data_170615_cis_s_dpe _audit_creation_date 2017-06-15 _audit_creation_method ; Olex2 1.2 (compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337) ; _shelx_SHELXL_version_number '2016/6' _publ_contact_author_address ? _publ_contact_author_email ? _publ_contact_author_id_orcid ? _publ_contact_author_name '' _publ_contact_author_phone ? _publ_section_references ; Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H. (2009), J. Appl. Cryst. 42, 339-341. Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122. Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8. ; _chemical_name_common ? _chemical_name_systematic ? _chemical_formula_moiety 'C14 H14' _chemical_formula_sum 'C14 H14' _chemical_formula_weight 182.25 _chemical_melting_point ? _chemical_oxdiff_formula 'c10 h10' 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' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _space_group_crystal_system 'monoclinic' _space_group_IT_number 14 _space_group_name_H-M_alt 'P 1 21/n 1' _space_group_name_Hall '-P 2yn' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 7.7534(14) _cell_length_b 6.1617(10) _cell_length_c 11.6870(17) _cell_angle_alpha 90 _cell_angle_beta 100.352(15) _cell_angle_gamma 90 _cell_volume 549.25(15) _cell_formula_units_Z 2 _cell_measurement_reflns_used 455 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 29.1417 _cell_measurement_theta_min 3.4537 _shelx_estimated_absorpt_T_max 0.982 _shelx_estimated_absorpt_T_min 0.971 _exptl_absorpt_coefficient_mu 0.062 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.89407 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro, Agilent Technologies, Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET) (compiled May 16 2011,17:55:39) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_absorpt_special_details ? _exptl_crystal_colour colourless _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.102 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_description block _exptl_crystal_F_000 196 _exptl_crystal_size_max 0.48 _exptl_crystal_size_mid 0.38 _exptl_crystal_size_min 0.3 _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _diffrn_reflns_av_R_equivalents 0.0251 _diffrn_reflns_av_unetI/netI 0.0401 _diffrn_reflns_Laue_measured_fraction_full 0.997 _diffrn_reflns_Laue_measured_fraction_max 0.997 _diffrn_reflns_limit_h_max 6 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_k_max 6 _diffrn_reflns_limit_k_min -7 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_limit_l_min -12 _diffrn_reflns_number 2013 _diffrn_reflns_point_group_measured_fraction_full 0.997 _diffrn_reflns_point_group_measured_fraction_max 0.997 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 25.345 _diffrn_reflns_theta_min 3.461 _diffrn_ambient_temperature 293.15 _diffrn_detector_area_resol_mean 10.3592 _diffrn_measured_fraction_theta_full 0.997 _diffrn_measured_fraction_theta_max 0.997 _diffrn_measurement_details ; #__ type_ start__ end____ width___ exp.time_ 1 omega -59.00 33.00 1.0000 2.5000 omega____ theta____ kappa____ phi______ frames - 11.7808 -38.0000 90.0000 92 #__ type_ start__ end____ width___ exp.time_ 2 omega -64.00 17.00 1.0000 2.5000 omega____ theta____ kappa____ phi______ frames - 11.7808 0.0000 -30.0000 81 ; _diffrn_measurement_device_type 'Xcalibur, Atlas, Gemini ultra' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_UB_11 -0.0859345000 _diffrn_orient_matrix_UB_12 0.0433525000 _diffrn_orient_matrix_UB_13 -0.0141881000 _diffrn_orient_matrix_UB_21 -0.0318170000 _diffrn_orient_matrix_UB_22 -0.0847685000 _diffrn_orient_matrix_UB_23 0.0316227000 _diffrn_orient_matrix_UB_31 0.0160618000 _diffrn_orient_matrix_UB_32 0.0646389000 _diffrn_orient_matrix_UB_33 0.0510370000 _diffrn_radiation_monochromator graphite _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_source 'Enhance (Mo) X-ray Source' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 599 _reflns_number_total 1003 _reflns_odcompleteness_completeness 99.52 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 26.32 _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, Agilent Technologies, Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET) (compiled May 16 2011,17:55:39) ; _computing_data_collection ; CrysAlisPro, Agilent Technologies, Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET) (compiled May 16 2011,17:55:39) ; _computing_data_reduction ; CrysAlisPro, Agilent Technologies, Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET) (compiled May 16 2011,17:55:39) ; _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL (Sheldrick, 2015)' _computing_structure_solution 'ShelXS (Sheldrick, 2008)' _refine_diff_density_max 0.221 _refine_diff_density_min -0.286 _refine_diff_density_rms 0.070 _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.038 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 64 _refine_ls_number_reflns 1003 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1153 _refine_ls_R_factor_gt 0.0739 _refine_ls_restrained_S_all 1.038 _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^)+(0.1140P)^2^+0.0243P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1753 _refine_ls_wR_factor_ref 0.2212 _refine_special_details ? _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups 2.a Secondary CH2 refined with riding coordinates: C7(H7A,H7B) 2.b Aromatic/amide H refined with riding coordinates: C1(H1), C2(H2), C3(H3), C4(H4), C5(H5) ; _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary ? loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group C1 C 0.4047(3) 0.0252(4) 0.7586(2) 0.0690(8) Uani 1 1 d . . . . . H1 H 0.343516 -0.100485 0.769926 0.083 Uiso 1 1 calc R . . . . C2 C 0.4256(3) 0.0812(5) 0.6482(2) 0.0791(9) Uani 1 1 d . . . . . H2 H 0.377331 -0.005926 0.585592 0.095 Uiso 1 1 calc R . . . . C3 C 0.5159(4) 0.2624(5) 0.6296(2) 0.0840(9) Uani 1 1 d . . . . . H3 H 0.529024 0.299813 0.554546 0.101 Uiso 1 1 calc R . . . . C4 C 0.5870(4) 0.3891(5) 0.7212(3) 0.0857(9) Uani 1 1 d . . . . . H4 H 0.649845 0.512900 0.708848 0.103 Uiso 1 1 calc R . . . . C5 C 0.5662(3) 0.3346(4) 0.8321(2) 0.0757(8) Uani 1 1 d . . . . . H5 H 0.615953 0.422169 0.894113 0.091 Uiso 1 1 calc R . . . . C6 C 0.4732(3) 0.1525(4) 0.85309(18) 0.0624(8) Uani 1 1 d . . . . . C7 C 0.4446(3) 0.0929(5) 0.9738(2) 0.0811(9) Uani 1 1 d . . . . . H7A H 0.470016 0.218468 1.024065 0.097 Uiso 1 1 calc R . . . . H7B H 0.322147 0.055893 0.970243 0.097 Uiso 1 1 calc R . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1 0.0671(15) 0.0667(16) 0.0719(16) -0.0009(12) 0.0089(11) -0.0117(12) C2 0.0821(19) 0.090(2) 0.0622(17) -0.0084(13) 0.0061(13) 0.0017(15) C3 0.092(2) 0.089(2) 0.0760(18) 0.0162(16) 0.0276(15) 0.0117(16) C4 0.0790(19) 0.0721(18) 0.111(2) 0.0157(17) 0.0290(16) -0.0076(14) C5 0.0717(17) 0.0630(16) 0.0880(19) -0.0132(13) 0.0023(13) -0.0035(12) C6 0.0619(15) 0.0620(15) 0.0621(15) -0.0014(11) 0.0079(11) 0.0066(11) C7 0.0897(19) 0.0831(17) 0.0714(17) -0.0022(13) 0.0169(13) 0.0248(14) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag C1 H1 0.9300 . ? C1 C2 1.373(3) . ? C1 C6 1.380(3) . ? C2 H2 0.9300 . ? C2 C3 1.356(4) . ? C3 H3 0.9300 . ? C3 C4 1.359(4) . ? C4 H4 0.9300 . ? C4 C5 1.377(4) . ? C5 H5 0.9300 . ? C5 C6 1.380(4) . ? C6 C7 1.512(3) . ? C7 C7 1.495(5) 3_657 ? C7 H7A 0.9700 . ? C7 H7B 0.9700 . ? 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 C2 C1 H1 119.5 . . ? C2 C1 C6 121.0(2) . . ? C6 C1 H1 119.5 . . ? C1 C2 H2 119.7 . . ? C3 C2 C1 120.6(3) . . ? C3 C2 H2 119.7 . . ? C2 C3 H3 120.2 . . ? C2 C3 C4 119.7(3) . . ? C4 C3 H3 120.2 . . ? C3 C4 H4 119.9 . . ? C3 C4 C5 120.1(3) . . ? C5 C4 H4 119.9 . . ? C4 C5 H5 119.3 . . ? C4 C5 C6 121.3(2) . . ? C6 C5 H5 119.3 . . ? C1 C6 C7 120.6(2) . . ? C5 C6 C1 117.3(2) . . ? C5 C6 C7 122.2(2) . . ? C6 C7 H7A 108.9 . . ? C6 C7 H7B 108.9 . . ? C7 C7 C6 113.5(2) 3_657 . ? C7 C7 H7A 108.9 3_657 . ? C7 C7 H7B 108.9 3_657 . ? H7A C7 H7B 107.7 . . ? _shelx_res_file ; TITL 170615_cis_S_DPE in P21/n #14 170615_cis_s_dpe.res created by SHELXL-2016/6 at 15:12:11 on 15-Jun-2017 REM reset to P21/n #14 CELL 0.71073 7.75345 6.16167 11.68696 90 100.3522 90 ZERR 2 0.00137 0.00095 0.00169 0 0.0151 0 LATT 1 SYMM 0.5-X,0.5+Y,0.5-Z SFAC C H UNIT 28 28 L.S. 10 PLAN 20 SIZE 0.48 0.38 0.3 TEMP 20 BOND $h htab fmap 2 acta SHEL 999 0.83 REM REM REM WGHT 0.114000 0.024300 FVAR 15.34754 C1 1 0.404714 0.025199 0.758613 11.00000 0.06707 0.06671 = 0.07186 -0.00088 0.00889 -0.01172 AFIX 43 H1 2 0.343516 -0.100485 0.769926 11.00000 -1.20000 AFIX 0 C2 1 0.425566 0.081207 0.648185 11.00000 0.08211 0.09034 = 0.06218 -0.00836 0.00609 0.00172 AFIX 43 H2 2 0.377331 -0.005926 0.585592 11.00000 -1.20000 AFIX 0 C3 1 0.515857 0.262419 0.629591 11.00000 0.09155 0.08920 = 0.07604 0.01623 0.02759 0.01167 AFIX 43 H3 2 0.529024 0.299813 0.554546 11.00000 -1.20000 AFIX 0 C4 1 0.587012 0.389121 0.721156 11.00000 0.07897 0.07207 = 0.11059 0.01573 0.02902 -0.00762 AFIX 43 H4 2 0.649845 0.512900 0.708848 11.00000 -1.20000 AFIX 0 C5 1 0.566246 0.334564 0.832092 11.00000 0.07165 0.06295 = 0.08799 -0.01321 0.00234 -0.00348 AFIX 43 H5 2 0.615953 0.422169 0.894113 11.00000 -1.20000 AFIX 0 C6 1 0.473156 0.152506 0.853090 11.00000 0.06194 0.06201 = 0.06212 -0.00144 0.00787 0.00657 C7 1 0.444594 0.092909 0.973798 11.00000 0.08965 0.08313 = 0.07142 -0.00222 0.01686 0.02483 AFIX 23 H7A 2 0.470016 0.218468 1.024065 11.00000 -1.20000 H7B 2 0.322147 0.055893 0.970243 11.00000 -1.20000 AFIX 0 HKLF 4 REM 170615_cis_S_DPE in P21/n #14 REM R1 = 0.0739 for 599 Fo > 4sig(Fo) and 0.1153 for all 1003 data REM 64 parameters refined using 0 restraints END WGHT 0.1159 0.0096 REM No hydrogen bonds found for HTAB generation REM Highest difference peak 0.221, deepest hole -0.286, 1-sigma level 0.070 Q1 1 0.3330 0.1566 1.0269 11.00000 0.05 0.22 Q2 1 0.2268 -0.0032 0.8952 11.00000 0.05 0.17 Q3 1 0.2662 -0.2203 0.6199 11.00000 0.05 0.15 Q4 1 0.3060 -0.1136 0.9878 11.00000 0.05 0.14 Q5 1 0.7622 0.4614 0.6199 11.00000 0.05 0.13 Q6 1 0.2311 -0.1924 0.9616 11.00000 0.05 0.13 Q7 1 0.2514 -0.2429 0.9760 11.00000 0.05 0.13 Q8 1 0.2855 -0.1819 0.8515 11.00000 0.05 0.12 Q9 1 0.2535 -0.0742 1.0348 11.00000 0.05 0.12 Q10 1 0.3640 -0.3485 0.7077 11.00000 0.05 0.12 Q11 1 0.3165 -0.3238 0.7954 11.00000 0.05 0.12 Q12 1 0.1862 0.2181 0.9622 11.00000 0.05 0.12 Q13 1 0.8379 0.3866 0.8380 11.00000 0.05 0.11 Q14 1 0.5965 0.7208 0.8048 11.00000 0.05 0.11 Q15 1 0.1788 -0.0093 0.7754 11.00000 0.05 0.11 Q16 1 0.1992 0.1362 0.5946 11.00000 0.05 0.11 Q17 1 0.7445 0.6157 0.6386 11.00000 0.05 0.11 Q18 1 0.7238 0.6122 0.8622 11.00000 0.05 0.11 Q19 1 0.1650 0.0454 0.6625 11.00000 0.05 0.11 Q20 1 0.5966 0.7542 0.6903 11.00000 0.05 0.10 ; _shelx_res_checksum 6121 _shelx_hkl_file ; 2 0 0 999999. 5700.03 2 3 0 0-40.9699 66.1857 2 4 0 0 382.899 161.230 2 -5 0 0-39.7278 99.5098 2 5 0 0-5.79823 57.1186 2 -5 0 0 20.6837 114.959 1 -6 0 0 17215.3 1344.26 2 -7 0 0 37.5256 102.853 2 -8 0 0 1837.31 528.635 2 -9 0 0 340.299 369.607 2 -1 1 0 233988. 2042.34 1 1 1 0 239532. 2223.08 2 1 -1 0 233052. 2045.12 1 2 1 0 10957.5 608.574 2 2 -1 0 9706.98 547.670 1 -2 1 0 10259.1 555.674 1 -3 1 0 5874.33 517.820 1 -3 -1 0 5428.37 531.007 2 3 1 0 5710.70 540.069 2 -4 1 0 263.845 141.680 1 4 1 0 708.798 226.398 2 -4 -1 0 659.561 229.502 2 -5 -1 0 1021.02 284.701 2 5 1 0 893.563 293.451 2 -5 1 0 787.477 256.157 1 -6 -1 0 436.112 228.786 2 -6 1 0 157.163 103.120 2 -7 1 0 544.486 262.635 2 -7 -1 0 322.605 218.145 2 -8 -1 0 780.813 336.206 2 -8 1 0 244.030 138.386 2 -9 1 0-6.24470 122.155 2 -9 -1 0 542.637 322.343 2 0 -2 0 17759.3 689.569 1 -1 2 0 142959. 1906.87 1 1 -2 0 142251. 1938.99 1 2 2 0 19312.0 909.111 2 -2 2 0 19680.9 828.056 1 2 -2 0 19577.7 832.957 1 3 -2 0 277949. 3627.61 1 -3 2 0 281288. 3667.55 1 -3 -2 0 279942. 3972.61 2 3 2 0 280044. 3954.29 2 -4 -2 0 44895.0 1794.29 2 -4 2 0 46446.9 1768.17 1 4 2 0 46175.6 1814.74 2 -5 2 0 35324.0 1701.25 1 -5 2 0 49282.6 2214.45 2 5 2 0 35894.4 1817.93 2 -5 -2 0 45280.8 2020.52 2 -6 2 0 9777.94 1093.20 2 -6 -2 0 11264.9 1106.16 2 -7 2 0 676.631 293.540 2 -7 -2 0 327.919 184.645 2 -8 -2 0 533.723 292.691 2 -8 2 0-176.583 206.128 2 -9 -2 0-688.404 362.991 2 -9 2 0 163.670 289.085 2 0 -3 0 13.1281 51.1365 1 1 -3 0 26804.1 1007.69 1 -1 3 0 25675.4 987.937 1 2 3 0 14810.1 923.011 2 -2 3 0 15312.6 811.212 1 2 -3 0 15819.7 835.799 1 -3 3 0 3909.38 460.355 1 3 3 0 4087.17 530.051 2 3 -3 0 3867.22 452.514 1 -4 3 0 8908.64 782.672 1 4 -3 0 12553.4 905.954 1 -4 3 0 13417.2 1120.28 2 4 3 0 8096.98 817.639 2 -5 3 0 16118.6 1349.14 2 -5 3 0 12267.0 1006.46 1 -5 -3 0 16607.9 1282.01 2 -6 -3 0 1611.27 434.924 2 -6 3 0 1956.85 539.385 2 -7 -3 0 2777.29 613.389 2 -7 3 0 3125.69 700.381 2 -8 -3 0-549.271 314.088 2 -8 3 0 120.383 197.556 2 -9 -3 0-126.731 174.256 2 0 -4 0 17607.2 963.407 1 -1 -4 0 1931.17 343.666 1 1 -4 0 2190.48 335.541 1 2 4 0 5340.50 625.748 2 -2 4 0 5504.68 545.950 1 2 -4 0 6923.00 616.094 1 -3 4 0 2305.48 376.952 1 3 -4 0 3298.28 449.070 1 3 4 0 2243.04 426.346 2 4 -4 0 52.3662 101.579 1 -4 4 0 51.1838 70.2777 1 -5 4 0 126.618 99.9159 2 -5 4 0 102.265 113.654 1 -6 4 0 531.698 325.968 2 -7 4 0 1836.06 569.667 2 -8 4 0 535.956 336.739 2 0 -5 0-231.944 135.078 1 1 -5 0 585.374 187.749 1 -1 -5 0 849.336 264.373 1 2 5 0 6472.55 774.819 2 2 -5 0 6147.69 638.620 1 3 -5 0 1037.01 268.886 1 -3 5 0 483.306 187.105 1 4 -5 0 1435.84 332.946 1 -4 5 0 1559.94 346.450 1 -5 5 0 206.054 212.980 2 5 -5 0 184.191 80.1386 1 -6 5 0 764.770 355.739 2 -7 5 0 365.337 276.248 2 0 -6 0 130.883 120.647 1 1 -6 0 146.442 121.901 1 -1 -6 0 11.6001 117.877 1 -2 -6 0 10.3686 80.9400 1 2 -6 0 108.695 110.331 1 3 -6 0-63.6507 90.2101 1 4 -6 0 72.7687 114.559 1 -5 6 0 162.558 155.805 2 5 -6 0 320.416 185.879 1 -6 6 0 16.5514 251.935 2 0 -7 0 67.0438 92.7966 1 -1 -7 0-9.48789 76.9261 1 1 -7 0-144.511 134.002 1 -2 -7 0 42.2422 99.4859 1 -3 -7 0 581.882 286.061 1 -4 -7 0-387.247 241.059 1 -5 7 0 441.046 306.969 2 -9 0 1-31.1670 132.793 2 -8 0 1 21.7508 200.265 2 -7 0 1 990.785 361.464 2 -6 0 1 120.777 125.626 2 5 0 -1 79.1221 122.971 2 4 0 -1 67.3400 98.0693 2 3 0 -1 7942.07 629.176 2 2 0 -1 49.8351 74.4574 2 -1 0 -1 28460.7 769.106 1 -2 0 -1 70.8097 65.0904 1 2 0 1 1.78714 53.1955 2 3 0 1 286.069 115.632 2 -3 0 -1 249.448 133.925 1 4 0 1 9.14139 105.139 2 -4 0 -1 26.6639 69.5725 1 -4 0 -1 47.4269 77.4601 2 5 0 1 21.3957 60.8788 2 -5 0 -1-129.464 166.576 2 -5 0 -1-85.7377 179.467 1 -6 0 -1-71.2747 119.806 2 -7 0 -1 65.7323 132.134 2 -8 0 -1 337.219 234.891 2 -9 0 -1 1111.35 459.559 2 -9 -1 1 746.469 399.018 2 -9 1 1 409.430 275.674 2 -8 -1 1 1513.42 482.486 2 -8 1 1 1305.74 502.023 2 -7 -1 1 4930.42 789.582 2 -7 1 1 4248.94 749.126 2 -6 -1 1 1560.64 420.458 2 -6 1 1 1110.98 333.792 2 -6 1 1 1479.71 385.162 1 5 1 -1 7731.63 820.349 2 -5 -1 1 6017.26 740.475 2 5 -1 -1 6919.22 791.921 2 -5 1 1 5073.20 619.117 1 -4 1 1 146300. 2872.80 1 4 1 -1 146638. 3177.14 2 4 -1 -1 144505. 3164.93 2 3 -1 -1 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53.6849 1 -3 2 4 180.450 106.080 2 3 2 -4 181.353 113.071 2 2 2 -4 30250.9 1431.30 2 -2 2 4 31921.6 1085.55 2 -1 2 4 4139.20 285.085 2 0 2 -4 115538. 2574.64 1 0 -2 -4 113410. 1573.90 1 -1 -2 -4 4162.11 402.858 1 1 2 4 4138.56 229.093 2 -1 2 -4 4247.33 515.483 1 -2 -2 -4 35794.3 1435.74 1 -2 -2 -4 36318.8 1022.83 2 2 2 4 36498.2 1053.38 2 -2 2 -4 38280.5 1647.22 1 -3 -2 -4 26.8398 84.8541 1 -3 2 -4 136.657 149.645 1 3 -2 4 114.383 149.105 1 3 2 4 121.379 89.0669 2 -3 -2 -4-29.5943 82.4332 2 4 -2 4 98.6208 92.2837 1 -4 -2 -4 357.494 217.662 1 4 2 4 244.448 145.762 2 -4 -2 -4 570.272 210.701 2 -4 2 -4 351.132 206.962 2 -5 -2 -4 3900.68 593.272 2 5 -2 4 4435.14 696.501 1 -5 2 -4 4602.79 720.351 2 5 2 4 3281.39 537.695 2 -6 -2 -4 567.725 245.900 2 -6 2 -4 913.351 335.639 2 -7 -2 -4 2897.91 613.032 2 -7 2 -4 4344.85 844.496 2 -8 -2 -4-52.9526 140.588 2 -8 2 -4 71.1983 266.442 2 -9 -2 -4 762.654 380.395 2 -9 3 4 361.318 273.961 2 -8 3 4-395.617 272.283 2 -8 -3 4-102.074 178.178 2 -7 3 4 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402.659 260.410 2 -8 4 4-427.500 282.529 2 -7 4 4-10.7501 121.572 2 -6 4 4 917.495 347.100 2 -5 4 4 988.553 334.500 2 -5 4 4 755.559 175.567 1 -4 4 4 1767.38 399.656 2 -4 4 4 1035.60 150.200 1 -3 -4 4 3883.48 640.460 1 -2 -4 4 335.454 183.919 1 -2 4 4 239.237 101.601 2 -1 -4 4 387.820 199.949 1 0 -4 4 272.725 194.884 1 -1 4 -4 2505.32 483.396 1 1 4 4 2460.78 316.782 2 1 -4 4 3586.92 566.298 1 2 -4 4 215.943 131.603 1 2 4 4 257.724 121.694 2 3 -4 4 5930.27 816.882 1 3 4 4 4404.49 525.069 2 4 4 4 444.713 224.440 2 4 -4 4-411.945 235.350 1 5 -4 4 1831.83 521.166 1 6 -4 4 25.3969 156.062 1 -6 4 -4 86.2259 155.510 2 -7 4 -4-113.078 243.418 2 -8 5 4 498.456 294.624 2 -7 5 4-106.476 159.383 2 -6 5 4 253.322 209.593 2 -5 5 4 5214.88 818.218 2 -4 -5 4 199.362 155.545 1 -4 5 4 64.2874 131.372 2 -3 -5 4 4376.39 734.999 1 -3 5 4 4211.44 617.976 2 -2 -5 4 11.1586 107.562 1 1 -5 -4 542.139 85.8075 1 -1 -5 4 943.894 327.744 1 0 -5 -4 2721.37 317.713 1 0 -5 4 2797.03 555.666 1 1 5 4 5564.05 561.651 2 1 -5 4 8509.90 946.927 1 2 -5 4 4547.31 712.731 1 2 5 4 3508.27 474.263 2 3 5 4 2448.61 426.531 2 3 -5 4 2216.62 522.681 1 4 -5 4 497.078 226.450 1 5 -5 4 97.4660 149.528 1 6 -5 4 290.502 229.355 1 -6 5 -4-772.480 393.980 2 -7 6 4-99.8537 165.775 2 -6 6 4 343.295 243.057 2 -5 6 4-226.303 187.607 2 -5 -6 4-29.0670 110.948 1 -4 6 4 123.395 115.166 2 -4 -6 4 547.785 322.712 1 -3 6 4-120.415 125.221 2 -3 -6 4 403.112 237.511 1 -2 -6 4 479.168 261.575 1 -1 -6 4-160.361 236.334 1 0 -6 4 140.818 143.383 1 0 -6 -4 147.725 63.1056 1 -1 -6 -4-220.738 125.376 1 1 -6 4 72.4723 106.655 1 2 -6 4-99.2370 141.996 1 3 -6 4 106.420 148.741 1 4 -6 4-402.885 254.532 1 5 -6 4-217.642 200.449 1 6 -6 4-249.123 217.655 1 -5 7 4 665.429 374.226 2 -4 -7 4 459.071 289.880 1 -4 7 4-526.854 281.133 2 -3 -7 4 675.041 338.824 1 -3 7 4 960.339 320.653 2 -2 -7 4 1694.23 501.960 1 -1 -7 4 92.3449 252.774 1 0 -7 4 962.290 347.370 1 1 -7 4 439.139 262.357 1 2 -7 4 595.287 303.476 1 3 -7 4 368.045 254.110 1 4 -7 4-274.431 220.457 1 -2 -8 4 484.722 301.277 1 -1 -8 4-651.264 332.375 1 0 -8 4 86.9138 139.399 1 -9 0 5 614.243 323.762 2 -8 0 5-16.7409 227.641 2 -7 0 5 59.1576 146.283 2 -6 0 5-216.892 196.465 2 -5 0 5 1215.48 352.953 2 5 0 -5 980.563 297.475 2 4 0 -5-16.1762 102.730 2 -3 0 5 26465.8 1232.73 2 3 0 -5 26259.1 1235.46 2 -2 0 5 35.4077 66.8041 1 2 0 -5-28.1607 67.6072 2 1 0 -5 89238.3 1878.01 1 -1 0 5 89150.7 1925.31 1 1 0 -5 90498.8 1751.75 2 0 0 5 38.8674 61.0430 1 0 0 -5-3.53185 61.0805 1 -1 0 -5 17338.4 961.775 1 -2 0 -5 6.27489 66.0516 1 -3 0 -5 592.292 210.873 2 -3 0 -5 755.521 247.041 1 -4 0 -5 147.556 167.565 2 -5 0 -5 120.097 84.8107 2 -6 0 -5-98.7812 223.437 2 -7 0 -5-402.832 255.568 2 -8 0 -5-347.283 254.993 2 -9 0 -5-531.315 335.412 2 -9 1 5 80.4036 156.041 2 -9 -1 5 260.105 252.676 2 -8 -1 5 1832.47 561.313 2 -8 1 5 2056.42 579.703 2 -7 1 5-85.6553 164.598 2 -7 -1 5 51.0931 185.769 2 -6 -1 5 7044.52 892.848 2 -6 1 5 7981.22 930.138 2 -5 -1 5 3629.58 611.399 2 -5 1 5 3972.39 589.847 2 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