0.2709(2) 0.46090(19) 0.55018(14) 0.0262(3) Uani 1 1 d . . . . . C6 C 0.4821(2) 0.48504(18) 0.62441(14) 0.0267(3) Uani 1 1 d . . . . . C7 C 0.5029(2) 0.47236(19) 0.76251(14) 0.0256(3) Uani 1 1 d . . . . . H7 H 0.583(3) 0.381(3) 0.7965(19) 0.031(5) Uiso 1 1 d . . . . . C8 C 0.2159(3) 0.5427(2) 0.42448(15) 0.0339(4) Uani 1 1 d . . . . . H8A H 0.077(3) 0.520(3) 0.382(2) 0.043(5) Uiso 1 1 d . . . . . H8B H 0.239(3) 0.669(3) 0.435(2) 0.045(6) Uiso 1 1 d . . . . . H8C H 0.291(3) 0.489(3) 0.370(2) 0.045(6) Uiso 1 1 d . . . . . C9 C 0.6083(2) 0.6197(2) 0.83181(17) 0.0344(4) Uani 1 1 d . . . . . H9A H 0.532(3) 0.717(3) 0.801(2) 0.040(6) Uiso 1 1 d . . . . . H9B H 0.629(3) 0.611(3) 0.923(2) 0.042(6) Uiso 1 1 d . . . . . H9C H 0.735(3) 0.622(3) 0.819(2) 0.046(6) Uiso 1 1 d . . . . . C10 C 0.2363(2) 0.54488(18) 0.85857(14) 0.0250(3) Uani 1 1 d . . . . . C11 C 0.1629(2) 0.6888(2) 0.79780(14) 0.0258(3) Uani 1 1 d . . . . . C12 C 0.1103(2) 0.8138(2) 0.86319(16) 0.0311(4) Uani 1 1 d . . . . . H12 H 0.061(3) 0.914(3) 0.8213(18) 0.029(5) Uiso 1 1 d . . . . . C13 C 0.1277(2) 0.7900(2) 0.98886(16) 0.0327(4) Uani 1 1 d . . . . . H13 H 0.089(3) 0.872(3) 1.0329(19) 0.036(5) Uiso 1 1 d . . . . . C14 C 0.1982(2) 0.6473(2) 1.04863(14) 0.0325(4) Uani 1 1 d . . . . . H14 H 0.209(3) 0.630(3) 1.1390(17) 0.031(5) Uiso 1 1 d . . . . . C15 C 0.2562(2) 0.5238(2) 0.98362(14) 0.0299(3) Uani 1 1 d . . . . . H15 H 0.307(3) 0.422(3) 1.0255(19) 0.031(5) Uiso 1 1 d . . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 O1 0.0300(6) 0.0474(8) 0.0400(6) 0.0054(6) 0.0139(5) -0.0042(5) N1 0.0290(7) 0.0290(7) 0.0276(6) -0.0060(5) 0.0081(5) -0.0010(5) N2 0.0300(7) 0.0239(6) 0.0242(7) 0.0005(5) 0.0029(5) 0.0040(5) C1 0.0227(7) 0.0232(7) 0.0226(7) -0.0016(6) 0.0035(5) -0.0005(6) C2 0.0249(7) 0.0209(7) 0.0231(7) 0.0002(6) 0.0045(5) -0.0017(5) C3 0.0324(8) 0.0216(7) 0.0302(8) 0.0007(6) 0.0093(6) -0.0029(6) C4 0.0318(8) 0.0232(7) 0.0340(8) -0.0027(6) 0.0089(6) -0.0021(7) C5 0.0251(7) 0.0275(8) 0.0245(7) -0.0002(6) 0.0051(6) -0.0005(6) C6 0.0266(7) 0.0235(7) 0.0292(8) 0.0021(6) 0.0070(6) -0.0014(6) C7 0.0233(7) 0.0244(7) 0.0268(7) 0.0011(6) 0.0035(6) 0.0000(6) C8 0.0350(8) 0.0409(10) 0.0237(7) 0.0021(7) 0.0054(6) 0.0028(7) C9 0.0284(8) 0.0324(9) 0.0380(9) -0.0049(7) 0.0031(7) -0.0070(7) C10 0.0245(7) 0.0233(7) 0.0256(7) -0.0025(6) 0.0052(5) -0.0038(5) C11 0.0230(7) 0.0270(7) 0.0251(7) -0.0026(6) 0.0033(6) -0.0020(6) C12 0.0284(8) 0.0283(8) 0.0320(8) -0.0050(6) 0.0015(7) 0.0024(6) C13 0.0274(8) 0.0363(9) 0.0324(8) -0.0126(7) 0.0057(6) -0.0017(7) C14 0.0337(8) 0.0379(9) 0.0252(7) -0.0052(7) 0.0075(6) -0.0085(7) C15 0.0337(8) 0.0288(8) 0.0255(7) 0.0003(6) 0.0062(6) -0.0054(7) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag O1 C6 1.2102(19) . ? N1 H1 0.91(2) . ? N1 C4 1.486(2) . ? N1 C5 1.492(2) . ? N2 H2 0.88(2) . ? N2 C1 1.472(2) . ? N2 C11 1.4119(19) . ? C1 H1A 0.981(19) . ? C1 C2 1.543(2) . ? C1 C5 1.520(2) . ? C2 C3 1.529(2) . ? C2 C7 1.568(2) . ? C2 C10 1.499(2) . ? C3 H3A 0.98(2) . ? C3 H3B 0.98(2) . ? C3 C4 1.536(2) . ? C4 H4A 0.996(19) . ? C4 H4B 0.98(2) . ? C5 C6 1.532(2) . ? C5 C8 1.511(2) . ? C6 C7 1.517(2) . ? C7 H7 0.96(2) . ? C7 C9 1.530(2) . ? C8 H8A 1.00(2) . ? C8 H8B 1.06(3) . ? C8 H8C 1.03(2) . ? C9 H9A 0.98(2) . ? C9 H9B 0.99(2) . ? C9 H9C 0.97(2) . ? C10 C11 1.402(2) . ? C10 C15 1.380(2) . ? C11 C12 1.389(2) . ? C12 H12 0.97(2) . ? C12 C13 1.394(2) . ? C13 H13 0.93(2) . ? C13 C14 1.384(3) . ? C14 H14 1.005(19) . ? C14 C15 1.395(2) . ? C15 H15 0.99(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 C4 N1 H1 108.3(13) . . ? C4 N1 C5 115.70(12) . . ? C5 N1 H1 107.4(14) . . ? C1 N2 H2 113.5(15) . . ? C11 N2 H2 116.6(14) . . ? C11 N2 C1 104.66(12) . . ? N2 C1 H1A 110.4(12) . . ? N2 C1 C2 102.77(11) . . ? N2 C1 C5 118.43(12) . . ? C2 C1 H1A 113.2(11) . . ? C5 C1 H1A 109.2(11) . . ? C5 C1 C2 102.52(11) . . ? C1 C2 C7 103.99(12) . . ? C3 C2 C1 107.34(12) . . ? C3 C2 C7 109.86(13) . . ? C10 C2 C1 100.82(12) . . ? C10 C2 C3 120.16(13) . . ? C10 C2 C7 112.83(12) . . ? C2 C3 H3A 107.8(12) . . ? C2 C3 H3B 112.7(13) . . ? C2 C3 C4 109.00(12) . . ? H3A C3 H3B 106.7(17) . . ? C4 C3 H3A 111.6(12) . . ? C4 C3 H3B 109.1(12) . . ? N1 C4 C3 112.60(13) . . ? N1 C4 H4A 112.0(11) . . ? N1 C4 H4B 106.5(12) . . ? C3 C4 H4A 108.7(11) . . ? C3 C4 H4B 110.2(12) . . ? H4A C4 H4B 106.6(17) . . ? N1 C5 C1 103.71(12) . . ? N1 C5 C6 108.49(13) . . ? N1 C5 C8 110.31(13) . . ? C1 C5 C6 102.63(12) . . ? C8 C5 C1 117.49(13) . . ? C8 C5 C6 113.39(13) . . ? O1 C6 C5 125.40(14) . . ? O1 C6 C7 125.37(14) . . ? C7 C6 C5 109.22(12) . . ? C2 C7 H7 109.9(12) . . ? C6 C7 C2 103.48(11) . . ? C6 C7 H7 109.1(12) . . ? C6 C7 C9 110.40(13) . . ? C9 C7 C2 118.04(13) . . ? C9 C7 H7 105.8(13) . . ? C5 C8 H8A 107.9(13) . . ? C5 C8 H8B 110.6(12) . . ? C5 C8 H8C 108.6(13) . . ? H8A C8 H8B 110.2(19) . . ? H8A C8 H8C 106.3(18) . . ? H8B C8 H8C 113.1(19) . . ? C7 C9 H9A 109.3(13) . . ? C7 C9 H9B 111.6(14) . . ? C7 C9 H9C 107.3(15) . . ? H9A C9 H9B 108.9(18) . . ? H9A C9 H9C 113(2) . . ? H9B C9 H9C 106.6(17) . . ? C11 C10 C2 107.31(12) . . ? C15 C10 C2 131.59(15) . . ? C15 C10 C11 120.98(14) . . ? C10 C11 N2 110.93(13) . . ? C12 C11 N2 128.69(16) . . ? C12 C11 C10 120.33(14) . . ? C11 C12 H12 120.3(11) . . ? C11 C12 C13 118.16(16) . . ? C13 C12 H12 121.5(11) . . ? C12 C13 H13 118.9(13) . . ? C14 C13 C12 121.55(15) . . ? C14 C13 H13 119.5(13) . . ? C13 C14 H14 121.5(13) . . ? C13 C14 C15 120.15(14) . . ? C15 C14 H14 118.3(13) . . ? C10 C15 C14 118.79(16) . . ? C10 C15 H15 120.5(12) . . ? C14 C15 H15 120.7(12) . . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A _geom_hbond_publ_flag N1 H1 O1 0.91(2) 2.28(2) 3.0207(19) 137.7(17) 2_646 yes N2 H2 N1 0.88(2) 2.39(2) 3.2233(19) 159(2) 2_556 yes loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag O1 C6 C7 C2 -178.93(16) . . . . ? O1 C6 C7 C9 53.8(2) . . . . ? N1 C5 C6 O1 94.88(19) . . . . ? N1 C5 C6 C7 -83.67(14) . . . . ? N2 C1 C2 C3 161.27(12) . . . . ? N2 C1 C2 C7 -82.33(13) . . . . ? N2 C1 C2 C10 34.72(14) . . . . ? N2 C1 C5 N1 -175.42(12) . . . . ? N2 C1 C5 C6 71.68(16) . . . . ? N2 C1 C5 C8 -53.44(19) . . . . ? N2 C11 C12 C13 -178.72(15) . . . . ? C1 N2 C11 C10 21.54(16) . . . . ? C1 N2 C11 C12 -161.22(16) . . . . ? C1 C2 C3 C4 59.69(16) . . . . ? C1 C2 C7 C6 -24.79(14) . . . . ? C1 C2 C7 C9 97.47(15) . . . . ? C1 C2 C10 C11 -22.65(15) . . . . ? C1 C2 C10 C15 161.46(16) . . . . ? C1 C5 C6 O1 -155.78(16) . . . . ? C1 C5 C6 C7 25.67(15) . . . . ? C2 C1 C5 N1 72.38(13) . . . . ? C2 C1 C5 C6 -40.52(14) . . . . ? C2 C1 C5 C8 -165.63(14) . . . . ? C2 C3 C4 N1 -44.38(17) . . . . ? C2 C10 C11 N2 1.63(17) . . . . ? C2 C10 C11 C12 -175.87(14) . . . . ? C2 C10 C15 C14 176.75(15) . . . . ? C3 C2 C7 C6 89.83(14) . . . . ? C3 C2 C7 C9 -147.91(14) . . . . ? C3 C2 C10 C11 -140.17(14) . . . . ? C3 C2 C10 C15 43.9(2) . . . . ? C4 N1 C5 C1 -61.39(16) . . . . ? C4 N1 C5 C6 47.20(17) . . . . ? C4 N1 C5 C8 171.96(13) . . . . ? C5 N1 C4 C3 47.36(17) . . . . ? C5 C1 C2 C3 -75.33(14) . . . . ? C5 C1 C2 C7 41.06(14) . . . . ? C5 C1 C2 C10 158.11(12) . . . . ? C5 C6 C7 C2 -0.38(15) . . . . ? C5 C6 C7 C9 -127.61(14) . . . . ? C7 C2 C3 C4 -52.77(16) . . . . ? C7 C2 C10 C11 87.69(15) . . . . ? C7 C2 C10 C15 -88.2(2) . . . . ? C8 C5 C6 O1 -28.0(2) . . . . ? C8 C5 C6 C7 153.42(13) . . . . ? C10 C2 C3 C4 173.83(13) . . . . ? C10 C2 C7 C6 -133.14(13) . . . . ? C10 C2 C7 C9 -10.88(19) . . . . ? C10 C11 C12 C13 -1.7(2) . . . . ? C11 N2 C1 C2 -34.84(14) . . . . ? C11 N2 C1 C5 -146.89(13) . . . . ? C11 C10 C15 C14 1.3(2) . . . . ? C11 C12 C13 C14 1.0(2) . . . . ? C12 C13 C14 C15 0.8(2) . . . . ? C13 C14 C15 C10 -2.0(2) . . . . ? C15 C10 C11 N2 178.05(14) . . . . ? C15 C10 C11 C12 0.6(2) . . . . ? _shelx_res_file ; TITL randres-6rat89-15.res in P2(1) randres-6rat89-15.res created by SHELXL-2018/3 at 15:06:25 on 10-Mar-2020 CELL 1.54184 7.284613 8.306444 11.230971 90 107.1156 90 ZERR 2 0.000175 0.000166 0.000262 0 0.0025 0 LATT -1 SYMM -X,0.5+Y,-Z SFAC C H N O UNIT 30 36 4 2 EQIV $1 1-X,-0.5+Y,1-Z EQIV $2 -X,0.5+Y,1-Z L.S. 30 PLAN 10 SIZE 0.786 0.369 0.115 TEMP -133.15 CONF HTAB N1 O1_$1 HTAB N2 N1_$2 BOND $H MORE -1 fmap 2 acta REM REM REM WGHT 0.036600 0.078300 EXTI 0.013724 FVAR 15.63534 O1 4 0.612374 0.507282 0.579866 11.00000 0.03004 0.04740 = 0.03999 0.00537 0.01393 -0.00421 N1 3 0.231925 0.284579 0.535199 11.00000 0.02899 0.02900 = 0.02763 -0.00595 0.00811 -0.00103 H1 2 0.287577 0.247806 0.477642 11.00000 0.03285 N2 3 0.161659 0.684928 0.671886 11.00000 0.03000 0.02391 = 0.02416 0.00048 0.00291 0.00399 H2 2 0.068507 0.738264 0.618456 11.00000 0.04068 C1 1 0.165850 0.512582 0.642415 11.00000 0.02271 0.02316 = 0.02256 -0.00162 0.00353 -0.00051 H1A 2 0.035132 0.468425 0.616276 11.00000 0.02403 C2 1 0.292280 0.440608 0.765992 11.00000 0.02493 0.02094 = 0.02306 0.00020 0.00447 -0.00171 C3 1 0.253214 0.259584 0.761973 11.00000 0.03238 0.02157 = 0.03023 0.00072 0.00927 -0.00288 H3A 2 0.117134 0.244238 0.755215 11.00000 0.02970 H3B 2 0.326695 0.204317 0.838187 11.00000 0.03572 C4 1 0.304179 0.186428 0.650115 11.00000 0.03178 0.02325 = 0.03403 -0.00270 0.00890 -0.00205 H4A 2 0.445861 0.170332 0.673228 11.00000 0.02951 H4B 2 0.245968 0.080071 0.630853 11.00000 0.03769 C5 1 0.270872 0.460895 0.550183 11.00000 0.02508 0.02751 = 0.02450 -0.00019 0.00509 -0.00051 C6 1 0.482088 0.485041 0.624407 11.00000 0.02659 0.02353 = 0.02925 0.00212 0.00696 -0.00142 C7 1 0.502866 0.472361 0.762511 11.00000 0.02325 0.02435 = 0.02684 0.00106 0.00353 0.00001 H7 2 0.582763 0.381293 0.796546 11.00000 0.03128 C8 1 0.215893 0.542744 0.424485 11.00000 0.03501 0.04086 = 0.02370 0.00207 0.00537 0.00276 H8A 2 0.076866 0.519709 0.382495 11.00000 0.04261 H8B 2 0.238913 0.668620 0.434810 11.00000 0.04516 H8C 2 0.291463 0.489479 0.370077 11.00000 0.04525 C9 1 0.608332 0.619705 0.831808 11.00000 0.02839 0.03238 = 0.03801 -0.00488 0.00310 -0.00699 H9A 2 0.532407 0.716729 0.800821 11.00000 0.04011 H9B 2 0.629272 0.611029 0.923171 11.00000 0.04170 H9C 2 0.734760 0.621865 0.819314 11.00000 0.04565 C10 1 0.236258 0.544882 0.858575 11.00000 0.02454 0.02329 = 0.02565 -0.00254 0.00523 -0.00376 C11 1 0.162892 0.688818 0.797798 11.00000 0.02303 0.02698 = 0.02509 -0.00255 0.00331 -0.00196 C12 1 0.110264 0.813841 0.863189 11.00000 0.02835 0.02830 = 0.03204 -0.00502 0.00154 0.00241 H12 2 0.060585 0.913750 0.821318 11.00000 0.02863 C13 1 0.127682 0.789985 0.988857 11.00000 0.02737 0.03629 = 0.03242 -0.01262 0.00572 -0.00171 H13 2 0.089292 0.871512 1.032869 11.00000 0.03612 C14 1 0.198155 0.647320 1.048630 11.00000 0.03369 0.03793 = 0.02524 -0.00515 0.00752 -0.00847 H14 2 0.209152 0.629688 1.138981 11.00000 0.03145 C15 1 0.256201 0.523756 0.983624 11.00000 0.03372 0.02883 = 0.02554 0.00026 0.00615 -0.00536 H15 2 0.306920 0.421945 1.025470 11.00000 0.03063 HKLF 4 REM randres-6rat89-15.res in P2(1) REM wR2 = 0.0624, GooF = S = 1.057, Restrained GooF = 1.056 for all data REM R1 = 0.0239 for 2521 Fo > 4sig(Fo) and 0.0239 for all 2532 data REM 236 parameters refined using 1 restraints END WGHT 0.0366 0.0783 REM Highest difference peak 0.208, deepest hole -0.118, 1-sigma level 0.025 Q1 1 0.2308 0.4730 0.7039 11.00000 0.05 0.21 Q2 1 0.2194 0.4962 0.5975 11.00000 0.05 0.18 Q3 1 0.2605 0.4817 0.8204 11.00000 0.05 0.17 Q4 1 0.5001 0.4788 0.7002 11.00000 0.05 0.15 Q5 1 0.3715 0.4868 0.5836 11.00000 0.05 0.13 Q6 1 0.2791 0.2310 0.7051 11.00000 0.05 0.12 Q7 1 0.0954 0.7332 0.8262 11.00000 0.05 0.12 Q8 1 0.2656 0.3563 0.7589 11.00000 0.05 0.12 Q9 1 0.3960 0.4611 0.7695 11.00000 0.05 0.12 Q10 1 0.1980 0.5146 0.9112 11.00000 0.05 0.11 ; _shelx_res_checksum 74326 _shelx_hkl_file ; 0 -10 0 2203.11 58.8137 35 0 -10 -1 7460.03 113.063 35 0 -10 1 7394.15 123.490 42 0 -10 -2 962.682 40.8799 35 0 -10 2 929.225 43.9513 42 0 -10 3 4213.01 84.2722 42 0 -9 0-6.78248 22.1231 42 0 -9 1 9211.19 185.923 36 0 -9 -1 9272.08 182.046 42 0 -9 1 9327.17 187.962 42 0 -9 2 4687.34 133.239 36 0 -9 -2 4504.68 118.047 42 0 -9 2 4758.71 133.491 42 0 -9 -3 8406.14 165.728 35 0 -9 3 8230.15 168.240 42 0 -9 -4 1353.85 64.3885 35 0 -9 4 1294.71 60.3265 30 0 -9 4 1275.94 63.8038 42 0 -9 -5 7630.19 134.815 35 0 -9 5 7214.45 133.788 30 0 -9 5 7189.92 129.402 42 0 -9 -5 7640.48 110.200 43 0 -9 -6 796.081 38.2384 35 0 -9 -6 728.235 30.8600 43 0 -8 0 15661.3 284.197 36 0 -8 0 14998.2 270.683 42 0 -8 -1 3308.48 126.768 42 0 -8 1 3380.76 131.697 42 0 -8 -2 17248.7 239.711 45 0 -8 2 17367.0 267.348 30 0 -8 2 17483.0 291.855 42 0 -8 -2 16735.5 269.453 42 0 -8 -3 3490.91 112.094 45 0 -8 3 3604.13 126.856 30 0 -8 -3 3411.13 111.736 42 0 -8 3 3561.44 131.045 42 0 -8 -4 349.417 39.4946 45 0 -8 -4 355.819 48.3670 35 0 -8 4 351.313 43.8017 30 0 -8 4 303.889 41.7804 42 0 -8 -5 3228.38 100.226 45 0 -8 5 3103.56 108.953 42 0 -8 5 3299.12 119.526 30 0 -8 -5 3279.65 111.861 35 0 -8 6 7321.75 145.084 42 0 -8 6 7695.68 170.477 30 0 -8 -6 7644.42 155.152 35 0 -8 -7 2790.04 75.3554 43 0 -8 7 2704.28 91.8195 30 0 -8 -7 2614.55 79.6929 35 0 -8 -8 397.486 25.3199 43 0 -7 0 18.9713 29.7226 42 0 -7 -1 1470.54 88.3406 36 0 -7 1 1463.26 91.3647 42 0 -7 -1 1353.27 85.0416 42 0 -7 -1 1391.01 73.8013 45 0 -7 2 23081.1 343.719 42 0 -7 -2 22671.5 321.957 42 0 -7 -2 23036.2 309.839 45 0 -7 3 9358.42 442.760 19 0 -7 -3 9801.24 207.840 45 0 -7 3 10054.1 226.877 42 0 -7 -3 10025.7 203.291 42 0 -7 4 4776.06 318.943 19 0 -7 4 4863.76 156.914 42 0 -7 -4 4808.57 148.208 45 0 -7 5 18389.1 599.853 19 0 -7 -5 18889.7 294.451 35 0 -7 5 18951.3 268.320 47 0 -7 -5 19597.9 243.393 52 0 -7 -5 18915.8 281.533 45 0 -7 5 18506.2 291.464 42 0 -7 -6 3194.50 114.219 35 0 -7 -6 3373.13 100.514 52 0 -7 -6 3353.66 114.330 45 0 -7 6 3340.64 114.538 47 0 -7 6 3282.85 113.480 42 0 -7 -7 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4938.20 175.968 37 -4 3 -4 5116.02 150.177 23 4 3 4 4557.00 250.104 13 -4 3 -5 299.694 42.2771 33 -4 3 -5 254.573 47.4900 41 -4 3 -5 279.215 56.0277 37 4 3 5 196.854 57.1585 18 -4 3 -6 11085.1 220.856 33 -4 3 -6 10923.2 248.659 41 -4 3 -7 5559.96 149.916 33 -4 3 -7 5528.03 161.905 41 -4 3 -8 541.913 45.6450 33 -4 3 -9 5392.64 105.765 33 -4 4 12 553.506 30.2156 37 4 4 -12 605.029 45.5165 50 -4 4 11 1817.88 63.3414 37 4 4 -11 1878.33 92.7558 50 -4 4 10 15264.2 201.285 24 4 4 -10 15434.1 263.472 38 -4 4 10 15109.2 201.275 37 4 4 -10 15297.7 277.691 50 -4 4 9 20927.9 239.678 44 -4 4 9 20925.8 251.785 24 4 4 -9 21647.3 336.916 38 4 4 -9 21755.1 339.921 34 4 4 -9 20580.1 319.310 32 4 4 -8 15150.4 283.901 38 -4 4 8 15546.5 220.048 24 4 4 -8 15572.7 286.724 34 -4 4 8 15831.4 218.559 44 4 4 -7 120.450 26.5212 51 4 4 -7 188.915 44.9493 49 -4 4 7 115.238 22.6914 44 -4 4 7 125.941 31.2912 24 4 4 -7 151.666 38.0406 26 4 4 -7 117.424 38.0564 38 4 4 -7 98.8940 29.2883 34 -4 4 7 103.970 29.9029 37 4 4 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209.404 15 4 4 -2 4141.73 255.462 13 4 4 -2 4041.94 304.856 2 4 4 -2 3836.35 244.341 7 -4 4 1 4813.62 128.111 37 4 4 -1 4420.97 134.306 26 -4 4 1 4912.11 246.254 15 4 4 -1 4798.41 277.256 13 4 4 -1 4716.87 264.699 7 -4 4 0 34211.4 710.036 15 4 4 0 33632.0 713.793 13 -4 4 0 32563.0 358.158 37 4 4 0 32026.4 345.815 26 -4 4 0 32741.2 308.221 34 4 4 0 31771.0 681.692 7 -4 4 -1 3336.52 250.945 15 4 4 1 2991.23 221.405 13 -4 4 -1 2863.73 116.660 37 -4 4 -1 3028.92 101.680 23 4 4 1 2976.60 105.140 26 -4 4 -1 3060.42 94.5756 34 4 4 1 3179.82 222.017 7 -4 4 -2 6205.33 152.398 23 4 4 2 6135.47 143.951 26 4 4 2 6031.15 310.046 13 4 4 2 5571.79 296.978 7 -4 4 -3 12574.0 270.979 37 4 4 3 10908.0 414.495 13 4 4 3 11490.4 416.833 7 -4 4 -3 12524.7 229.335 23 -4 4 -4 404.889 50.0375 23 -4 4 -4 406.396 61.1010 37 -4 4 -5 9593.16 244.974 37 -4 4 -5 9138.39 215.772 41 -4 4 -6 2574.32 101.981 33 -4 4 -6 2381.36 121.781 37 -4 4 -7 991.616 62.5724 33 -4 4 -8 3798.73 100.261 33 -4 5 11 2283.62 60.4976 37 4 5 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7460.84 185.948 49 -4 5 4 7913.51 244.201 21 4 5 -4 7805.39 193.140 26 4 5 -4 7489.13 453.346 2 4 5 -4 7449.84 191.788 38 -4 5 4 7639.90 162.791 37 -4 5 4 7884.28 307.420 15 4 5 -4 7943.94 360.316 13 -4 5 4 7493.95 142.361 27 4 5 -3 12486.6 227.237 49 -4 5 3 12119.4 289.071 21 4 5 -3 12513.0 244.763 26 -4 5 3 12516.0 211.526 37 -4 5 3 12541.1 180.977 27 -4 5 3 12386.4 393.498 15 4 5 -3 11719.8 458.397 13 4 5 -2 71860.5 579.414 26 4 5 -2 70333.2 1305.17 2 4 5 -2 70009.8 1074.35 7 -4 5 2 71611.7 519.816 37 -4 5 2 70147.3 423.387 27 -4 5 2 67927.0 958.753 15 4 5 -2 69133.9 1101.11 13 -4 5 1 12968.0 233.437 37 4 5 -1 12693.0 455.075 7 4 5 -1 12339.4 235.038 26 -4 5 1 12567.5 440.085 15 4 5 -1 12866.8 473.821 13 4 5 0 31806.4 367.723 26 4 5 0 33597.1 741.203 7 -4 5 0 33389.6 393.985 37 -4 5 0 32599.8 336.010 34 -4 5 0 32111.1 754.804 15 4 5 0 32993.7 751.556 13 -4 5 -1 6186.24 150.825 23 4 5 1 6030.71 158.738 26 4 5 1 6222.32 319.394 7 -4 5 -1 6028.98 178.113 37 -4 5 -1 6241.57 145.913 34 4 5 1 5896.00 324.010 13 -4 5 -2 11375.8 216.214 23 4 5 2 11268.6 206.660 26 4 5 2 11689.7 440.492 7 -4 5 -2 11025.7 249.833 37 -4 5 -2 11381.8 192.943 34 4 5 2 11425.5 443.020 13 -4 5 -3 4767.84 170.917 37 4 5 3 4421.57 266.692 13 -4 5 -3 4697.26 123.241 34 -4 5 -3 5102.34 151.647 23 -4 5 -4 13864.5 252.404 23 -4 5 -4 14267.0 292.025 37 -4 5 -5 16079.1 300.096 37 -4 5 -6 5452.86 137.448 33 -4 5 -7 15503.4 209.783 33 -4 5 -8 13120.7 155.695 33 -4 6 10 5031.62 89.2431 37 4 6 -10 5384.14 127.707 50 -4 6 9 3355.16 81.5037 27 -4 6 9 3481.44 86.0763 37 4 6 -9 3412.54 104.480 38 -4 6 8 957.812 49.8141 27 4 6 -8 1061.01 67.8926 38 -4 6 8 952.862 51.4866 37 4 6 -7 29713.4 354.078 38 -4 6 7 29144.4 291.191 37 4 6 -7 29808.4 376.037 49 4 6 -7 29067.0 340.013 26 -4 6 7 29270.3 272.753 27 4 6 -6 24422.5 333.534 38 -4 6 6 24002.6 277.190 37 4 6 -6 24641.9 344.950 49 -4 6 6 23817.5 254.779 27 -4 6 6 24103.5 451.871 21 4 6 -6 23494.7 315.205 26 -4 6 5 987.476 94.0534 21 4 6 -5 1182.04 75.8445 26 4 6 -5 1083.62 78.2704 49 -4 6 5 1090.63 65.0564 37 4 6 -5 1149.20 84.1795 38 -4 6 5 938.834 108.029 15 -4 6 5 1256.20 63.5648 27 -4 6 4 4431.15 190.118 21 4 6 -4 4422.40 145.866 26 4 6 -4 4364.54 143.685 49 -4 6 4 4510.77 130.595 37 4 6 -4 4325.55 151.520 38 -4 6 4 3837.92 226.705 15 -4 6 4 4501.95 114.863 27 4 6 -3 930.744 76.9934 26 4 6 -3 1031.45 70.6070 49 -4 6 3 943.375 63.6550 37 4 6 -3 595.338 114.150 13 -4 6 3 815.104 107.718 15 -4 6 3 1241.44 63.4501 27 -4 6 2 18573.1 280.249 37 4 6 -2 17366.2 262.780 49 -4 6 2 18769.1 540.386 15 4 6 -2 17974.4 580.101 13 4 6 -2 17713.1 293.764 26 -4 6 1 72878.7 579.171 37 -4 6 1 70801.0 1111.24 15 4 6 -1 73465.4 1176.14 13 -4 6 1 72147.6 525.039 34 4 6 -1 70164.5 574.357 26 -4 6 0 8183.66 203.012 37 4 6 0 8307.25 394.683 13 -4 6 0 8336.20 176.981 34 -4 6 0 8321.79 175.334 23 4 6 0 8293.00 194.812 26 -4 6 -1 8892.60 218.036 37 4 6 1 9204.08 413.215 13 -4 6 -1 8971.28 180.007 34 -4 6 -1 9021.17 187.990 23 4 6 1 8874.76 198.849 26 -4 6 -2 6958.63 194.615 37 4 6 2 7011.67 350.585 13 -4 6 -2 6983.51 154.218 34 -4 6 -2 7007.19 172.162 23 4 6 2 6855.95 166.836 26 -4 6 -3 12273.6 198.725 34 -4 6 -3 12523.8 258.882 37 -4 6 -3 12566.9 234.390 23 -4 6 -4 5925.43 131.331 34 -4 6 -4 6129.23 176.459 37 -4 6 -4 6330.92 164.309 23 -4 6 -5 1883.60 94.8397 37 -4 6 -6 5820.78 124.821 33 -4 6 -7 9760.48 136.753 33 -4 7 8 10216.7 132.738 27 4 7 -8 9791.69 162.097 38 -4 7 7 2953.42 78.9044 27 4 7 -7 3065.91 103.111 38 4 7 -6 9258.59 186.499 38 -4 7 6 9148.13 157.002 37 4 7 -6 8849.15 174.288 26 4 7 -6 9295.98 193.911 49 -4 7 6 9159.68 146.874 27 4 7 -5 5468.27 152.749 38 -4 7 5 5441.18 129.565 37 4 7 -5 5308.77 142.377 26 4 7 -5 5328.29 149.591 49 -4 7 5 5206.12 116.307 27 -4 7 4 3852.25 115.111 37 4 7 -4 3786.16 133.455 38 4 7 -4 3879.22 127.728 26 4 7 -4 3689.46 124.737 49 -4 7 3 12631.9 217.054 37 4 7 -3 12589.2 233.789 26 -4 7 3 12506.9 215.623 34 -4 7 2 20027.2 283.339 37 4 7 -2 19425.9 294.624 26 -4 7 2 20223.4 270.983 34 4 7 -2 19356.9 267.932 49 -4 7 1 5013.60 135.868 34 -4 7 1 4871.17 144.186 37 -4 7 1 4860.17 130.773 23 4 7 -1 4823.39 148.769 26 -4 7 0 18494.1 253.291 34 -4 7 0 18261.7 283.876 37 -4 7 0 18229.4 256.411 23 4 7 0 18230.1 286.796 26 -4 7 -1 12001.2 199.403 34 -4 7 -1 11873.9 230.603 37 -4 7 -1 12296.3 216.128 23 4 7 1 12030.6 225.737 26 -4 7 -2 3197.29 100.534 34 -4 7 -2 3087.11 117.901 37 -4 7 -2 3289.06 113.693 23 4 7 2 3059.51 106.407 26 -4 7 -3 194.859 27.8124 34 -4 7 -3 210.116 33.5606 37 -4 7 -3 213.504 31.6567 23 -4 7 -4 2572.63 77.4154 34 -4 7 -4 2622.54 96.0612 37 -4 7 -5 456.579 34.2610 33 4 8 -7 9630.95 134.983 38 -4 8 7 10496.0 137.117 34 4 8 -6 972.046 51.0607 38 4 8 -6 993.225 53.6532 49 -4 8 6 1094.86 50.4885 34 4 8 -5 2382.74 83.5116 38 -4 8 5 2446.77 79.7331 34 4 8 -5 2405.69 85.9474 49 4 8 -4 1962.16 81.6791 38 4 8 -4 2021.59 77.9139 26 -4 8 4 2012.13 75.5572 34 4 8 -4 1942.90 78.2115 49 4 8 -3 8545.26 170.364 38 -4 8 3 8596.64 151.178 23 4 8 -3 8617.59 164.614 26 -4 8 3 8687.40 156.547 34 4 8 -3 8598.86 160.229 49 4 8 -2 7610.05 161.381 38 -4 8 2 7531.08 145.324 23 4 8 -2 7850.62 164.263 26 4 8 -2 7477.77 145.829 49 -4 8 2 7641.81 147.744 34 -4 8 1 6631.34 136.799 34 -4 8 1 6543.89 138.700 23 4 8 -1 6659.35 155.122 26 -4 8 0 388.635 37.2409 34 4 8 0 412.244 40.4816 26 -4 8 -1 1988.62 72.5403 34 4 8 2 1576.17 52.1145 38 -4 8 -2 2058.27 70.1926 34 -4 8 -3 1853.97 59.2559 34 -4 8 -4 775.174 35.9860 33 4 9 -4 926.144 40.4407 38 -4 9 4 952.907 38.0784 34 4 9 -3 2035.27 62.7415 38 -4 9 3 2105.21 59.0072 34 4 9 -2 1187.64 50.0603 38 -4 9 2 1149.52 45.4176 34 4 9 -1 1020.19 45.8270 38 -4 9 1 1055.00 43.4004 34 -4 9 0 326.949 24.8134 34 5 -8 -6 2267.93 69.8393 45 5 -8 -5 57.9211 17.2862 45 -5 -8 5 30.9165 12.9794 36 5 -8 -4 163.015 24.8411 45 -5 -8 4 157.346 23.0841 36 5 -8 -3 194.787 26.2779 45 -5 -8 3 162.329 24.8052 36 5 -8 -2 2525.42 78.1218 45 -5 -8 2 2634.28 83.4732 36 5 -8 -1 4557.58 101.923 42 -5 -8 1 4860.11 109.906 36 5 -8 0 14230.6 179.750 42 -5 -8 0 14501.3 179.378 36 5 -8 1 6412.03 112.763 42 -5 -8 -1 6750.92 112.560 36 5 -7 -8 1501.97 63.3960 45 -5 -7 8 1476.88 56.7911 46 5 -7 -7 2200.37 92.7460 45 -5 -7 7 2106.04 76.3494 46 -5 -7 6 844.817 53.1010 46 5 -7 -6 851.200 66.7891 45 -5 -7 6 745.565 48.5818 36 -5 -7 5 939.221 57.5580 46 5 -7 -5 967.719 73.7860 45 -5 -7 5 935.179 59.7365 36 -5 -7 4 8523.55 168.751 46 -5 -7 4 8502.16 179.512 36 5 -7 -4 8647.34 212.517 45 5 -7 -3 1958.35 95.9788 39 -5 -7 3 1901.94 89.4595 36 -5 -7 3 1852.96 77.9866 46 5 -7 -2 4940.65 147.897 39 5 -7 -2 4837.63 137.756 42 -5 -7 2 4928.99 140.826 36 5 -7 -1 14115.7 240.982 39 -5 -7 1 14267.8 233.413 36 5 -7 -1 13952.7 235.995 42 -5 -7 0 3389.37 110.699 36 5 -7 0 3216.78 112.925 42 -5 -7 -1 487.058 44.3525 36 5 -7 1 475.211 46.1300 42 -5 -7 -2 8099.11 151.488 36 5 -7 2 8009.78 159.094 42 -5 -7 -3 2035.53 69.2660 36 5 -7 3 2025.37 71.9019 42 -5 -6 10 2009.46 61.5989 46 -5 -6 9 3933.88 104.141 46 5 -6 -9 3941.18 105.875 45 -5 -6 8 19746.5 255.275 46 5 -6 -8 19554.4 239.647 32 5 -6 -8 19652.6 295.387 45 -5 -6 7 5818.85 150.094 46 5 -6 -7 5751.16 135.490 32 5 -6 -7 6001.91 185.451 45 5 -6 -6 7119.69 217.192 45 -5 -6 6 6898.90 170.766 46 -5 -6 6 6927.97 161.369 36 5 -6 -6 6915.73 147.106 32 5 -6 -6 6909.70 185.198 39 5 -6 -5 10453.5 241.445 39 -5 -6 5 10090.6 211.064 46 -5 -6 5 10562.4 211.984 36 5 -6 -4 4522.15 161.922 39 -5 -6 4 4392.13 142.668 36 -5 -6 4 4222.59 139.769 46 5 -6 -3 2498.32 121.932 39 -5 -6 3 2497.73 108.060 46 -5 -6 3 2512.29 112.033 36 5 -6 -3 2417.39 108.911 42 5 -6 -2 18036.2 315.296 39 -5 -6 2 18101.2 279.010 46 -5 -6 2 18348.6 295.771 36 5 -6 -2 18544.6 310.793 42 5 -6 -1 10251.7 231.181 42 -5 -6 1 9909.66 200.381 46 5 -6 -1 10300.9 234.830 39 -5 -6 1 10288.1 220.617 36 5 -6 -1 9915.95 457.934 19 5 -6 0 10785.1 230.282 39 5 -6 0 11215.8 487.756 19 -5 -6 0 10895.1 221.576 36 5 -6 0 10736.0 234.489 42 5 -6 1 17092.9 288.421 42 5 -6 1 16912.2 256.052 29 5 -6 1 17008.1 270.242 39 -5 -6 -1 17256.4 267.395 36 5 -6 1 17343.7 600.666 19 5 -6 2 3418.44 108.772 39 -5 -6 -2 3272.86 114.392 36 5 -6 2 3038.54 119.176 42 5 -6 2 3436.67 116.563 29 -5 -6 -3 2695.66 98.0587 36 5 -6 3 2711.01 104.634 42 5 -6 3 2693.69 100.402 29 -5 -6 -4 7139.00 142.792 36 5 -6 4 7116.27 145.736 42 5 -6 4 7180.52 150.289 29 -5 -6 -5 2014.70 66.0643 36 5 -6 5 1756.51 58.3221 42 5 -5 -11 4207.61 95.5009 32 -5 -5 11 3859.18 83.4124 46 -5 -5 10 6712.77 123.511 40 -5 -5 10 6769.79 137.736 46 -5 -5 9 3205.87 96.5044 40 -5 -5 9 3229.33 108.892 46 5 -5 -9 3019.13 111.493 45 5 -5 -9 3361.56 116.901 32 -5 -5 8 1443.49 70.7478 40 -5 -5 8 1512.73 84.2783 46 5 -5 -8 1421.74 93.1984 45 5 -5 -8 1352.95 80.8999 32 5 -5 -7 15710.6 269.386 32 -5 -5 7 15529.0 232.596 40 5 -5 -7 14951.1 268.010 39 -5 -5 6 12153.5 241.751 46 -5 -5 6 11984.7 220.880 36 5 -5 -6 12401.8 236.451 32 5 -5 -6 11897.8 262.861 39 -5 -5 6 12211.3 208.716 40 -5 -5 5 3649.66 136.522 46 -5 -5 5 3717.04 129.188 36 5 -5 -5 3736.09 124.749 32 -5 -5 5 3677.91 114.746 40 5 -5 -5 3566.03 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29219.2 799.700 18 -5 0 -4 28961.2 454.874 31 5 0 5 11956.5 492.188 18 -5 0 -5 12183.2 267.500 41 5 0 6 4448.98 154.744 22 -5 0 -6 4470.23 157.913 41 -5 0 -7 802.393 64.8253 41 -5 0 -8 14260.7 205.728 41 -5 1 13 3473.62 66.4482 37 5 1 -13 3442.65 87.9162 52 -5 1 12 2268.48 74.7694 44 5 1 -12 2015.56 84.8005 32 5 1 -12 2134.31 89.8794 52 -5 1 11 2705.80 91.1238 44 5 1 -11 2795.84 116.443 50 5 1 -11 2703.69 123.144 32 -5 1 10 1614.54 77.8482 44 -5 1 10 1609.32 75.9144 25 -5 1 10 1582.24 72.7567 40 5 1 -10 1565.96 99.7590 38 5 1 -10 1644.49 97.9234 50 5 1 -10 1489.02 102.491 32 -5 1 9 19163.2 260.751 44 -5 1 9 19117.3 220.203 24 -5 1 9 19130.9 261.943 25 5 1 -9 19307.5 341.818 38 -5 1 9 19142.2 264.095 40 5 1 -9 18483.8 320.885 50 5 1 -9 19167.2 364.440 32 5 1 -8 12721.6 260.924 50 -5 1 8 12577.0 212.882 44 -5 1 8 12485.4 174.642 24 -5 1 8 11946.6 209.030 25 -5 1 8 12593.8 218.829 40 5 1 -8 12597.8 271.386 38 5 1 -8 12365.9 285.365 32 5 1 -7 52640.8 521.690 51 5 1 -7 54729.0 509.484 50 -5 1 7 53967.1 429.211 44 -5 1 7 53402.8 342.435 24 -5 1 7 51582.3 441.061 40 5 1 -7 53329.6 529.802 38 5 1 -7 53620.0 1005.94 16 5 1 -6 11418.8 230.602 51 5 1 -6 11930.3 222.597 50 -5 1 6 11337.4 195.428 44 5 1 -6 12214.9 243.484 38 -5 1 6 11365.8 205.469 40 -5 1 6 11271.5 178.990 37 -5 1 6 11693.1 344.871 15 5 1 -5 28148.2 342.689 51 -5 1 5 27796.9 294.283 44 5 1 -5 27989.3 815.736 4 5 1 -5 28698.7 350.958 38 -5 1 5 27706.4 314.809 40 -5 1 5 27501.5 265.535 37 5 1 -4 15799.5 245.803 51 -5 1 4 16133.7 221.070 44 -5 1 4 15742.2 234.351 40 5 1 -4 16560.6 250.927 38 -5 1 4 15855.9 195.420 37 -5 1 4 15861.1 391.809 15 -5 1 3 13445.0 354.619 15 5 1 -3 14308.1 226.391 51 -5 1 3 13688.7 203.989 44 5 1 -3 13788.9 216.992 38 -5 1 3 14279.2 225.022 40 5 1 -3 14386.4 221.160 26 -5 1 3 13783.1 180.628 37 5 1 -3 14670.8 529.860 4 -5 1 3 14855.2 332.921 5 -5 1 2 25405.0 325.265 46 5 1 -2 26073.4 687.920 4 -5 1 2 24046.5 244.263 37 -5 1 2 25793.8 313.717 40 5 1 -2 27359.6 606.413 13 -5 1 2 25572.5 504.760 15 5 1 -2 25708.4 279.497 26 5 1 -1 15469.1 202.927 26 -5 1 1 14979.5 203.434 37 -5 1 1 15485.9 218.791 31 5 1 -1 16366.3 469.463 13 -5 1 1 15535.1 421.011 15 5 1 -1 15945.0 530.217 4 5 1 0 79007.5 1179.88 4 5 1 0 74735.0 483.941 51 -5 1 0 74615.9 491.129 37 -5 1 0 78808.6 547.458 31 -5 1 0 78029.3 1029.14 15 5 1 0 78527.8 1026.02 13 -5 1 -1 2346.99 94.9327 37 -5 1 -1 2489.50 109.995 31 5 1 1 2348.47 178.874 13 5 1 1 2561.47 219.386 4 5 1 2 20805.7 612.779 4 5 1 2 19746.0 670.814 9 -5 1 -2 20530.5 293.841 37 -5 1 -2 20413.5 339.263 31 -5 1 -2 21421.2 314.422 36 5 1 2 21465.6 647.766 18 5 1 2 20397.7 522.080 13 -5 1 -3 22994.8 378.016 31 -5 1 -3 23271.1 330.482 37 5 1 3 22213.5 730.617 9 5 1 3 22974.8 691.347 18 -5 1 -4 5178.07 172.097 41 -5 1 -4 4950.17 181.234 31 5 1 4 4635.61 311.757 18 -5 1 -4 5191.69 160.608 37 5 1 5 40563.4 872.289 18 -5 1 -5 42850.2 491.843 41 5 1 6 6515.73 180.888 22 -5 1 -6 7031.38 193.162 41 -5 1 -7 5446.76 152.142 41 -5 1 -8 3255.62 95.3153 41 -5 2 12 2033.64 63.5000 37 -5 2 12 2001.01 65.7815 44 5 2 -12 2020.00 84.9106 52 -5 2 11 9473.29 160.134 44 5 2 -11 9554.38 204.979 50 -5 2 10 4511.79 121.630 44 -5 2 10 4433.90 105.739 24 5 2 -10 4502.52 157.143 38 5 2 -10 4756.87 157.749 50 5 2 -10 4425.12 166.280 32 -5 2 9 2725.15 99.8449 44 -5 2 9 2660.17 85.6202 24 5 2 -9 2753.04 129.374 38 5 2 -9 2688.40 124.036 50 5 2 -9 2674.42 136.122 32 5 2 -8 27230.7 387.277 38 -5 2 8 26715.1 270.423 24 5 2 -8 27755.2 373.480 51 5 2 -8 26614.7 377.927 50 -5 2 8 26420.8 308.501 44 -5 2 7 14777.6 228.926 44 -5 2 7 14766.9 193.687 24 5 2 -7 14609.1 276.736 38 5 2 -7 14643.3 265.423 51 5 2 -7 15044.1 672.716 2 5 2 -6 391.159 112.956 2 5 2 -6 361.698 45.6550 51 -5 2 6 442.785 43.7047 44 5 2 -6 475.489 54.4055 38 -5 2 6 402.338 40.3474 37 -5 2 6 284.766 64.5973 15 -5 2 5 19748.8 459.302 15 5 2 -5 18432.7 278.200 51 -5 2 5 19167.4 255.229 44 -5 2 5 19406.4 199.760 24 -5 2 5 18307.7 255.988 40 5 2 -5 19094.6 287.543 38 -5 2 5 18846.9 232.842 37 5 2 -5 19405.0 283.335 26 5 2 -4 24399.3 600.157 13 -5 2 4 24379.2 508.370 15 -5 2 4 23638.6 279.173 44 5 2 -4 23996.7 298.826 26 5 2 -4 23919.2 304.767 38 -5 2 4 23348.2 291.123 40 -5 2 4 23890.9 254.464 37 5 2 -4 24374.5 754.027 4 -5 2 3 9086.26 174.402 44 5 2 -3 9219.56 180.754 38 -5 2 3 8918.60 155.030 37 -5 2 3 8764.99 185.455 40 5 2 -3 9177.11 180.157 26 5 2 -3 9607.45 458.403 4 5 2 -3 9675.10 376.105 13 -5 2 3 8865.75 304.258 15 -5 2 2 13577.6 195.180 37 5 2 -2 13836.7 211.596 26 5 2 -2 13827.0 535.046 4 5 2 -2 13607.1 446.765 13 -5 2 2 13902.4 392.683 15 -5 2 1 38340.5 347.452 31 -5 2 1 37578.1 341.592 37 5 2 -1 37759.8 330.972 26 5 2 -1 38713.2 873.604 4 -5 2 1 37016.9 677.190 15 -5 2 0 53567.7 452.262 31 -5 2 0 53013.9 436.833 37 -5 2 0 55867.3 368.758 23 5 2 0 53628.3 1016.75 4 -5 2 0 53458.2 881.218 15 5 2 0 54230.7 886.023 13 -5 2 -1 4604.58 146.951 31 -5 2 -1 4526.72 138.608 37 -5 2 -1 4595.17 114.708 23 5 2 1 4419.95 292.334 4 -5 2 -1 4364.50 280.928 15 5 2 1 4435.79 253.349 13 -5 2 -2 22208.2 321.865 37 -5 2 -2 22713.8 272.127 23 -5 2 -2 21881.2 341.272 31 5 2 2 22155.7 564.238 13 -5 2 -3 6048.33 149.030 23 -5 2 -3 5849.71 174.262 37 5 2 3 5873.78 341.605 18 5 2 3 5680.23 367.901 9 -5 2 -4 20544.8 327.385 37 -5 2 -4 20599.0 270.669 33 -5 2 -4 20109.0 325.654 41 -5 2 -5 1736.98 96.9059 37 -5 2 -5 1737.82 79.9778 33 -5 2 -5 1708.65 100.327 41 -5 2 -6 1653.14 92.5545 41 -5 2 -6 1634.53 73.5514 33 -5 2 -7 21249.9 283.530 41 -5 2 -7 21484.3 229.837 33 -5 2 -8 4949.68 102.674 41 -5 3 12 94.6175 14.8878 44 -5 3 12 143.318 19.1928 37 5 3 -12 148.384 26.8924 50 5 3 -11 3237.35 114.186 50 -5 3 11 3179.86 84.7651 44 5 3 -11 3107.64 109.699 38 -5 3 11 3355.15 87.3702 37 5 3 -11 2973.40 104.027 32 5 3 -10 1068.21 76.1686 50 -5 3 10 1052.39 56.6680 44 -5 3 10 1074.95 51.7496 24 5 3 -10 1064.32 75.6353 38 -5 3 10 1061.92 58.5452 37 5 3 -10 1065.99 77.3942 32 5 3 -9 17717.2 300.602 50 -5 3 9 17641.4 240.084 44 -5 3 9 17230.2 214.667 24 5 3 -9 17725.5 304.998 38 -5 3 9 17632.3 232.224 37 5 3 -9 17427.2 319.632 32 5 3 -8 607.316 54.5824 51 -5 3 8 506.314 46.4091 44 -5 3 8 637.046 45.3361 24 5 3 -8 529.627 64.3981 38 -5 3 8 559.967 49.7838 37 -5 3 8 561.463 86.3492 15 5 3 -7 1936.00 95.6889 51 -5 3 7 2054.94 87.7604 44 -5 3 7 1928.15 74.2519 24 5 3 -7 2016.23 103.912 38 -5 3 7 2066.15 84.8140 37 -5 3 7 2024.17 161.339 15 5 3 -6 335.393 94.6612 2 5 3 -6 146.760 35.0973 51 -5 3 6 156.443 31.2717 44 -5 3 6 162.471 26.6371 24 5 3 -6 214.749 46.7369 26 5 3 -6 120.739 40.0997 38 -5 3 6 334.374 39.7635 37 -5 3 6 250.440 70.5199 15 5 3 -5 17032.7 695.863 2 -5 3 5 16317.0 188.438 27 -5 3 5 16239.2 240.748 44 5 3 -5 16213.8 260.525 26 5 3 -5 16258.8 270.595 38 -5 3 5 16393.1 226.260 37 5 3 -5 16235.9 498.866 13 -5 3 5 16848.5 447.072 15 -5 3 4 1997.36 64.0233 27 -5 3 4 2003.59 87.7236 44 5 3 -4 1943.16 94.1487 38 5 3 -4 2009.68 187.196 13 -5 3 4 2067.87 158.035 15 -5 3 4 1988.13 79.9398 37 5 3 -4 2020.88 93.9130 26 -5 3 3 9617.93 135.284 27 5 3 -3 9889.22 194.101 26 5 3 -3 9876.47 492.885 4 5 3 -3 9674.61 394.840 13 -5 3 3 10063.5 341.660 15 -5 3 3 9720.26 173.938 37 5 3 -3 9833.12 196.214 38 5 3 -2 2890.82 105.041 26 5 3 -2 3217.02 275.730 4 -5 3 2 2702.49 188.375 15 5 3 -2 2891.21 221.011 13 -5 3 2 2822.89 97.2183 37 5 3 -2 2921.12 103.509 38 5 3 -1 49479.9 407.882 26 5 3 -1 51476.2 1068.35 4 -5 3 1 49834.9 832.375 15 5 3 -1 48833.2 884.568 13 -5 3 1 49549.1 421.752 37 -5 3 0 42157.1 351.789 23 5 3 0 43215.1 368.696 26 5 3 0 44532.7 966.973 4 -5 3 0 41822.3 414.600 37 -5 3 0 40058.9 806.080 15 5 3 0 43243.4 831.226 13 -5 3 -1 19507.0 299.985 37 -5 3 -1 18609.7 246.646 23 -5 3 -1 19840.7 616.484 15 -5 3 -2 2330.15 110.521 37 -5 3 -2 2386.28 94.4871 23 -5 3 -3 2248.18 112.042 37 5 3 3 1992.92 171.174 13 -5 3 -3 2134.19 92.5711 23 -5 3 -4 18590.4 312.795 37 -5 3 -4 18411.6 256.965 33 -5 3 -4 17987.8 299.663 41 -5 3 -5 381.595 52.2283 37 -5 3 -5 430.047 41.4142 33 -5 3 -5 355.358 49.0621 41 -5 3 -6 2509.53 89.0619 33 -5 3 -6 2366.78 100.420 41 -5 3 -7 2732.59 87.8079 41 -5 3 -7 2984.99 82.1868 33 5 4 -12 6703.80 116.545 50 -5 4 12 6261.00 85.2591 37 5 4 -11 757.632 47.0698 38 -5 4 11 816.031 40.7142 37 5 4 -11 806.986 53.9118 50 5 4 -10 8046.76 181.544 50 -5 4 10 7491.53 125.609 44 -5 4 10 8111.28 128.762 24 5 4 -10 7828.04 177.164 38 -5 4 10 8011.86 136.949 37 -5 4 10 7619.10 123.551 27 5 4 -10 7601.24 171.875 32 -5 4 9 2192.16 77.1100 44 -5 4 9 2150.82 73.3361 24 5 4 -9 2403.99 108.312 38 -5 4 9 2244.97 82.0395 37 5 4 -9 2108.01 103.082 32 -5 4 9 2209.42 73.8824 27 5 4 -8 7124.30 166.139 51 -5 4 8 6872.69 145.759 44 -5 4 8 6891.31 135.637 24 5 4 -8 7036.33 185.564 38 -5 4 8 7219.05 150.307 37 -5 4 8 6974.27 134.958 27 -5 4 7 13732.8 417.155 15 5 4 -7 13345.5 237.559 51 -5 4 7 13720.4 214.042 44 5 4 -7 13702.3 259.382 38 -5 4 7 13941.1 211.818 37 -5 4 7 13096.3 185.959 27 -5 4 6 5661.68 120.184 27 -5 4 6 5659.92 142.326 44 5 4 -6 5680.98 161.297 26 5 4 -6 5567.54 166.917 38 -5 4 6 6004.48 142.104 37 -5 4 6 5735.48 272.428 15 5 4 -5 22768.7 587.975 13 -5 4 5 21828.1 523.500 15 5 4 -5 22244.0 304.248 49 5 4 -5 21785.1 306.898 26 -5 4 5 22023.2 229.040 27 5 4 -5 21655.3 317.473 38 -5 4 5 22047.6 269.590 37 5 4 -4 87.9765 80.9883 2 5 4 -4 150.816 42.2777 26 -5 4 4 141.841 23.8460 27 5 4 -4 142.281 37.9124 38 -5 4 4 153.774 32.1843 37 5 4 -4 112.505 60.1233 13 -5 4 4 202.285 59.4212 15 -5 4 3 1911.87 66.6618 27 5 4 -3 1933.40 94.3252 26 5 4 -3 2012.24 238.923 2 -5 4 3 1712.40 153.620 15 5 4 -3 1848.10 182.240 13 5 4 -3 1849.39 93.2709 38 -5 4 3 1812.68 82.2530 37 5 4 -2 10104.4 204.072 26 5 4 -2 9510.47 503.647 2 5 4 -2 9742.13 200.601 38 -5 4 2 9965.60 192.842 37 -5 4 2 9653.35 371.305 15 5 4 -2 9975.16 421.438 13 -5 4 1 77131.4 557.336 37 5 4 -1 76906.1 541.435 38 5 4 -1 77101.0 557.481 26 -5 4 1 76929.8 1110.98 15 5 4 -1 76349.4 1178.67 13 -5 4 0 18134.5 286.185 37 -5 4 0 17366.9 241.647 23 5 4 0 17648.3 258.368 26 -5 4 0 18112.0 570.717 15 5 4 0 18564.3 580.931 13 -5 4 -1 6944.04 185.511 37 -5 4 -1 6793.48 156.381 23 5 4 1 6871.34 353.696 13 -5 4 -2 1501.79 93.8575 37 -5 4 -2 1408.38 76.2263 23 5 4 2 1345.64 148.884 13 -5 4 -3 4892.62 163.326 37 -5 4 -3 4730.36 139.917 23 -5 4 -4 7383.29 194.734 37 -5 4 -4 7217.18 157.876 33 -5 4 -4 6975.17 178.439 41 -5 4 -5 1734.03 92.7012 37 -5 4 -5 1589.80 73.1643 33 -5 4 -5 1703.55 84.4966 41 -5 4 -6 6676.56 133.361 33 -5 4 -6 6298.55 136.200 41 -5 4 -7 1232.94 47.0060 33 5 5 -11 4211.21 97.2176 50 -5 5 11 3918.51 69.9252 37 -5 5 10 6785.78 111.660 37 5 5 -10 6699.98 139.537 38 -5 5 9 3056.68 85.4924 37 -5 5 9 3024.93 76.7844 27 5 5 -9 2998.87 105.282 32 5 5 -9 3250.36 111.774 38 -5 5 8 1404.85 65.1109 37 -5 5 8 1323.81 56.3866 27 5 5 -8 1463.34 82.6133 38 5 5 -7 15863.7 241.704 51 5 5 -7 16018.2 268.187 38 -5 5 7 15734.9 219.127 37 -5 5 7 15470.6 194.244 27 5 5 -6 12221.1 237.744 38 -5 5 6 12120.1 199.905 37 -5 5 6 11706.9 172.055 27 -5 5 6 12000.1 385.890 15 5 5 -6 12120.0 229.932 26 5 5 -5 3870.79 132.254 26 5 5 -5 3752.77 126.036 49 -5 5 5 3692.45 115.268 37 5 5 -5 3777.79 135.982 38 -5 5 5 3650.11 97.2800 27 -5 5 5 3501.55 212.377 15 5 5 -4 7098.99 183.502 38 -5 5 4 7206.72 163.241 37 5 5 -4 7331.35 179.834 26 -5 5 4 7091.17 134.710 27 5 5 -4 7423.64 355.103 13 -5 5 4 6794.20 305.474 15 5 5 -3 2621.01 110.275 26 -5 5 3 2684.15 198.334 15 5 5 -3 2804.01 227.304 13 5 5 -3 2577.92 111.038 38 -5 5 3 2563.51 102.279 37 5 5 -2 8605.61 194.222 26 -5 5 2 8689.59 373.553 15 5 5 -2 8923.55 407.472 13 5 5 -2 8416.12 194.970 38 -5 5 2 8817.35 190.665 37 -5 5 1 26783.1 296.144 23 5 5 -1 26997.7 342.232 26 -5 5 1 27338.8 287.754 34 -5 5 1 26650.4 686.379 15 5 5 -1 27856.2 729.048 13 -5 5 1 27384.9 348.195 37 5 5 -1 26542.0 329.936 38 -5 5 0 2170.05 89.2358 23 5 5 0 2208.40 96.5386 26 -5 5 0 2244.76 80.3062 34 5 5 0 1973.15 85.8015 38 -5 5 0 2205.95 106.217 37 -5 5 0 2317.43 216.449 15 5 5 0 2274.95 216.638 13 -5 5 -1 2095.74 106.855 37 5 5 1 2119.19 89.0283 26 5 5 1 2039.06 197.474 13 -5 5 -2 26602.6 364.403 37 -5 5 -2 25789.0 318.221 23 -5 5 -3 4315.59 147.527 37 -5 5 -3 4079.30 126.641 23 -5 5 -4 4026.25 111.805 33 -5 5 -4 4062.38 120.776 41 -5 5 -5 5738.56 148.284 37 -5 5 -5 5375.38 120.295 33 -5 5 -6 349.629 28.1044 33 5 6 -10 2050.04 65.1408 50 -5 6 9 3722.50 80.8858 37 5 6 -9 3825.05 101.646 38 5 6 -9 3967.79 107.638 50 -5 6 8 19095.9 206.562 37 -5 6 8 19659.3 187.843 27 5 6 -7 5882.91 150.854 38 -5 6 7 5740.99 124.527 37 5 6 -7 5775.18 128.859 51 -5 6 7 5629.31 109.014 27 -5 6 6 6854.20 126.212 27 5 6 -6 7164.59 171.435 38 -5 6 6 7098.69 146.770 37 5 6 -6 7130.98 167.219 26 -5 6 5 10319.1 185.238 37 5 6 -5 10381.7 210.495 38 5 6 -5 10516.9 204.683 26 5 6 -5 10223.9 194.817 49 -5 6 5 9660.69 154.850 27 5 6 -4 4387.79 139.266 38 -5 6 4 4430.83 127.445 37 5 6 -4 4607.07 138.738 26 -5 6 3 2565.69 101.765 37 5 6 -3 2552.49 107.507 38 5 6 -3 2469.05 102.455 26 -5 6 2 17767.8 237.373 34 -5 6 2 18208.6 274.770 37 5 6 -2 17495.4 271.370 38 5 6 -2 17594.1 270.743 26 -5 6 1 9918.86 172.051 34 5 6 -1 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1856.54 73.3937 34 5 7 -2 4854.76 130.674 38 -5 7 2 4737.50 129.722 37 -5 7 2 4831.47 116.981 23 5 7 -2 4905.84 128.978 26 -5 7 2 4759.79 114.741 34 -5 7 1 14013.8 224.036 37 5 7 -1 13797.0 209.410 38 -5 7 1 14420.5 205.415 23 5 7 -1 14312.4 218.149 26 -5 7 1 13713.2 185.942 34 -5 7 0 3237.32 109.086 37 5 7 0 3140.16 91.2425 38 -5 7 0 3381.09 101.137 23 5 7 0 3204.21 100.082 26 -5 7 0 3205.39 86.2447 34 -5 7 -1 449.350 31.8281 34 -5 7 -1 475.849 44.4697 37 -5 7 -2 7936.19 157.563 37 -5 7 -3 2030.74 72.9134 37 -5 8 6 2295.45 55.1901 34 5 8 -6 2268.92 63.0677 38 -5 8 5 35.8019 12.8861 34 5 8 -5 38.5522 15.1863 38 -5 8 4 166.088 20.4378 34 5 8 -4 153.748 23.0888 38 -5 8 3 180.698 21.6290 34 5 8 -3 198.794 25.6504 38 -5 8 2 2560.39 68.3221 34 5 8 -2 2558.76 76.2649 38 -5 8 1 4715.25 89.2816 34 5 8 -1 4758.03 96.1666 38 -5 8 0 13168.3 139.436 34 6 -7 -6 1975.64 72.9882 45 -6 -7 6 1890.93 60.2531 46 6 -7 -5 1477.72 70.1019 45 -6 -7 5 1493.73 57.0080 46 -6 -7 4 1473.29 57.2539 46 6 -7 -4 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312.221 39 -7 -3 6 21256.1 283.468 40 -7 -3 6 21072.0 265.123 31 -7 -3 6 21582.8 298.870 46 7 -3 -5 999.984 74.7949 39 -7 -3 5 1177.60 72.8135 40 -7 -3 5 1088.66 66.9390 31 -7 -3 5 1095.41 74.7554 46 7 -3 -4 5969.91 177.741 39 -7 -3 4 6064.68 168.237 46 -7 -3 4 6165.42 162.215 31 7 -3 -3 10689.0 235.634 39 -7 -3 3 10851.0 227.487 46 -7 -3 3 10491.8 218.009 31 7 -3 -3 10663.7 218.585 42 7 -3 -2 1520.96 92.4288 39 -7 -3 2 1527.26 88.5273 31 7 -3 -2 1525.09 87.5109 42 7 -3 -1 37230.4 416.867 39 -7 -3 1 36935.0 416.664 31 7 -3 -1 36394.9 411.020 42 7 -3 0 3060.24 115.406 39 -7 -3 0 3071.30 122.806 31 -7 -3 0 3152.32 99.3356 36 7 -3 0 3009.77 118.825 42 7 -3 1 11942.9 205.747 39 -7 -3 -1 12023.8 234.089 31 7 -3 1 11738.0 219.948 42 -7 -3 -1 11680.3 189.067 36 7 -3 2 4542.12 134.143 29 7 -3 2 4552.98 127.546 42 -7 -3 -2 4448.46 112.694 36 7 -3 3 161.076 26.1643 29 -7 -3 -3 142.367 23.1022 36 7 -3 3 140.985 24.7029 42 -7 -2 11 5279.57 94.6799 40 7 -2 -11 5267.90 105.054 32 -7 -2 10 908.767 49.4870 40 7 -2 -10 920.401 55.5182 32 -7 -2 9 1217.01 63.8746 40 7 -2 -9 1237.34 72.0518 32 -7 -2 9 1149.12 51.6268 31 -7 -2 8 2108.02 89.9422 40 7 -2 -8 2042.72 95.7345 32 -7 -2 8 1929.97 74.1871 31 -7 -2 8 1967.67 79.9804 46 7 -2 -7 13166.0 233.464 39 -7 -2 7 13541.6 231.693 40 7 -2 -7 14002.0 247.466 32 -7 -2 7 13064.4 205.936 31 -7 -2 7 13425.6 225.338 46 7 -2 -6 5319.31 162.677 39 -7 -2 6 5450.93 152.168 40 7 -2 -6 5539.99 152.440 32 -7 -2 6 5232.05 139.341 31 -7 -2 6 5340.17 152.561 46 7 -2 -5 10388.0 233.784 39 -7 -2 5 10458.5 215.455 40 -7 -2 5 10540.1 220.972 46 -7 -2 5 10238.5 203.085 31 7 -2 -4 8262.31 210.320 39 -7 -2 4 8002.37 197.436 46 -7 -2 4 8032.19 188.099 31 7 -2 -4 8131.91 186.743 42 7 -2 -3 7517.91 190.629 42 -7 -2 3 7947.47 201.944 46 7 -2 -3 8091.87 208.232 39 -7 -2 3 7783.43 191.353 31 7 -2 -3 7896.50 425.243 16 7 -2 -2 14268.6 270.165 39 -7 -2 2 14512.0 268.105 31 7 -2 -2 14034.6 263.246 42 7 -2 -1 18377.7 299.236 39 -7 -2 1 18577.8 306.571 31 7 -2 -1 18200.5 297.942 42 7 -2 0 6155.69 167.507 39 -7 -2 0 6181.17 178.212 31 7 -2 0 5946.05 170.723 42 7 -2 1 1544.96 79.8348 39 -7 -2 -1 1511.90 91.4912 31 7 -2 1 1531.80 86.9021 42 -7 -2 -1 1551.63 72.4951 36 -7 -2 -2 2588.57 111.141 31 7 -2 2 2486.15 102.161 42 -7 -2 -2 2475.41 87.0876 41 -7 -2 -2 2585.05 90.9073 36 7 -2 3 526.692 43.6625 42 -7 -2 -3 589.565 40.4686 41 7 -2 4 2958.44 79.1962 42 -7 -2 -4 2931.91 74.8215 41 7 -1 -11 1664.01 66.2264 32 -7 -1 11 1621.37 55.0280 40 7 -1 -10 1483.18 74.6132 32 -7 -1 10 1387.23 53.0444 31 -7 -1 10 1447.26 63.1480 40 -7 -1 10 1375.69 55.1854 44 7 -1 -9 5346.80 151.119 32 -7 -1 9 5424.48 132.701 40 -7 -1 9 5296.50 117.673 44 7 -1 -8 7066.53 183.010 32 -7 -1 8 7181.42 165.736 40 -7 -1 8 6819.02 144.451 44 -7 -1 7 61.7068 22.4676 46 -7 -1 7 52.6875 26.9703 31 -7 -1 7 54.3928 32.1015 40 7 -1 -7 25.5923 18.9148 39 -7 -1 6 1243.19 73.1477 46 7 -1 -6 1315.23 80.5499 32 -7 -1 6 1271.75 71.3893 31 7 -1 -6 1287.83 80.4650 39 -7 -1 6 1311.73 81.5927 40 -7 -1 5 17010.4 278.465 46 7 -1 -5 17023.6 268.769 32 -7 -1 5 16849.9 255.019 31 7 -1 -5 17345.3 298.239 39 -7 -1 5 17065.3 280.262 40 -7 -1 4 14281.5 266.622 46 -7 -1 4 14521.5 248.080 31 7 -1 -4 15041.5 582.545 16 7 -1 -4 14419.3 274.610 39 -7 -1 3 2627.17 113.060 31 7 -1 -3 2746.93 242.306 16 7 -1 -3 2756.86 122.411 39 -7 -1 2 5221.89 163.112 31 7 -1 -2 4975.63 320.126 16 7 -1 -2 4662.91 313.248 18 7 -1 -2 5012.43 160.169 39 -7 -1 1 2237.44 111.323 31 7 -1 -1 2069.46 214.718 18 7 -1 -1 2076.08 103.397 39 -7 -1 0 9154.55 188.447 41 7 -1 0 9182.94 202.573 39 -7 -1 0 9146.26 218.419 31 7 -1 0 9123.54 437.957 18 7 -1 1 6316.65 161.117 39 7 -1 1 6063.76 169.219 22 -7 -1 -1 6630.42 184.347 31 -7 -1 -1 6415.62 160.049 41 7 -1 2 1845.51 77.4267 39 7 -1 2 1925.13 93.5806 22 -7 -1 -2 1982.26 88.2541 41 7 -1 2 1946.28 92.2919 42 -7 -1 -2 1973.80 99.2975 31 7 -1 3 3105.96 104.579 42 -7 -1 -3 3201.91 104.973 41 7 -1 4 3955.09 95.4312 42 -7 -1 -4 4647.79 111.123 41 7 0 -11 8354.86 150.563 32 -7 0 10 3107.28 85.5461 44 7 0 -10 3227.49 110.078 32 -7 0 10 3176.74 89.4274 40 -7 0 9 49311.0 368.793 44 7 0 -9 49627.5 464.889 32 -7 0 9 48419.1 390.347 40 -7 0 8 2212.08 93.1374 40 7 0 -8 2306.88 108.442 32 7 0 -7 1146.95 68.6494 39 -7 0 7 1237.24 74.9742 40 7 0 -7 1117.11 78.0030 32 -7 0 6 74.8645 34.0063 40 7 0 -6 80.6556 27.5950 38 7 0 -6 94.9158 29.2055 39 7 0 -6 140.698 35.6705 32 7 0 -5 22032.4 325.729 39 -7 0 5 22695.7 326.171 40 7 0 -5 22357.9 688.116 16 7 0 -5 22299.1 317.945 32 -7 0 5 21855.9 283.712 31 7 0 -4 2881.65 122.365 39 -7 0 4 2993.77 112.597 31 7 0 -3 3546.42 134.888 39 7 0 -3 3510.21 259.787 18 -7 0 3 3479.05 126.694 31 7 0 -2 8557.38 203.296 39 7 0 -2 8374.63 408.481 18 -7 0 2 8636.99 203.807 31 7 0 -1 1484.72 86.2543 39 -7 0 1 1626.43 94.2024 31 7 0 -1 1467.68 177.625 18 7 0 0 479.180 51.7713 39 -7 0 0 506.592 58.3738 31 -7 0 0 498.560 50.2131 41 7 0 0 357.361 87.9130 18 7 0 1 5835.86 150.498 39 -7 0 -1 5921.83 171.631 31 -7 0 -1 5996.08 161.269 41 7 0 1 5710.91 336.963 18 -7 0 -2 27971.4 358.436 31 -7 0 -2 27927.6 335.798 41 -7 0 -3 1799.40 82.7236 41 7 0 3 1587.52 74.4046 42 7 0 4 447.848 33.0315 42 -7 0 -4 550.255 43.2980 41 -7 0 -5 7548.90 122.805 41 7 1 -11 1609.86 65.3957 32 7 1 -10 1455.13 74.3806 32 -7 1 10 1402.99 58.9988 44 -7 1 9 5078.29 97.4356 37 -7 1 9 5297.81 121.370 40 7 1 -9 5282.01 149.895 32 -7 1 9 5399.64 124.319 44 -7 1 8 6787.68 121.528 37 -7 1 8 7077.71 155.243 40 7 1 -8 7348.16 176.951 38 7 1 -8 7211.25 184.055 32 -7 1 8 6831.43 150.449 44 -7 1 7 79.2966 19.2449 37 7 1 -7 71.9096 32.4791 32 7 1 -7 71.4511 30.0863 38 7 1 -7 48.7584 19.5679 39 7 1 -6 1408.78 85.1039 32 -7 1 6 1343.98 59.0179 37 7 1 -6 1299.14 76.6683 39 -7 1 6 1329.36 79.0122 40 7 1 -6 1245.82 75.0455 38 7 1 -5 17434.3 293.076 51 -7 1 5 17215.9 246.875 31 7 1 -5 16505.0 272.293 39 7 1 -5 17183.9 257.457 38 7 1 -4 14366.2 262.870 51 -7 1 4 14022.0 233.091 31 7 1 -3 2590.60 110.474 51 -7 1 3 2674.32 108.655 31 -7 1 3 2490.79 199.106 15 7 1 -3 2646.44 222.377 18 7 1 -2 4950.82 143.390 51 -7 1 2 5104.30 154.498 31 -7 1 2 4649.08 282.415 15 7 1 -2 4991.43 320.455 18 7 1 -1 2080.54 88.9324 51 -7 1 1 2086.34 102.240 31 7 1 -1 1918.90 199.819 18 7 1 0 8868.93 188.668 39 7 1 0 8445.12 412.354 18 -7 1 0 9059.69 209.053 31 7 1 1 6244.11 151.521 39 -7 1 -1 6397.71 171.752 31 7 1 1 6319.89 348.411 18 -7 1 -1 6459.26 166.287 41 -7 1 -2 2077.90 94.4343 41 -7 1 -2 1981.24 92.6810 31 7 1 2 1836.88 74.3355 39 -7 1 -3 3383.51 111.926 41 -7 1 -4 4486.02 115.263 41 7 1 4 3593.44 85.2820 42 -7 1 -5 280.376 25.3699 41 7 2 -11 5133.57 104.311 32 7 2 -10 802.981 54.0293 32 -7 2 10 780.666 35.9246 37 7 2 -9 1204.64 71.3038 32 -7 2 9 1203.54 50.1670 37 7 2 -9 1226.64 69.2694 38 7 2 -8 2031.84 96.9733 32 -7 2 8 2009.84 70.4718 37 7 2 -8 2048.61 92.6752 38 7 2 -7 13527.0 247.536 32 -7 2 7 13269.5 187.032 37 7 2 -7 13552.3 238.355 38 7 2 -6 5487.37 161.069 51 -7 2 6 5297.19 122.908 37 7 2 -6 5155.42 140.750 39 7 2 -6 5466.56 151.838 38 7 2 -5 10514.5 220.717 51 -7 2 5 10348.6 187.969 31 -7 2 5 10066.7 173.375 37 7 2 -5 10407.4 203.025 38 7 2 -4 8180.51 190.276 51 -7 2 4 8109.75 174.031 31 -7 2 4 7944.37 159.382 37 7 2 -3 7730.34 182.027 51 7 2 -3 7229.09 368.076 18 -7 2 3 7752.76 177.101 31 -7 2 3 7870.51 163.406 37 7 2 -2 13932.9 235.759 51 7 2 -2 13291.9 505.676 18 -7 2 2 14102.0 243.872 31 -7 2 2 13889.8 220.918 37 7 2 -1 17868.7 248.200 51 -7 2 1 18348.2 256.096 37 7 2 -1 18640.6 601.629 18 -7 2 1 18309.8 278.637 31 -7 2 0 6157.48 147.866 37 -7 2 0 6170.61 159.955 31 7 2 0 6439.33 349.880 18 -7 2 -1 1474.46 70.7074 37 -7 2 -1 1553.67 78.0666 31 -7 2 -1 1537.16 81.5735 41 -7 2 -2 2515.42 86.1338 37 -7 2 -2 2636.08 102.584 41 -7 2 -3 576.147 47.9848 41 -7 2 -4 3371.68 94.6344 41 -7 3 10 236.241 20.5207 37 7 3 -10 234.539 27.7498 32 -7 3 9 3443.59 81.8611 37 7 3 -9 3581.69 105.704 38 7 3 -9 3394.83 107.675 32 -7 3 8 16.6291 17.8928 37 7 3 -8 1.82192 24.2008 32 7 3 -8 4.30978 23.1877 38 7 3 -7 1760.03 85.6084 51 -7 3 7 1711.25 69.4551 37 7 3 -7 1771.49 84.7312 38 -7 3 6 20956.5 242.144 31 -7 3 6 20781.4 245.944 37 7 3 -6 21065.2 285.822 38 7 3 -5 1041.29 71.9348 51 -7 3 5 1107.71 60.2642 31 -7 3 5 1025.20 60.7109 37 7 3 -5 1008.27 63.5239 38 7 3 -4 6076.13 160.399 51 -7 3 4 5963.35 139.859 31 -7 3 4 5891.44 141.726 37 7 3 -4 5746.08 138.590 38 7 3 -3 10491.6 205.265 51 7 3 -3 10135.3 425.286 18 -7 3 3 10752.7 191.931 31 -7 3 3 10394.5 194.237 37 7 3 -2 1531.51 79.6767 51 -7 3 2 1453.38 76.8106 37 -7 3 2 1576.77 75.0677 31 7 3 -1 36225.5 345.939 51 -7 3 1 36360.8 368.455 37 -7 3 0 2921.84 104.374 37 -7 3 -1 11624.5 198.577 37 -7 3 -2 4596.77 116.718 37 -7 3 -2 4794.58 127.634 41 -7 3 -3 142.236 25.4686 41 -7 3 -4 4633.75 96.4025 41 7 4 -9 1753.91 68.3667 32 -7 4 9 1755.52 54.4297 37 7 4 -9 1765.43 66.1513 38 7 4 -8 1184.49 63.4597 32 -7 4 8 1022.75 41.5243 31 -7 4 8 1120.82 49.6790 37 7 4 -8 1112.84 60.0128 38 7 4 -7 2319.53 87.4838 51 -7 4 7 2161.16 65.4956 31 -7 4 7 2254.86 75.7443 37 7 4 -7 2292.94 87.1616 38 7 4 -6 84.4912 25.7361 38 7 4 -6 90.5796 28.2505 51 -7 4 6 76.6676 24.7669 37 7 4 -5 3776.18 118.947 51 -7 4 5 3601.08 105.958 37 7 4 -5 3695.78 111.319 38 7 4 -4 313.322 42.5790 51 7 4 -4 288.823 32.3525 38 -7 4 4 298.051 38.5960 37 7 4 -3 3155.85 109.089 51 -7 4 3 2994.70 103.130 37 7 4 -2 19409.2 259.276 51 -7 4 2 19230.0 259.048 37 7 4 -1 29173.7 289.553 51 -7 4 1 30271.1 322.310 37 7 4 0 7909.70 132.903 51 -7 4 0 8694.66 170.012 37 -7 4 -1 1191.64 62.2788 37 -7 4 -2 2145.14 75.4395 37 -7 4 -2 2121.12 76.7681 41 -7 4 -3 8319.39 129.116 41 7 5 -8 62.9198 15.7644 38 7 5 -8 35.4640 14.2418 32 7 5 -7 3179.83 86.8116 51 -7 5 7 3139.52 80.3870 37 7 5 -7 3135.31 88.6390 38 7 5 -6 2079.50 77.4765 51 -7 5 6 2215.94 73.6045 37 7 5 -6 2080.96 75.2200 38 7 5 -5 887.136 53.6787 51 7 5 -5 851.246 49.0621 38 -7 5 5 923.202 52.2828 37 7 5 -4 3304.66 101.138 51 7 5 -4 3055.94 86.8400 38 -7 5 4 3161.69 95.4872 37 7 5 -3 988.646 56.9588 51 -7 5 3 1033.43 58.2432 37 7 5 -2 4258.18 111.001 51 -7 5 2 4450.75 116.141 37 7 5 -1 10207.1 154.415 51 -7 5 1 10566.4 175.121 37 -7 5 0 2278.04 80.1872 37 -7 5 -1 2483.17 76.9695 37 -7 5 -1 2361.84 72.6494 41 -7 5 -2 2093.98 62.4267 37 -7 6 6 1829.95 54.6674 37 7 6 -5 3096.05 78.5514 51 -7 6 5 2991.99 75.9756 37 7 6 -4 436.269 32.8604 51 -7 6 4 405.558 31.4704 37 7 6 -3 149.289 21.4160 51 -7 6 3 179.978 23.8059 37 7 6 -2 8944.21 130.386 51 -7 6 2 8900.50 138.887 37 -7 6 1 6692.57 117.079 37 -7 6 0 370.993 27.0078 37 8 -4 -5 4084.48 99.5995 39 8 -4 -4 5726.58 122.664 39 8 -4 -3 1835.11 69.8645 39 8 -4 -2 1592.82 61.8985 39 8 -4 -1 16789.8 171.628 42 8 -3 -6 117.060 21.2836 39 -8 -3 6 144.222 20.2316 31 8 -3 -5 81.2238 22.3596 39 -8 -3 5 77.1580 19.3478 31 8 -3 -4 3229.45 103.436 39 -8 -3 4 3063.48 94.5517 31 8 -3 -3 2217.51 85.7790 39 8 -3 -3 2072.92 72.2251 42 -8 -3 3 2100.94 80.9264 31 8 -3 -2 2412.69 86.2231 39 8 -3 -2 2401.35 81.2486 42 -8 -3 2 2475.81 87.9736 31 8 -3 -1 4260.59 106.020 39 8 -3 -1 4089.92 103.896 42 -8 -3 1 4381.02 114.496 31 8 -3 0 6801.95 114.657 39 8 -3 0 7276.54 129.450 42 8 -3 1 1255.72 48.1156 42 -8 -2 8 693.695 37.1885 31 8 -2 -7 14.5224 11.5195 39 -8 -2 7 18.7753 14.5367 31 8 -2 -6 1559.26 71.9859 39 -8 -2 6 1464.83 67.5169 31 8 -2 -5 1309.72 70.8994 39 -8 -2 5 1304.28 67.2832 31 8 -2 -4 2169.26 91.4162 39 -8 -2 4 2015.05 86.0202 31 8 -2 -3 3906.77 120.736 39 8 -2 -3 3824.63 109.162 42 -8 -2 3 3778.79 118.830 31 8 -2 -2 328.032 38.9338 39 8 -2 -2 337.754 36.0869 42 -8 -2 2 311.513 38.8530 31 8 -2 -1 190.614 30.5844 39 8 -2 -1 195.504 30.4128 42 -8 -2 1 217.328 34.2475 31 8 -2 0 4850.27 109.680 39 8 -2 0 4968.34 118.752 42 8 -2 1 1185.06 53.2481 42 8 -1 -9 9770.24 141.412 32 -8 -1 9 9950.70 130.569 31 8 -1 -8 4149.96 100.967 32 -8 -1 8 4178.90 98.1758 31 8 -1 -7 2839.32 86.1886 39 8 -1 -7 2670.42 82.9273 32 -8 -1 7 2800.74 89.2353 31 8 -1 -6 2975.81 101.770 39 -8 -1 6 2845.65 96.2560 31 8 -1 -5 4228.91 127.642 39 -8 -1 5 4225.47 121.279 31 8 -1 -4 5387.62 146.065 39 8 -1 -4 5148.01 124.968 42 -8 -1 4 5262.13 140.008 31 8 -1 -3 10229.1 197.512 39 8 -1 -3 9780.40 182.946 42 -8 -1 3 10258.1 197.985 31 8 -1 -2 3826.90 118.947 39 8 -1 -2 3663.50 113.784 42 -8 -1 2 3894.30 122.966 31 8 -1 -1 5367.23 133.082 39 8 -1 -1 5357.85 134.347 42 -8 -1 1 5630.10 146.839 31 8 -1 0 18.2035 14.6978 39 8 -1 0 39.9808 20.2092 42 -8 -1 0 27.0026 22.7610 31 8 -1 1 4124.89 103.768 42 -8 -1 -1 4576.92 118.903 31 8 -1 2 1766.66 58.2086 42 8 0 -9 3014.11 84.9068 32 -8 0 9 2830.88 73.5209 31 8 0 -8 23647.2 255.691 32 -8 0 8 24126.0 238.585 31 8 0 -7 8610.58 158.975 32 -8 0 7 8701.01 154.921 31 8 0 -6 8723.59 171.365 39 8 0 -6 8602.50 156.844 32 -8 0 6 8659.05 163.842 31 8 0 -5 30.6623 24.1798 39 -8 0 5 77.1027 28.2530 31 8 0 -4 34.7476 24.3588 39 -8 0 4 64.1976 27.8200 31 8 0 -3 451.893 46.1467 39 -8 0 3 401.087 47.3409 31 8 0 -2 9809.05 187.205 39 -8 0 2 9889.73 196.056 31 8 0 -1 1653.80 75.2389 39 -8 0 1 1610.23 65.5090 41 -8 0 1 1635.52 80.4836 31 8 0 0 16705.5 213.747 39 -8 0 0 17230.2 206.421 41 8 0 1 4195.53 90.7587 39 -8 0 -1 4786.28 103.505 41 8 0 1 4607.79 110.404 42 -8 0 -1 5185.37 123.842 31 8 0 2 512.443 32.7220 42 8 1 -9 10231.8 155.161 32 -8 1 9 10314.3 134.413 31 8 1 -8 4248.03 109.803 32 -8 1 8 4324.55 99.4709 31 8 1 -7 2717.20 91.6911 32 -8 1 7 2831.32 87.0132 31 8 1 -6 2954.88 97.0041 39 8 1 -6 2884.71 93.6564 32 -8 1 6 3017.74 95.7394 31 8 1 -5 4222.31 123.810 39 -8 1 5 4054.71 115.896 31 8 1 -4 5327.31 139.276 39 -8 1 4 5253.02 135.288 31 8 1 -3 10315.3 190.758 39 -8 1 3 10437.6 193.867 31 8 1 -2 3881.62 115.364 39 -8 1 2 3627.92 100.496 41 -8 1 2 3812.69 117.511 31 8 1 -1 5580.02 131.568 39 -8 1 1 5149.12 121.976 41 -8 1 1 5570.00 137.170 31 -8 1 0 19.7141 15.5278 41 8 1 0 25.3867 16.3894 39 -8 1 0 31.5801 17.4698 31 8 1 1 3684.77 82.3482 39 -8 1 -1 3993.60 98.5671 41 -8 1 -2 1903.88 60.3111 41 8 1 2 1597.32 53.3607 42 8 2 -9 3574.22 86.6973 32 -8 2 9 3477.54 71.9457 31 8 2 -8 695.967 44.5533 32 -8 2 8 752.926 39.6255 31 8 2 -7 21.2143 17.5601 32 -8 2 7 54.0399 18.1841 31 8 2 -6 1556.03 66.0970 39 8 2 -6 1497.05 67.2695 32 -8 2 6 1677.42 67.6585 31 8 2 -5 1322.04 66.6180 39 8 2 -5 1270.36 60.2807 32 -8 2 5 1388.30 65.1879 31 8 2 -4 2138.22 84.9332 39 -8 2 4 2064.25 79.9858 31 8 2 -3 4045.92 115.023 39 -8 2 3 3870.04 109.280 31 8 2 -2 309.993 36.5993 39 -8 2 2 320.010 34.2678 31 8 2 -1 242.252 30.5653 39 -8 2 1 212.701 28.9584 41 -8 2 1 254.255 28.1953 31 8 2 0 4711.03 103.726 39 -8 2 0 5227.24 117.919 41 -8 2 -1 1242.70 54.3222 41 8 3 -8 6358.72 115.290 32 -8 3 7 4556.08 89.0111 31 -8 3 7 4370.95 82.4407 37 -8 3 6 116.763 17.6998 37 8 3 -6 146.215 23.5513 32 -8 3 6 145.348 19.1776 31 8 3 -6 112.519 18.0931 39 -8 3 5 50.7957 14.4024 37 8 3 -5 63.4877 17.6943 32 -8 3 5 76.8466 16.9662 31 8 3 -5 67.5672 19.3533 39 8 3 -4 3132.09 97.7862 51 -8 3 4 2981.48 79.9927 37 8 3 -4 3214.97 95.0647 39 -8 3 3 2107.07 67.9399 37 8 3 -3 2182.58 79.3802 39 -8 3 2 2235.02 68.4545 37 8 3 -2 2393.85 81.0536 39 -8 3 1 4295.20 101.939 41 8 3 -1 4286.05 101.095 39 -8 3 0 7779.68 132.927 41 8 3 0 7003.57 113.036 39 -8 3 -1 1401.57 51.7002 41 8 4 -6 4337.70 91.9557 32 -8 4 6 4239.34 81.3977 37 8 4 -5 3890.08 86.9117 32 -8 4 5 3991.43 84.5071 37 8 4 -5 3949.58 85.9011 39 8 4 -4 6098.24 118.214 51 8 4 -4 5802.86 111.684 39 8 4 -3 1874.27 63.1810 51 -8 4 3 1758.19 58.5373 37 8 4 -3 1863.35 64.5442 39 -8 4 2 1477.18 52.1494 37 8 4 -2 1628.18 58.8815 39 8 4 -1 17591.2 173.315 39 -8 4 1 18375.4 184.314 41 9 0 -4 15.1610 10.4208 39 -9 0 4 18.2418 11.3392 31 0 0 0 0.00 0.00 0 TITL randres-6rat89-15 in P2(1) REM P2(1) (#4 in standard setting) CELL 1.54184 7.284613 8.306444 11.230971 90.0000 107.1156 90.0000 ZERR 2.00 0.000175 0.000166 0.000262 0.0000 0.0025 0.0000 LATT -1 SYMM -x, y+1/2,-z SFAC C H N O UNIT 30.00 36.00 4.00 2.00 TREF HKLF 4 END ; _shelx_hkl_checksum 48248 _olex2_date_sample_data_collection 2020-03-09 _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling - B-factor correction ; _oxdiff_exptl_absorpt_empirical_full_max 2.040 _oxdiff_exptl_absorpt_empirical_full_min 0.576