#------------------------------------------------------------------------------ #$Date: 2024-12-06 22:04:32 +0200 (Fri, 06 Dec 2024) $ #$Revision: 296616 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/57/27/1572722.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1572722 loop_ _publ_author_name 'Yan, Xiaosheng' 'Weng, Peimin' 'Cao, Jinlian' 'Lin, Kexin' 'Qi, Yuanwei' 'Wu, Xin' 'Jiang, Yun-Bao' _publ_section_title ; Simultaneous formation of helical and sheet-like assemblies from short azapeptides enables spontaneous resolution. ; _journal_issue 41 _journal_name_full Nanoscale _journal_page_first 19221 _journal_page_last 19227 _journal_paper_doi 10.1039/d4nr02872d _journal_volume 16 _journal_year 2024 _chemical_absolute_configuration rmad _chemical_formula_moiety 'C17 H18 N4 O2 S' _chemical_formula_sum 'C17 H18 N4 O2 S' _chemical_formula_weight 342.41 _space_group_crystal_system orthorhombic _space_group_IT_number 19 _space_group_name_Hall 'P 2ac 2ab' _space_group_name_H-M_alt 'P 21 21 21' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _audit_block_doi 10.5517/ccdc.csd.cc2527s9 _audit_creation_date 2020-04-17 _audit_creation_method ; Olex2 1.2 (compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381) ; _audit_update_record ; 2020-04-21 deposited with the CCDC. 2024-09-30 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 4.70400(10) _cell_length_b 15.8512(3) _cell_length_c 22.2569(4) _cell_measurement_reflns_used 3794 _cell_measurement_temperature 99.9(7) _cell_measurement_theta_max 76.5910 _cell_measurement_theta_min 3.4110 _cell_volume 1659.56(6) _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 'ShelXT (Sheldrick, 2015)' _diffrn_ambient_temperature 99.9(7) _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.946 _diffrn_measurement_device_type 'XtaLAB Synergy, Dualflex, HyPix' _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54184 _diffrn_reflns_av_R_equivalents 0.0476 _diffrn_reflns_av_unetI/netI 0.0559 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.946 _diffrn_reflns_limit_h_max 5 _diffrn_reflns_limit_h_min -4 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_l_max 26 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_number 6078 _diffrn_reflns_point_group_measured_fraction_full 0.951 _diffrn_reflns_point_group_measured_fraction_max 0.880 _diffrn_reflns_theta_full 67.684 _diffrn_reflns_theta_max 76.897 _diffrn_reflns_theta_min 3.423 _exptl_absorpt_coefficient_mu 1.882 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.66950 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 1.370 _exptl_crystal_description block _exptl_crystal_F_000 720 _exptl_crystal_size_max 0.28 _exptl_crystal_size_mid 0.22 _exptl_crystal_size_min 0.18 _refine_diff_density_max 0.710 _refine_diff_density_min -0.384 _refine_diff_density_rms 0.088 _refine_ls_abs_structure_details ; Flack x determined using 975 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack 0.025(16) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.133 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 218 _refine_ls_number_reflns 3069 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.133 _refine_ls_R_factor_all 0.0536 _refine_ls_R_factor_gt 0.0462 _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^)+(0.0580P)^2^+1.6430P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1142 _refine_ls_wR_factor_ref 0.1388 _reflns_Friedel_coverage 0.574 _reflns_Friedel_fraction_full 0.879 _reflns_Friedel_fraction_max 0.784 _reflns_number_gt 2828 _reflns_number_total 3069 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d4nr02872d2.cif _cod_data_source_block exp_8443 _cod_depositor_comments 'Adding full bibliography for 1572720--1572724.cif.' _cod_database_code 1572722 _shelx_shelxl_version_number 2014/8 _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. ; _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All N(H) groups At 1.5 times of: All C(H,H,H) groups 2.a Ternary CH refined with riding coordinates: C00B(H00B) 2.b Aromatic/amide H refined with riding coordinates: N004(H004), N005(H005), N006(H006), N007(H007), C00D(H00E), C00G(H00G), C00H(H00H), C00I(H00I), C00J(H00J), C00K(H00K), C00L(H00L), C00M(H00M), C00N(H00N), C00O(H00O) 2.c Idealised Me refined as rotating group: C00C(H00A,H00C,H00D) ; _shelx_res_file ; exp_8443.res created by SHELXL-2014/8 TITL exp_8443_a.res in P2(1)2(1)2(1) REM Old TITL exp_8443 in P212121 #19 REM SHELXT solution in P2(1)2(1)2(1) REM R1 0.157, Rweak 0.025, Alpha 0.002, Orientation as input REM Flack x = 0.063 ( 0.017 ) from Parsons' quotients REM Formula found by SHELXT: C17 N4 O2 S CELL 1.54184 4.704 15.8512 22.2569 90 90 90 ZERR 4 0.0001 0.0003 0.0004 0 0 0 LATT -1 SYMM 0.5-X,-Y,0.5+Z SYMM -X,0.5+Y,0.5-Z SYMM 0.5+X,0.5-Y,-Z SFAC C H N O S UNIT 68 72 16 8 4 L.S. 10 PLAN 20 BOND $H list 4 fmap 2 ACTA REM REM REM WGHT 0.058000 1.643000 FVAR 0.66485 S001 5 0.554091 0.272566 0.653387 11.00000 0.02250 0.02029 = 0.02250 0.00049 -0.00007 0.00439 O002 4 0.473723 0.507183 0.735529 11.00000 0.01240 0.02541 = 0.02163 0.00190 0.00069 -0.00025 O003 4 0.236714 0.609044 0.626888 11.00000 0.02910 0.02450 = 0.02098 -0.00111 -0.00127 0.00118 N004 3 0.048060 0.448754 0.713540 11.00000 0.01389 0.02036 = 0.02371 -0.00101 -0.00125 -0.00097 AFIX 43 H004 2 -0.132486 0.455422 0.709745 11.00000 -1.20000 AFIX 0 N005 3 0.340520 0.418276 0.612414 11.00000 0.02840 0.02424 = 0.01739 0.00269 -0.00180 0.00700 AFIX 43 H005 2 0.222316 0.459122 0.617177 11.00000 -1.20000 AFIX 0 N006 3 0.224792 0.667158 0.719536 11.00000 0.02373 0.01960 = 0.01718 -0.00067 0.00085 -0.00432 AFIX 43 H006 2 0.271371 0.708069 0.742928 11.00000 -1.20000 AFIX 0 N007 3 0.171908 0.370506 0.702847 11.00000 0.02055 0.01857 = 0.01948 0.00263 0.00179 -0.00249 AFIX 43 H007 2 0.137489 0.329167 0.726791 11.00000 -1.20000 AFIX 0 C008 1 0.346556 0.358680 0.655017 11.00000 0.01588 0.02074 = 0.01741 -0.00270 -0.00392 -0.00609 C009 1 0.215992 0.514522 0.730059 11.00000 0.01616 0.02237 = 0.01495 -0.00332 0.00165 -0.00308 C00A 1 0.306058 0.667138 0.660599 11.00000 0.01823 0.01840 = 0.02193 -0.00022 -0.00511 0.00436 C00B 1 0.057590 0.596452 0.741961 11.00000 0.01355 0.01945 = 0.02195 -0.00328 0.00211 -0.00522 AFIX 13 H00B 2 -0.125958 0.595089 0.721155 11.00000 -1.20000 AFIX 0 C00C 1 0.007420 0.604689 0.809378 11.00000 0.02656 0.01968 = 0.02760 -0.00166 0.00472 -0.00412 AFIX 137 H00A 2 0.186288 0.602333 0.830078 11.00000 -1.50000 H00C 2 -0.111841 0.559319 0.822833 11.00000 -1.50000 H00D 2 -0.083781 0.657601 0.817675 11.00000 -1.50000 AFIX 0 C00D 1 0.803648 0.873330 0.595429 11.00000 0.02598 0.03039 = 0.02735 0.00851 -0.00353 -0.00924 AFIX 43 H00E 2 0.911908 0.917682 0.580440 11.00000 -1.20000 AFIX 0 C00E 1 0.513386 0.419765 0.559837 11.00000 0.02550 0.02204 = 0.01898 0.00120 0.00050 0.00583 C00F 1 0.478190 0.740546 0.640178 11.00000 0.01759 0.02189 = 0.01812 0.00220 -0.00204 0.00402 C00G 1 0.658782 0.728293 0.590646 11.00000 0.02802 0.02780 = 0.02063 0.00212 0.00147 0.00252 AFIX 43 H00G 2 0.668112 0.675856 0.572007 11.00000 -1.20000 AFIX 0 C00H 1 0.706034 0.485526 0.553231 11.00000 0.02452 0.02708 = 0.02730 0.00162 -0.00051 0.00429 AFIX 43 H00H 2 0.726440 0.525737 0.583352 11.00000 -1.20000 AFIX 0 C00I 1 0.822590 0.794528 0.569727 11.00000 0.02505 0.03826 = 0.02573 0.01116 0.00317 0.00323 AFIX 43 H00I 2 0.947139 0.785721 0.537888 11.00000 -1.20000 AFIX 0 C00J 1 0.622924 0.886372 0.643670 11.00000 0.03194 0.02514 = 0.02599 0.00202 -0.00779 -0.00246 AFIX 43 H00J 2 0.609353 0.939600 0.661009 11.00000 -1.20000 AFIX 0 C00K 1 0.482729 0.358309 0.515447 11.00000 0.03923 0.02630 = 0.02394 -0.00079 -0.00611 0.00640 AFIX 43 H00K 2 0.353466 0.314390 0.520058 11.00000 -1.20000 AFIX 0 C00L 1 0.649294 0.364283 0.464397 11.00000 0.04876 0.03828 = 0.01748 -0.00333 0.00252 0.02247 AFIX 43 H00L 2 0.631983 0.323692 0.434449 11.00000 -1.20000 AFIX 0 C00M 1 0.462496 0.820311 0.666110 11.00000 0.02375 0.02389 = 0.02005 -0.00222 -0.00182 0.00045 AFIX 43 H00M 2 0.343160 0.829296 0.698804 11.00000 -1.20000 AFIX 0 C00N 1 0.840199 0.429300 0.457193 11.00000 0.03576 0.05109 = 0.02716 0.01223 0.01357 0.01905 AFIX 43 H00N 2 0.951076 0.432085 0.422655 11.00000 -1.20000 AFIX 0 C00O 1 0.867916 0.490586 0.501142 11.00000 0.02460 0.04633 = 0.02910 0.01160 0.00456 0.00390 AFIX 43 H00O 2 0.994552 0.535013 0.495806 11.00000 -1.20000 AFIX 0 HKLF 4 REM exp_8443_a.res in P2(1)2(1)2(1) REM R1 = 0.0462 for 2828 Fo > 4sig(Fo) and 0.0536 for all 3069 data REM 218 parameters refined using 0 restraints END WGHT 0.0580 1.6418 REM Highest difference peak 0.710, deepest hole -0.384, 1-sigma level 0.088 Q1 1 0.3375 0.2956 0.6529 11.00000 0.05 0.71 Q2 1 0.8089 0.2815 0.6541 11.00000 0.05 0.64 Q3 1 0.5401 0.3300 0.6520 11.00000 0.05 0.49 Q4 1 0.6979 0.5378 0.7345 11.00000 0.05 0.39 Q5 1 0.2354 0.3393 0.7453 11.00000 0.05 0.36 Q6 1 0.4473 0.4608 0.7410 11.00000 0.05 0.33 Q7 1 -0.1974 0.5817 0.7515 11.00000 0.05 0.33 Q8 1 0.5766 0.2119 0.6528 11.00000 0.05 0.32 Q9 1 0.1404 0.3328 0.6554 11.00000 0.05 0.31 Q10 1 0.5369 0.5609 0.7356 11.00000 0.05 0.31 Q11 1 -0.0320 0.6250 0.6371 11.00000 0.05 0.30 Q12 1 -0.3086 0.4615 0.7273 11.00000 0.05 0.30 Q13 1 0.5385 0.4272 0.7244 11.00000 0.05 0.30 Q14 1 -0.1931 0.4298 0.7260 11.00000 0.05 0.29 Q15 1 0.6612 0.4807 0.7403 11.00000 0.05 0.29 Q16 1 -0.0221 0.3169 0.6692 11.00000 0.05 0.28 Q17 1 -0.1581 0.7095 0.8486 11.00000 0.05 0.28 Q18 1 0.7675 0.5610 0.6514 11.00000 0.05 0.27 Q19 1 0.0924 0.7037 0.8484 11.00000 0.05 0.27 Q20 1 0.1405 0.5426 0.7380 11.00000 0.05 0.27 ; _shelx_res_checksum 39022 _shelx_hkl_file ; 0 0 2 2952.73 129.04 0 0 3 -0.20 1.36 0 0 4 275.07 15.08 0 0 5 0.66 2.27 0 0 6 370.81 20.59 0 0 7 -0.47 2.62 0 0 8 320.57 19.74 0 0 9 -0.62 2.93 0 0 10 2629.52 121.95 0 0 11 -1.55 3.03 0 0 12 35.24 6.75 0 0 13 2.81 3.77 0 0 13 -0.74 2.31 0 0 14 970.35 53.64 0 0 15 -2.33 4.02 0 0 16 759.78 46.55 0 0 17 2.73 3.76 0 0 18 133.24 16.49 0 0 19 7.57 2.52 0 0 20 488.86 26.52 0 0 21 0.48 2.64 0 0 22 56.06 6.33 0 0 23 2.71 2.62 0 0 23 0.98 1.76 0 0 24 25.47 4.56 0 0 24 18.89 3.04 0 0 25 2.89 2.09 0 0 25 0.19 0.57 0 0 26 161.48 10.47 0 -1 0 -0.11 0.51 0 1 1 49.69 3.44 0 1 2 2870.38 125.74 0 1 3 394.10 19.10 0 1 3 381.03 17.69 0 1 4 1111.68 51.08 0 1 5 3601.43 159.34 0 1 6 630.78 31.89 0 -1 7 593.36 32.52 0 1 7 628.53 31.81 0 1 8 2570.18 121.18 0 -1 8 2769.61 122.33 0 1 9 749.81 37.19 0 -1 9 766.17 40.09 0 1 9 744.36 39.33 0 -1 10 3491.85 163.91 0 1 10 3539.38 163.00 0 1 10 3672.58 160.41 0 1 11 7.70 3.69 0 -1 11 1.63 3.30 0 1 11 11.63 3.17 0 -1 12 1711.74 84.82 0 1 12 1699.22 80.69 0 1 12 1751.69 84.71 0 1 13 238.84 18.90 0 -1 13 208.02 18.59 0 -1 14 74.65 11.07 0 1 14 82.18 11.02 0 -1 14 78.91 10.81 0 1 15 1.16 3.62 0 -1 15 1.18 3.67 0 1 16 122.96 14.66 0 -1 16 118.39 14.93 0 1 17 171.61 11.67 0 -1 17 173.61 18.82 0 1 17 161.86 17.71 0 1 18 201.27 21.05 0 1 18 248.86 14.79 0 -1 18 205.82 21.88 0 1 19 524.96 27.74 0 -1 19 497.70 37.82 0 1 20 355.71 20.67 0 1 21 7.56 3.20 0 -1 21 2.40 2.84 0 -1 22 78.50 7.65 0 -1 22 77.81 7.04 0 1 22 83.17 7.79 0 1 23 596.08 29.96 0 -1 23 589.40 30.33 0 -1 23 540.85 28.47 0 -1 24 10.98 3.64 0 -1 24 18.53 2.93 0 1 24 11.93 3.53 0 1 24 9.28 2.09 0 1 25 135.66 7.62 0 -1 25 115.00 7.31 0 1 26 78.20 6.39 0 -1 26 70.36 6.24 0 -2 0 71.50 5.32 0 -2 -1 183.22 10.26 0 2 2 0.73 1.90 0 2 3 1857.58 83.71 0 2 4 9999.00 435.32 0 2 5 1220.51 57.12 0 2 6 3766.45 167.74 0 2 7 84.89 8.04 0 2 8 299.36 16.37 0 2 8 383.94 20.73 0 2 9 396.97 22.62 0 -2 9 369.70 23.34 0 2 9 326.38 18.03 0 -2 10 631.80 35.76 0 2 10 692.28 35.40 0 2 10 582.28 30.00 0 2 11 24.18 5.60 0 -2 11 24.87 6.09 0 -2 12 855.49 48.20 0 2 12 871.26 47.54 0 -2 13 3.25 4.07 0 2 13 2.96 3.85 0 2 14 382.60 20.63 0 -2 14 397.74 28.60 0 2 14 428.31 28.50 0 2 15 732.24 35.76 0 -2 15 732.28 45.42 0 2 15 725.71 44.19 0 2 16 1308.16 69.26 0 -2 16 1130.25 68.67 0 2 16 1285.75 59.09 0 2 17 30.54 7.71 0 2 17 33.70 4.75 0 -2 17 36.43 8.83 0 -2 18 224.10 23.32 0 2 18 263.36 15.95 0 2 19 10.05 3.11 0 -2 19 10.01 5.78 0 2 20 92.64 8.37 0 2 21 1050.15 50.22 0 -2 21 1014.29 49.66 0 -2 22 247.74 16.08 0 2 22 278.71 16.18 0 -2 22 238.09 15.04 0 2 23 12.23 3.26 0 -2 23 11.00 2.93 0 -2 23 10.24 3.43 0 2 24 10.90 3.19 0 -2 24 7.86 2.36 0 -2 24 11.51 3.35 0 -2 25 0.21 0.97 0 -2 25 3.67 2.54 0 2 25 5.04 2.32 0 2 26 8.46 2.52 0 -2 26 13.61 3.05 0 -3 0 2.59 2.34 0 -3 -1 2628.28 117.26 0 -3 -2 18.06 3.62 0 -3 -3 1159.21 54.70 0 3 4 1607.56 74.57 0 3 5 551.47 29.27 0 3 6 1313.35 62.57 0 3 7 4205.50 188.37 0 3 8 789.17 41.17 0 3 9 0.68 3.00 0 3 10 23.52 5.71 0 3 10 20.00 2.94 0 3 11 185.38 10.95 0 -3 11 204.36 17.58 0 3 11 173.81 15.37 0 -3 12 16.52 5.90 0 3 12 18.86 3.23 0 3 12 18.62 5.10 0 3 13 1509.11 69.03 0 -3 13 1420.24 78.61 0 3 13 1597.55 77.68 0 -3 14 40.58 9.13 0 3 14 57.14 5.47 0 3 14 53.10 9.21 0 3 15 178.27 18.17 0 -3 15 207.95 20.65 0 3 15 202.11 12.59 0 -3 16 558.06 39.74 0 3 16 595.95 38.29 0 3 16 570.02 29.43 0 -3 17 35.57 9.19 0 3 17 28.97 7.28 0 3 17 36.51 4.89 0 3 18 251.22 15.40 0 -3 18 197.21 22.31 0 -3 19 13.95 7.06 0 3 19 15.05 3.79 0 -3 20 252.41 15.73 0 3 20 251.80 15.85 0 3 21 32.94 5.07 0 -3 21 33.28 4.79 0 3 22 -0.87 2.37 0 -3 22 2.37 2.43 0 -3 23 92.09 7.62 0 -3 23 110.56 9.04 0 3 23 104.72 8.46 0 3 24 10.98 3.27 0 -3 24 15.93 2.86 0 -3 24 14.64 3.62 0 3 25 52.18 4.92 0 -3 25 49.13 5.12 0 3 26 13.16 2.80 0 -3 26 17.31 2.95 0 -4 0 758.67 38.07 0 -4 -1 52.72 6.03 0 -4 1 62.31 6.92 0 -4 -2 7.40 3.25 0 -4 -3 12.94 4.00 0 -4 -4 269.94 17.41 0 -4 -5 208.99 15.01 0 4 6 203.24 14.73 0 4 7 615.10 33.86 0 4 8 159.94 13.32 0 4 9 638.07 34.49 0 4 9 575.50 28.16 0 4 10 828.43 39.61 0 4 10 909.31 46.54 0 4 11 670.74 32.61 0 4 11 696.78 39.40 0 4 12 979.85 52.86 0 4 12 947.80 45.16 0 -4 12 976.45 55.60 0 -4 13 347.02 28.16 0 4 13 374.88 19.72 0 4 13 352.52 26.15 0 4 14 464.79 24.08 0 -4 14 442.50 33.66 0 4 14 448.87 31.41 0 4 15 -0.39 2.25 0 4 15 2.44 3.36 0 -4 15 7.87 6.14 0 -4 16 63.72 12.74 0 4 16 76.17 7.07 0 4 16 70.68 11.32 0 -4 17 84.94 14.25 0 4 17 97.98 8.21 0 -4 17 92.33 14.78 0 -4 18 104.61 16.11 0 4 18 124.84 9.45 0 -4 18 98.22 8.74 0 4 19 74.15 7.21 0 -4 19 74.65 7.26 0 -4 19 58.44 12.57 0 -4 20 55.86 12.13 0 -4 20 60.24 6.68 0 4 20 74.40 7.06 0 4 21 11.70 3.19 0 -4 21 3.43 2.66 0 4 22 68.39 6.61 0 -4 22 57.09 6.10 0 4 23 10.84 3.21 0 -4 23 9.82 3.45 0 -4 23 13.52 2.97 0 4 24 66.26 6.05 0 -4 24 58.83 5.29 0 -4 24 59.51 6.33 0 -4 25 29.58 4.09 0 -4 25 23.55 2.86 0 4 26 89.82 6.39 0 -4 26 71.14 5.98 0 -5 0 1.68 2.79 0 -5 -1 321.85 19.72 0 -5 -2 500.78 28.08 0 -5 -3 1501.47 72.27 0 -5 -4 477.95 27.80 0 -5 -5 36.12 6.54 0 -5 -6 346.55 22.97 0 -5 -7 0.82 4.26 0 5 8 141.38 8.74 0 -5 -8 159.00 14.53 0 5 9 136.81 8.62 0 5 10 10.86 4.74 0 5 10 11.70 2.56 0 5 11 226.71 18.40 0 5 11 199.97 12.11 0 5 12 417.73 21.62 0 5 12 396.16 28.40 0 -5 13 118.12 15.67 0 5 13 120.05 8.64 0 5 13 111.97 13.62 0 5 14 1011.30 47.87 0 -5 14 1074.01 61.84 0 -5 14 941.20 47.23 0 5 14 1101.95 58.00 0 -5 15 43.64 10.39 0 5 15 35.87 4.70 0 -5 15 32.11 4.44 0 5 16 13.28 3.56 0 -5 16 23.99 8.40 0 -5 16 13.56 3.23 0 5 17 3.59 2.49 0 -5 17 6.47 2.71 0 -5 18 498.59 26.62 0 5 18 519.67 27.11 0 -5 18 410.20 37.54 0 -5 18 449.13 39.33 0 -5 -18 535.01 41.91 0 -5 19 641.72 48.93 0 -5 19 682.70 35.98 0 5 19 729.53 36.40 0 -5 20 317.43 18.58 0 -5 -20 269.19 29.98 0 5 20 323.08 18.71 0 5 21 81.46 7.45 0 -5 21 78.81 7.34 0 5 22 233.02 14.51 0 -5 22 231.87 14.21 0 -5 23 2.93 2.12 0 5 23 0.37 2.42 0 -5 24 4.61 1.90 0 5 24 10.28 2.55 0 -5 24 5.95 2.59 0 -5 25 1.85 1.98 0 5 25 -0.29 1.99 0 -6 0 52.66 7.27 0 -6 -1 229.27 16.85 0 -6 -2 118.78 11.08 0 -6 -3 21.57 5.43 0 -6 -4 4402.85 199.56 0 -6 -5 77.02 10.03 0 -6 -6 21.10 5.99 0 6 6 18.29 2.62 0 -6 -7 412.44 26.70 0 6 7 373.87 19.18 0 -6 -8 22.39 6.57 0 6 8 16.09 2.78 0 6 9 126.46 8.65 0 -6 -9 175.01 16.30 0 -6 -10 109.05 13.61 0 6 10 77.53 6.30 0 6 11 137.68 9.31 0 -6 -11 152.66 16.85 0 -6 -12 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25 55.58 5.19 -1 4 25 63.90 5.37 -1 4 24 91.07 7.00 1 -4 24 78.60 6.96 1 -4 23 28.46 4.47 -1 4 23 31.77 4.33 1 -4 22 19.35 4.25 -1 4 22 28.52 4.42 -1 4 21 175.91 11.87 1 -4 21 166.97 10.66 1 -4 20 70.32 6.54 -1 4 20 95.08 7.97 1 -4 19 468.92 25.03 -1 4 19 502.52 26.25 -1 -4 -19 549.64 43.27 1 -4 19 415.63 38.50 -1 4 18 110.75 8.99 1 -4 18 106.73 8.42 1 -4 18 109.37 17.65 1 -4 18 113.79 17.99 1 -4 17 7.82 5.77 -1 4 17 7.68 2.97 1 -4 17 4.04 5.58 1 -4 17 11.85 2.94 1 -4 16 534.94 42.48 1 -4 16 573.11 29.16 -1 4 16 600.53 29.88 1 -4 16 533.65 42.52 -1 4 15 12.64 3.23 1 -4 15 7.35 5.44 1 -4 15 14.70 6.65 1 -4 15 11.93 2.86 1 -4 14 190.11 22.55 -1 4 14 227.98 13.21 1 -4 14 177.42 21.21 1 -4 14 202.42 12.56 1 -4 13 57.16 11.64 -1 4 13 62.49 5.92 1 -4 13 57.00 11.60 -1 4 12 12.13 2.79 1 -4 12 13.17 6.31 1 -4 12 16.00 6.45 -1 4 11 282.87 15.51 1 -4 11 284.48 24.33 1 -4 11 289.27 24.47 -1 4 10 44.42 4.41 1 -4 10 43.80 9.03 1 -4 10 32.98 8.45 -1 4 9 137.84 8.47 -1 -4 -6 972.82 50.62 -1 -4 -5 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23 140.75 9.68 -1 -6 23 144.07 9.34 -1 -6 24 6.90 2.10 -1 -6 24 8.20 2.41 1 6 24 4.91 2.37 -1 -6 25 53.74 4.18 1 -7 24 55.52 4.86 -1 7 24 57.45 5.11 -1 7 23 75.68 6.36 -1 7 22 5.63 2.42 -1 7 21 2.35 2.41 -1 7 20 207.21 13.57 -1 7 19 154.32 11.19 1 -7 18 24.52 9.90 -1 -7 -18 36.00 11.07 -1 7 18 20.88 4.19 1 -7 18 24.40 9.85 -1 7 17 347.57 19.77 -1 -7 -17 341.60 32.80 1 -7 17 331.06 33.07 1 -7 17 279.61 32.05 1 -7 16 582.35 47.02 1 -7 16 666.16 48.30 -1 7 16 588.74 30.99 -1 -7 -16 567.53 45.25 1 -7 16 599.26 30.47 -1 -7 -15 247.10 26.42 -1 7 15 222.19 14.53 1 -7 15 189.45 24.89 1 -7 15 237.14 14.41 1 -7 15 273.71 28.25 1 -7 14 372.30 20.16 1 -7 14 372.93 33.69 1 -7 14 322.43 32.65 -1 -7 -14 353.15 32.23 -1 7 14 356.46 20.27 -1 -7 -13 77.72 13.68 1 -7 13 82.18 15.03 -1 7 13 91.71 7.51 1 -7 13 87.55 15.03 1 -7 13 74.00 6.91 1 -7 12 177.12 11.30 -1 -7 -12 161.48 19.13 1 -7 12 172.84 21.42 -1 7 12 158.80 11.05 -1 -7 -11 31.70 8.23 -1 7 11 19.79 3.53 1 -7 11 27.87 3.90 -1 -7 -10 18.34 7.11 -1 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8.82 2 -11 7 96.37 8.71 2 -11 7 92.62 17.57 2 -11 7 100.73 8.53 2 -11 7 92.65 15.10 -2 11 6 110.91 9.20 2 -11 6 97.56 9.07 2 -11 6 115.54 18.78 2 -11 6 117.22 9.16 2 -11 6 78.65 13.85 -2 11 5 230.11 14.92 2 -11 5 235.38 26.91 2 -11 5 183.80 21.68 2 -11 5 237.93 15.42 2 -11 5 243.71 15.12 2 -11 4 170.74 22.15 2 -11 4 177.13 20.08 2 -11 4 177.72 13.21 2 -11 4 208.60 13.26 2 -11 3 53.72 6.85 2 -11 3 63.37 12.82 2 -11 3 58.78 6.48 2 -11 2 527.58 29.47 2 -11 2 565.19 29.11 2 -11 1 119.38 9.57 2 -11 0 4.76 3.13 2 -11 0 7.69 2.95 2 -11 -1 131.37 10.58 2 -11 -1 120.47 9.76 2 -11 -2 548.84 29.83 2 -11 -2 545.75 29.15 2 -11 -3 65.99 7.31 2 -11 -4 201.14 14.09 2 11 5 210.09 13.41 2 -11 -5 174.23 13.21 2 11 6 151.91 11.09 2 -11 -6 136.90 11.01 2 11 7 83.88 8.14 2 -11 -7 98.82 8.71 2 11 8 267.95 16.49 2 -11 -8 251.54 16.23 2 11 9 38.12 5.46 2 -11 -9 31.93 4.93 2 11 10 15.07 3.74 2 -11 -10 10.33 3.28 2 11 11 12.03 3.61 2 11 12 38.62 5.43 2 11 13 38.89 5.40 2 11 14 90.34 7.92 2 11 15 111.05 8.72 2 11 16 39.79 4.66 2 11 16 33.47 4.41 2 11 17 20.45 2.99 2 11 17 -0.30 1.42 2 11 18 107.27 7.04 2 -12 20 17.97 2.16 2 -12 19 81.47 5.94 2 -12 18 62.78 5.64 2 -12 16 0.21 0.62 2 -12 15 31.17 3.66 2 -12 14 6.59 2.20 -2 12 13 20.62 4.03 2 -12 13 31.53 4.03 -2 12 12 70.41 7.00 2 -12 12 76.80 6.74 2 -12 11 46.07 4.90 -2 12 11 33.38 5.10 2 -12 11 45.08 5.22 -2 12 10 25.71 4.45 2 -12 10 26.55 4.21 2 -12 10 34.82 4.73 -2 12 9 11.17 3.84 2 -12 9 6.13 2.77 2 -12 9 15.14 3.49 2 -12 8 9.35 3.40 -2 12 8 11.39 3.63 2 -12 8 18.64 9.41 2 -12 8 13.85 3.51 2 -12 8 3.64 4.26 -2 12 7 125.95 10.34 2 -12 7 133.05 18.07 2 -12 7 138.36 10.83 2 -12 7 143.07 21.14 2 -12 7 133.33 10.25 2 -12 6 28.66 9.87 2 -12 6 34.22 5.43 2 -12 6 42.78 5.56 2 -12 5 70.65 7.72 2 -12 5 63.02 13.47 2 -12 5 71.24 7.33 2 -12 4 108.53 9.94 2 -12 4 86.71 15.47 2 -12 4 132.38 10.05 2 -12 3 73.64 7.98 2 -12 3 68.38 7.23 2 -12 2 12.57 3.90 2 -12 2 13.31 3.81 2 -12 1 166.18 12.05 2 -12 0 30.54 5.49 2 -12 0 25.28 4.49 2 -12 -1 172.50 12.92 2 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252.90 17.58 3 -2 11 0.39 2.21 3 -2 11 1.50 2.55 3 -2 11 1.84 5.06 3 2 -11 1.74 3.35 3 -2 10 19.72 4.45 3 -2 10 23.08 3.93 3 -2 10 22.35 8.06 3 2 -10 19.91 4.80 3 -2 9 156.36 10.98 3 -2 9 148.46 18.91 3 -2 9 177.03 12.35 3 2 -9 172.80 12.72 3 -2 8 327.84 18.18 3 2 -8 328.59 19.65 3 -2 8 301.16 26.95 3 -2 8 320.99 19.31 3 -2 7 252.20 15.30 3 2 -7 287.85 15.12 3 -2 7 250.75 23.05 3 -2 7 262.99 16.58 3 2 -7 257.26 16.68 3 -2 6 14.47 3.62 3 2 -6 12.46 2.78 3 -2 6 13.52 5.30 3 2 -6 8.42 3.31 3 -2 5 219.94 13.33 3 2 -5 230.05 13.17 3 -2 5 210.65 19.22 3 2 -5 236.67 14.76 3 -2 5 211.99 13.79 3 -2 4 170.47 10.77 3 2 -4 173.57 11.92 3 2 -4 167.41 10.66 3 -2 4 144.91 15.21 3 -2 4 162.99 11.30 3 -2 3 309.14 21.59 3 2 -3 289.49 16.28 3 -2 3 297.57 17.47 3 -2 3 292.35 17.03 3 2 -3 276.47 17.24 3 2 -2 216.00 13.18 3 -2 2 230.25 14.35 3 2 -2 221.44 14.25 3 -2 1 133.21 9.46 3 2 -1 131.45 9.96 3 2 0 260.01 15.58 3 -2 0 247.25 15.07 3 -2 -1 112.70 8.65 3 2 1 103.99 8.68 3 -2 -2 197.78 12.98 3 -2 -3 306.12 18.07 3 -2 -3 304.48 17.76 3 2 4 183.70 12.02 3 -2 -4 205.34 13.19 3 -2 -4 190.08 12.67 3 2 5 214.34 13.74 3 -2 -5 226.46 13.50 3 -2 -5 225.97 14.80 3 -2 -5 250.62 14.66 3 2 6 13.56 3.15 3 -2 -6 14.35 2.96 3 2 6 17.67 6.89 3 -2 -6 18.39 4.27 3 -2 -7 269.13 14.86 3 -2 -7 262.30 16.71 3 2 7 234.25 23.94 3 2 8 358.58 20.34 3 2 8 384.65 31.42 3 -2 -8 361.61 21.58 3 2 9 143.80 10.82 3 -2 -9 158.45 12.04 3 2 9 156.54 19.52 3 2 10 37.22 9.95 3 2 10 21.73 4.29 3 -2 -10 31.72 5.55 3 2 11 0.46 2.52 3 -2 -11 5.83 3.70 3 2 11 5.88 6.12 3 2 12 304.64 18.10 3 -2 -12 297.59 19.32 3 2 12 264.39 28.63 3 2 13 169.86 12.04 3 -2 -13 161.64 13.13 3 2 13 144.46 21.12 3 2 14 96.25 8.48 3 2 14 80.54 15.42 3 -2 -14 99.04 10.02 3 2 15 21.76 4.07 3 -2 -15 11.46 4.65 3 2 15 15.40 7.97 3 2 16 21.22 3.90 3 -2 -16 20.08 5.22 3 2 17 19.05 3.49 3 -2 -17 15.72 4.60 3 2 18 194.52 11.99 3 -2 -18 222.25 14.97 3 2 19 12.83 2.34 3 -2 -19 16.49 4.56 3 -2 -20 71.54 7.32 3 -2 -21 159.88 11.01 3 -2 -22 32.92 4.23 -3 -2 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3 -10 9 74.73 7.26 3 -10 8 12.14 4.35 3 -10 8 17.26 3.85 3 -10 7 227.31 15.80 3 -10 7 228.67 15.14 3 -10 6 7.94 3.65 3 -10 6 7.37 3.43 3 -10 6 3.82 2.18 3 -10 5 106.64 9.77 3 -10 5 106.67 9.82 3 -10 4 24.79 4.88 3 -10 4 32.77 5.53 3 -10 3 333.82 20.12 3 -10 3 324.38 20.40 3 -10 2 31.38 5.05 3 -10 1 34.56 5.24 3 -10 0 14.27 3.57 3 -10 0 19.24 4.57 3 -10 -1 25.23 5.20 3 -10 -2 26.83 5.60 3 -10 -3 310.16 19.76 3 -10 -4 28.16 5.49 3 -10 -5 118.19 10.32 3 -10 -6 6.98 3.51 3 -10 -7 219.31 14.89 3 -10 -8 11.55 3.36 3 -10 -9 76.34 7.46 3 -10 -10 507.82 26.61 3 10 12 16.26 3.97 3 10 13 208.25 13.46 3 10 14 36.54 4.85 3 10 15 22.12 3.69 3 10 16 74.93 6.08 3 10 17 134.93 8.36 3 10 18 13.33 2.04 3 -11 18 86.43 5.78 3 -11 17 49.11 4.61 3 -11 14 20.22 3.90 3 -11 13 49.97 5.96 3 -11 12 56.07 6.65 3 -11 11 1.48 3.04 3 -11 10 278.76 17.65 3 -11 9 75.12 7.88 3 -11 9 69.21 6.85 3 -11 8 7.53 3.68 3 -11 8 4.42 2.77 3 -11 7 277.78 17.54 3 -11 7 259.12 16.68 3 -11 6 43.96 6.00 3 -11 6 47.18 6.31 3 -11 5 25.81 5.09 3 -11 5 20.42 4.69 3 -11 4 74.31 7.79 3 -11 4 70.40 8.06 3 -11 3 128.15 10.28 3 -11 3 121.52 10.74 3 -11 2 4.23 2.73 3 -11 1 5.73 2.73 3 -11 0 77.18 8.63 3 -11 -1 6.63 3.67 3 -11 -2 7.17 4.04 3 -11 -3 112.14 10.30 3 -11 -4 71.46 8.07 3 -11 -5 23.14 5.07 3 -11 -6 26.30 5.26 3 -11 -7 272.12 17.24 3 -11 -8 10.52 3.43 3 -11 -9 57.58 6.21 3 -11 -10 239.98 14.44 3 11 12 47.66 5.58 3 11 13 30.54 4.49 3 11 14 18.71 3.43 3 11 15 20.88 3.24 3 11 16 19.11 2.91 3 11 17 28.15 2.95 3 -12 15 36.25 4.27 3 -12 14 12.13 3.06 3 -12 13 33.28 4.56 3 -12 12 0.40 2.65 3 -12 11 106.01 8.80 3 -12 10 26.91 4.74 3 -12 10 16.39 2.78 3 -12 9 159.23 11.72 3 -12 9 161.15 10.81 3 -12 8 55.31 6.70 3 -12 8 66.83 6.57 3 -12 7 100.26 8.89 3 -12 7 97.25 8.54 3 -12 6 64.05 7.23 3 -12 6 66.86 7.15 3 -12 5 -0.47 2.71 3 -12 5 -1.53 3.00 3 -12 4 2.77 2.59 3 -12 4 2.13 3.09 3 -12 3 278.54 16.46 3 -12 3 245.44 17.07 3 -12 2 11.19 3.35 3 -12 0 59.31 7.46 3 -12 -1 113.35 10.22 3 -12 -2 16.12 4.13 3 -12 -3 243.23 16.49 3 -12 -4 4.92 3.37 3 -12 -5 2.62 3.04 3 -12 -6 85.68 8.29 3 -12 -7 99.21 8.70 3 -12 -8 56.19 6.26 3 -12 -9 146.25 10.32 3 -12 -10 31.83 4.01 3 12 12 2.03 2.51 3 12 13 49.68 5.11 3 12 14 20.08 3.16 3 12 15 37.55 3.82 3 12 16 30.80 3.04 3 -13 16 101.37 6.10 3 -13 15 14.43 2.45 3 -13 14 94.64 6.80 3 -13 13 188.19 11.30 3 -13 12 39.47 4.57 3 -13 11 65.10 6.14 3 -13 10 161.44 8.37 3 -13 10 0.22 0.46 3 -13 9 22.98 4.04 3 -13 9 18.54 3.30 3 -13 8 5.54 2.83 3 -13 8 1.73 2.20 3 -13 7 -0.40 2.55 3 -13 7 -1.96 2.70 3 -13 6 115.79 9.34 3 -13 6 136.56 10.08 3 -13 5 50.83 5.83 3 -13 5 54.29 6.25 3 -13 4 28.65 4.25 3 -13 4 23.25 4.51 3 -13 3 14.07 3.27 3 -13 3 15.61 4.11 3 -13 0 102.71 9.47 3 -13 -1 36.90 5.82 3 -13 -2 35.42 5.82 3 -13 -3 14.46 4.14 3 -13 -4 31.89 5.32 3 -13 -5 58.30 6.79 3 -13 -6 155.75 11.30 3 -13 -7 3.22 2.66 3 -13 -8 3.22 2.44 3 -13 -9 16.90 2.99 3 13 11 77.16 6.47 3 13 12 41.97 4.47 3 13 13 192.00 11.07 3 13 14 97.07 6.45 3 13 15 18.87 2.33 3 -14 14 35.49 3.10 3 -14 13 39.63 3.66 3 -14 12 58.87 4.82 3 -14 11 0.49 1.68 3 -14 10 103.44 7.41 3 -14 9 8.85 2.52 3 -14 9 0.83 0.75 3 -14 8 5.34 2.22 3 -14 8 6.21 2.10 3 -14 7 74.97 6.38 3 -14 7 77.11 6.53 3 -14 6 111.81 8.09 3 -14 6 110.78 8.57 3 -14 5 67.28 5.94 3 -14 5 72.63 6.81 3 -14 4 29.97 4.77 3 -14 3 89.31 8.04 3 -14 0 5.58 3.40 3 -14 -1 38.15 5.58 3 -14 -2 2.30 2.75 3 -14 -3 110.02 9.28 3 -14 -4 33.44 5.02 3 -14 -5 90.27 7.93 3 -14 -6 111.06 8.61 3 -14 -7 86.40 7.12 3 -14 -8 4.74 2.08 3 -14 -9 7.60 2.02 3 14 10 108.78 7.58 3 14 11 0.24 1.57 3 14 12 60.84 4.85 3 14 13 41.57 3.59 3 14 14 29.97 2.60 3 -15 10 30.03 2.83 3 -15 9 57.03 4.30 3 -15 8 5.61 1.63 3 -15 8 0.69 0.68 3 -15 7 30.81 3.16 3 -15 7 34.64 3.72 3 -15 6 56.45 5.24 3 -15 5 53.88 5.25 3 -15 4 73.35 6.41 3 -15 3 84.83 7.22 3 -15 0 94.19 7.86 3 -15 -1 42.87 5.27 3 -15 -2 32.83 4.63 3 -15 -3 65.69 6.33 3 -15 -4 91.73 7.42 3 -15 -5 67.96 6.07 3 -15 -6 59.36 5.42 3 -15 -7 45.06 4.34 3 15 8 10.74 2.37 3 -15 -8 3.08 1.32 3 15 11 18.58 2.39 3 15 12 5.61 1.23 3 -16 6 14.90 2.12 3 -16 5 8.57 1.94 3 -16 4 83.93 6.12 3 -16 3 12.40 2.62 3 -16 2 170.37 10.34 3 -16 0 45.58 4.67 3 16 1 0.14 0.35 3 -16 -1 58.67 4.68 3 16 2 -0.16 0.84 3 -16 -2 156.30 7.12 3 16 3 6.62 1.61 3 -16 -3 11.25 2.48 3 16 4 75.84 5.27 3 -16 -4 80.49 6.02 3 16 5 6.36 1.69 3 -16 -5 7.69 1.95 3 16 6 17.89 2.33 3 -16 -6 14.50 2.16 3 16 7 66.74 4.66 3 16 8 18.31 2.18 3 -17 3 53.69 3.87 3 -17 2 53.26 4.03 3 -17 0 62.14 4.56 3 -17 -1 19.52 2.48 3 -17 -2 54.93 4.13 3 -17 -3 58.71 4.17 4 0 0 283.96 16.28 4 0 0 288.24 17.56 4 0 1 120.28 9.07 4 0 -1 139.39 10.30 4 0 1 120.10 9.77 4 0 -1 114.45 8.46 4 0 2 271.71 15.97 4 0 -2 276.06 16.85 4 0 2 244.08 16.23 4 0 -2 281.88 17.93 4 0 3 209.69 13.65 4 0 -3 236.98 14.58 4 0 -3 197.77 14.84 4 0 4 23.22 3.97 4 0 -4 14.73 3.92 4 0 -4 21.69 5.32 4 0 5 50.16 5.88 4 0 -5 48.92 6.01 4 0 -5 58.03 7.39 4 0 6 17.56 3.79 4 0 -6 19.76 3.88 4 0 -6 15.80 4.88 4 0 7 276.48 16.78 4 0 -7 252.84 18.01 4 0 -7 289.56 16.30 4 0 -8 5.62 3.85 4 0 -9 239.43 16.94 4 0 10 69.05 6.70 4 0 -10 51.63 7.28 4 0 11 -0.87 2.88 4 0 -11 -0.62 3.62 4 0 12 11.87 3.31 4 0 -12 11.02 4.21 4 0 13 215.34 13.45 4 0 -13 196.91 14.93 4 0 14 10.77 3.35 4 0 14 6.48 2.27 4 0 -14 15.16 4.47 4 0 15 17.65 3.27 4 0 -15 17.25 4.32 4 0 16 25.27 3.54 4 0 -16 25.16 4.76 4 0 -17 63.75 6.68 4 0 17 65.39 5.24 4 0 -18 22.54 3.84 -4 0 18 19.08 2.50 -4 1 19 0.44 1.09 4 -1 16 0.20 0.58 4 -1 16 245.72 8.86 4 -1 15 10.90 2.97 4 -1 14 94.48 7.64 4 -1 13 29.68 4.36 4 -1 12 227.27 14.25 4 -1 11 110.95 8.98 4 -1 10 374.61 21.06 4 -1 7 21.19 4.06 4 -1 6 291.67 17.88 4 1 -6 328.42 18.05 4 -1 5 158.11 11.43 4 1 -5 173.76 11.59 4 -1 4 324.48 19.22 4 1 -4 359.09 19.85 4 -1 3 50.57 5.66 4 1 -3 47.27 6.16 4 1 -2 116.43 9.29 4 -1 2 97.66 8.19 4 -1 1 0.36 2.01 4 1 -1 3.27 2.07 4 1 -1 4.17 2.60 4 1 0 250.28 15.08 4 1 0 247.22 16.04 4 -1 0 256.21 16.18 4 -1 0 272.63 15.11 4 -1 -1 3.12 2.03 4 1 1 -1.15 2.67 4 -1 -1 4.21 2.76 4 1 2 92.75 7.80 4 -1 -2 85.33 7.98 4 -1 -2 82.36 8.73 4 1 3 52.51 5.98 4 -1 -3 54.99 6.32 4 1 3 39.80 5.85 4 -1 -3 52.18 6.91 4 1 4 315.74 18.78 4 -1 -4 320.60 18.98 4 1 4 321.03 19.05 4 -1 -4 352.68 20.83 4 1 5 156.18 11.49 4 -1 -5 170.12 11.54 4 1 5 173.08 11.96 4 -1 -5 156.17 13.00 4 1 6 313.66 18.67 4 -1 -6 327.42 18.32 4 -1 -6 308.03 20.25 4 1 7 18.75 4.19 4 -1 -7 22.38 3.99 4 -1 -7 20.30 5.28 4 1 8 24.42 4.66 4 -1 -8 34.85 6.13 4 -1 -9 26.32 5.54 4 1 10 333.73 19.07 4 -1 -10 296.89 20.14 4 1 11 98.57 8.25 4 1 11 75.58 7.09 4 -1 -11 73.90 8.62 4 1 12 226.49 13.69 4 1 12 187.55 12.15 4 -1 -12 183.58 14.46 4 1 13 25.29 4.32 4 1 13 17.46 3.20 4 -1 -13 20.56 5.08 4 1 14 101.71 7.82 4 -1 -14 101.50 9.32 4 1 15 10.24 2.85 4 -1 -15 9.33 3.95 4 -1 -16 227.53 15.29 4 1 16 247.59 13.82 4 1 17 5.51 2.16 4 -1 -17 6.65 3.19 4 -1 -18 55.46 5.63 4 1 18 54.47 4.31 4 2 -18 20.26 3.43 4 2 -17 6.95 2.80 4 2 -16 7.93 3.20 4 -2 15 21.85 3.58 4 2 -15 19.04 4.29 4 -2 14 23.99 3.84 4 2 -14 29.05 5.22 4 2 -13 296.30 19.78 4 -2 13 345.14 18.44 4 -2 12 13.12 3.53 4 2 -12 15.18 4.47 4 2 -11 85.60 9.01 4 -2 11 79.23 7.20 4 -2 10 8.60 3.29 4 2 -10 5.47 3.59 4 2 -9 230.17 16.28 4 2 -8 57.70 7.36 4 2 -7 109.08 10.49 4 -2 7 132.77 9.74 4 2 -6 369.28 22.16 4 -2 6 345.41 19.95 4 2 -5 225.22 13.92 4 2 -5 205.60 15.21 4 -2 5 217.59 13.77 4 2 -4 68.76 6.93 4 2 -4 64.12 7.98 4 -2 4 74.92 6.91 4 2 -3 144.18 10.55 4 2 -3 153.56 11.86 4 -2 3 130.61 9.89 4 2 -2 164.19 11.58 4 -2 2 150.01 10.57 4 2 -1 244.68 14.65 4 2 -1 261.23 16.07 4 -2 1 259.67 15.05 4 -2 0 -0.33 2.34 4 2 0 0.37 2.22 4 2 1 224.67 13.98 4 -2 -1 223.64 14.48 4 -2 -1 219.85 13.05 4 2 2 156.92 11.24 4 2 2 154.82 11.47 4 -2 -2 161.30 11.57 4 2 3 100.43 8.98 4 2 3 124.03 9.60 4 -2 -3 118.78 9.46 4 -2 -3 123.87 10.54 4 2 4 77.67 7.38 4 -2 -4 63.32 6.86 4 2 4 64.92 7.12 4 -2 -4 85.04 8.61 4 2 5 227.52 14.82 4 -2 -5 251.84 14.87 4 2 5 216.51 14.62 4 -2 -5 235.90 16.40 4 2 6 344.33 20.32 4 -2 -6 373.92 19.93 4 2 6 335.39 20.04 4 -2 -6 354.38 21.85 4 2 7 139.75 10.94 4 -2 -7 151.31 10.25 4 2 7 135.51 10.51 4 -2 -7 171.02 12.97 4 2 8 62.43 6.95 4 2 8 61.59 6.44 4 -2 -8 55.75 7.56 4 2 9 211.99 13.58 4 -2 -9 220.09 15.71 4 2 10 8.48 3.54 4 2 10 11.42 3.23 4 -2 -10 18.98 5.09 4 2 11 86.20 7.89 4 2 11 72.08 6.60 4 -2 -11 90.73 9.11 4 2 12 20.44 4.18 4 2 12 12.57 2.80 4 -2 -12 10.04 4.26 4 2 13 374.19 20.49 4 -2 -13 339.10 21.56 4 2 14 20.52 3.93 4 -2 -14 15.08 4.41 4 2 15 29.32 4.09 4 -2 -15 27.94 5.08 4 2 16 11.76 2.92 4 -2 -16 13.09 3.74 4 2 17 11.70 2.51 4 -2 -17 15.85 3.62 4 2 18 15.59 2.38 4 -2 -18 15.71 3.19 4 3 -18 82.62 6.62 4 3 -17 80.37 7.00 4 3 -16 176.45 11.96 4 3 -15 62.84 6.92 4 -3 14 19.50 3.49 4 3 -14 17.27 4.31 4 3 -13 62.69 7.25 4 -3 13 58.84 5.97 4 3 -12 198.27 14.76 4 -3 12 225.19 13.40 4 3 -11 388.61 24.03 4 -3 11 437.87 22.69 4 3 -10 139.01 11.92 4 -3 10 157.21 10.73 4 3 -9 345.28 20.94 4 -3 9 320.80 18.64 4 3 -8 34.70 6.15 4 3 -7 65.74 7.94 4 -3 7 73.82 6.91 4 3 -6 173.06 13.24 4 -3 6 162.62 11.41 4 3 -5 110.50 9.97 4 -3 5 105.56 8.61 4 3 -4 105.72 8.55 4 3 -4 111.71 9.79 4 -3 4 89.63 7.92 4 -3 3 7.60 2.90 4 3 -3 8.20 3.43 4 3 -3 6.74 3.57 4 3 -2 58.41 6.33 4 -3 2 51.79 5.57 4 3 -1 80.69 6.97 4 -3 1 88.95 7.17 4 3 0 176.06 11.51 4 -3 0 169.14 10.94 4 3 1 83.69 7.70 4 3 1 91.96 8.04 4 3 2 41.37 5.48 4 3 2 59.98 6.32 4 -3 -2 47.18 5.94 4 3 3 3.08 2.47 4 3 3 3.49 3.08 4 -3 -3 3.10 2.80 4 -3 -3 5.08 3.53 4 3 4 81.05 7.81 4 3 4 90.45 8.02 4 -3 -4 93.71 8.04 4 -3 -4 85.93 8.81 4 3 5 115.76 9.66 4 -3 -5 139.20 9.93 4 3 5 119.47 9.45 4 -3 -5 123.94 11.05 4 3 6 148.56 10.97 4 -3 -6 129.14 9.82 4 3 6 139.91 10.34 4 -3 -6 137.52 11.71 4 3 7 67.00 7.20 4 -3 -7 72.52 6.50 4 3 7 74.02 6.95 4 -3 -7 62.96 7.94 4 3 8 43.74 5.83 4 -3 -8 40.61 4.84 4 3 8 41.38 5.19 4 -3 -8 39.80 6.41 4 3 9 356.50 19.74 4 -3 -9 368.23 22.26 4 -3 -10 134.24 11.35 4 3 10 123.63 8.94 4 3 11 404.45 21.94 4 3 11 353.29 19.73 4 -3 -11 415.58 23.29 4 3 12 207.15 13.27 4 3 12 184.18 10.98 4 -3 -12 183.83 14.03 4 3 13 69.74 6.83 4 -3 -13 45.50 6.51 4 3 14 11.51 3.41 4 -3 -14 14.10 4.10 4 3 15 71.47 6.37 4 -3 -15 57.06 6.89 4 3 16 194.74 11.38 4 -3 -16 173.67 12.25 4 -3 -17 80.12 7.08 4 3 17 81.30 5.96 4 -3 -18 81.18 6.68 4 3 18 80.99 5.44 4 3 19 0.98 0.91 4 4 -17 149.32 9.82 4 4 -16 109.10 8.48 4 4 -15 99.32 8.35 4 4 -14 8.93 3.31 4 4 -13 49.56 6.34 4 4 -12 75.45 7.85 4 -4 11 3.96 2.63 4 -4 11 6.35 3.86 4 4 -11 2.65 2.88 4 -4 10 338.06 20.95 4 4 -10 347.38 21.07 4 -4 10 352.76 19.36 4 -4 9 59.82 7.48 4 4 -9 61.65 7.29 4 -4 9 55.03 5.89 4 4 -8 39.24 6.24 4 4 -7 129.24 10.91 4 -4 7 125.32 9.36 4 -4 6 3.11 2.43 4 -4 6 -1.18 3.25 4 4 -6 3.91 3.49 4 4 -5 183.44 13.48 4 -4 5 177.94 11.85 4 4 -4 50.48 6.60 4 -4 4 50.34 5.59 4 -4 3 66.47 6.35 4 4 -1 2.77 1.88 4 4 0 30.31 4.40 4 4 0 35.47 4.95 4 4 1 4.47 2.40 4 4 1 4.48 2.82 4 4 2 135.96 10.30 4 4 2 140.59 10.28 4 4 3 59.85 6.52 4 4 3 58.34 6.24 4 -4 -3 49.50 6.17 4 4 4 43.29 5.67 4 4 4 40.49 5.40 4 -4 -4 52.84 5.98 4 4 5 161.55 11.99 4 4 5 166.97 11.52 4 -4 -5 173.85 11.63 4 -4 -5 175.75 13.17 4 4 6 3.35 2.91 4 -4 -6 -1.43 2.60 4 4 6 0.38 2.75 4 -4 -6 2.26 3.11 4 4 7 120.51 10.02 4 -4 -7 120.57 8.79 4 4 7 125.87 9.15 4 -4 -7 123.60 10.74 4 4 8 52.00 6.48 4 4 8 45.86 5.11 4 -4 -8 48.50 6.79 4 4 9 55.63 5.34 4 -4 -9 46.29 6.62 4 4 10 307.27 16.86 4 -4 -10 342.29 20.06 4 4 11 5.54 3.16 4 4 11 2.99 1.57 4 -4 -11 0.53 2.88 4 4 12 87.58 7.95 4 -4 -12 82.51 8.34 4 4 13 83.78 7.66 4 -4 -13 91.86 8.56 4 4 14 10.85 3.14 4 -4 -14 16.77 4.13 4 4 15 113.32 8.26 4 -4 -15 102.43 8.76 4 4 16 130.48 8.52 4 -4 -16 119.12 9.12 4 4 17 155.75 8.84 4 -4 -17 127.65 9.37 4 4 18 24.65 2.69 4 5 -16 165.64 10.57 4 5 -15 99.45 7.90 4 5 -14 58.44 6.15 4 -5 13 11.75 3.61 4 5 -13 7.67 2.83 4 -5 12 4.42 3.36 4 5 -12 4.56 3.08 4 -5 11 4.20 3.09 4 5 -11 1.92 2.70 4 5 -10 14.98 3.91 4 5 -9 39.97 5.88 4 -5 8 98.96 9.76 4 5 -8 111.80 9.64 4 -5 7 252.85 16.83 4 5 -7 230.28 15.70 4 -5 6 103.86 9.72 4 5 -6 96.42 9.06 4 -5 5 686.91 35.95 4 5 -5 650.78 34.87 4 5 -1 8.99 2.65 4 5 0 715.97 36.23 4 5 0 758.27 36.83 4 5 1 12.69 3.39 4 5 1 16.32 3.48 4 5 2 25.50 4.33 4 5 2 32.65 4.53 4 5 3 84.13 8.15 4 5 3 108.68 8.22 4 -5 -3 101.66 8.45 4 5 4 134.37 10.43 4 5 4 142.41 9.81 4 -5 -4 125.77 9.74 4 5 5 645.31 33.61 4 5 5 661.38 32.36 4 -5 -5 622.56 32.37 4 -5 -5 675.57 34.45 4 5 6 106.67 9.23 4 5 6 104.72 8.08 4 -5 -6 111.81 8.29 4 -5 -6 106.79 9.46 4 5 7 212.13 14.52 4 5 7 215.72 12.99 4 -5 -7 238.92 15.44 4 5 8 111.10 9.31 4 5 8 101.68 7.52 4 -5 -8 104.17 9.39 4 5 9 33.42 3.84 4 -5 -9 32.47 5.29 4 -5 -10 4.44 3.26 4 5 11 4.51 3.12 4 -5 -11 3.81 2.85 4 5 12 2.98 2.84 4 -5 -12 0.45 2.45 4 5 13 10.66 3.39 4 -5 -13 8.91 3.36 4 5 14 52.98 5.67 4 -5 -14 48.39 5.67 4 5 15 121.29 8.24 4 -5 -15 99.08 8.13 4 5 16 210.24 11.40 4 -5 -16 170.39 11.36 4 5 17 66.99 5.05 4 5 18 2.01 1.10 4 6 -15 64.82 5.58 4 6 -14 64.66 5.97 4 -6 13 86.41 7.76 4 6 -13 74.49 6.90 4 -6 12 116.13 9.97 4 6 -12 135.05 9.65 4 6 -11 194.11 12.92 4 6 -10 4.37 2.58 4 -6 9 3.93 3.79 4 6 -9 1.81 2.31 4 -6 8 20.16 4.73 4 6 -8 19.84 4.17 4 -6 7 37.34 6.14 4 6 -7 46.84 5.89 4 -6 6 158.82 12.58 4 -6 5 187.29 13.96 4 -6 4 221.11 15.61 4 6 -1 163.36 10.80 4 6 0 1.89 2.19 4 -6 0 -0.56 3.11 4 6 1 217.04 13.69 4 -6 -1 208.24 14.90 4 6 2 152.65 11.34 4 -6 -2 174.64 12.92 4 6 3 50.36 6.06 4 -6 -3 54.62 5.99 4 -6 -3 56.16 6.89 4 6 4 204.20 13.73 4 -6 -4 203.15 12.90 4 6 5 189.87 12.71 4 -6 -5 163.22 11.09 4 6 6 140.93 10.81 4 6 7 65.49 6.95 4 -6 -7 55.72 6.51 4 6 8 16.58 4.31 4 -6 -8 11.25 3.26 4 -6 -9 2.18 2.45 4 -6 -10 5.05 2.68 4 6 11 223.67 13.80 4 -6 -11 189.17 12.92 4 6 12 168.62 10.86 4 -6 -12 118.13 9.59 4 6 13 77.94 6.76 4 -6 -13 57.27 5.92 4 6 14 89.47 7.04 4 -6 -14 73.20 6.47 4 6 15 68.49 5.81 4 6 16 143.83 8.83 4 6 17 30.14 3.12 4 6 18 40.35 3.05 4 -7 13 64.01 6.53 4 7 -12 8.87 2.19 4 7 -11 11.04 2.70 4 -7 10 199.43 14.00 4 7 -10 197.36 12.50 4 -7 9 40.15 6.15 4 -7 8 81.63 8.45 4 -7 7 26.14 5.57 4 -7 6 120.66 10.61 4 -7 5 137.29 11.39 4 -7 4 383.35 23.17 4 -7 4 395.88 22.97 4 -7 3 75.33 8.11 4 7 -1 395.52 20.93 4 7 0 -0.37 1.91 4 -7 0 0.56 2.99 4 7 1 438.42 23.82 4 -7 -1 457.93 25.84 4 7 2 111.52 9.00 4 -7 -2 107.16 9.88 4 7 3 63.22 6.75 4 -7 -3 64.64 6.23 4 -7 -3 60.57 7.30 4 7 4 353.68 20.48 4 -7 -4 360.54 21.53 4 7 5 87.10 8.15 4 7 6 99.41 8.75 4 7 7 30.67 4.92 4 7 8 67.21 7.13 4 7 9 49.35 6.07 4 7 11 8.91 3.34 4 7 12 22.97 4.08 4 7 13 67.79 6.26 4 7 14 52.07 5.17 4 7 15 64.49 5.47 4 7 16 33.65 3.54 4 7 17 22.94 2.50 4 -8 11 163.30 11.79 4 -8 10 123.52 10.12 4 -8 9 46.35 6.39 4 -8 8 328.86 20.05 4 -8 7 210.17 14.71 4 -8 6 172.66 12.97 4 -8 5 52.56 6.82 4 -8 5 45.88 6.20 4 -8 4 5.91 3.41 4 -8 4 5.15 2.99 4 -8 3 29.23 5.08 4 8 0 32.19 4.24 4 -8 0 27.27 5.05 4 8 1 23.91 4.03 4 -8 -1 39.30 5.75 4 8 2 345.56 20.10 4 -8 -2 392.73 22.15 4 8 3 31.31 4.89 4 -8 -3 42.75 5.78 4 8 4 5.23 2.99 4 -8 -4 6.22 3.34 4 8 5 35.40 5.38 4 -8 -5 50.35 6.19 4 8 6 182.87 12.59 4 8 7 178.22 12.35 4 8 8 337.96 19.44 4 8 9 52.22 6.05 4 8 12 15.65 3.39 4 8 13 41.68 4.70 4 8 14 24.91 3.49 4 8 15 74.82 5.60 4 8 16 37.26 3.40 4 8 17 87.51 5.11 4 -9 12 210.95 13.13 4 -9 11 61.97 6.50 4 -9 10 110.30 9.11 4 -9 9 103.69 9.03 4 -9 8 125.17 10.22 4 -9 7 34.46 5.51 4 -9 6 156.17 11.91 4 -9 5 93.92 8.84 4 -9 5 82.43 8.07 4 -9 4 0.49 2.73 4 -9 3 3.55 3.08 4 9 0 2.52 1.89 4 -9 0 2.15 3.31 4 9 1 11.15 2.87 4 -9 -1 8.56 3.76 4 9 2 121.93 9.03 4 -9 -2 115.98 10.18 4 9 3 6.28 2.79 4 -9 -3 6.68 3.22 4 9 4 0.81 2.31 4 -9 -4 2.47 2.91 4 9 5 91.88 8.05 4 -9 -5 102.83 8.95 4 9 6 143.52 10.41 4 9 7 41.63 5.33 4 9 8 101.73 8.36 4 9 9 121.05 9.15 4 9 12 205.53 12.22 4 9 13 19.15 3.16 4 9 14 49.28 4.46 4 9 15 21.96 2.64 4 9 16 6.31 1.34 4 -10 12 135.34 9.13 4 -10 11 36.13 4.67 4 -10 10 54.20 5.88 4 -10 9 13.90 3.53 4 -10 8 278.11 16.68 4 -10 7 6.89 3.18 4 -10 6 145.41 10.82 4 -10 5 26.60 4.54 4 -10 4 59.10 6.56 4 -10 3 57.29 6.64 4 10 0 10.30 2.30 4 -10 0 17.06 4.34 4 10 1 17.71 3.23 4 -10 -1 16.01 4.20 4 -10 -2 337.79 20.20 4 10 3 61.46 5.94 4 -10 -3 57.86 6.77 4 10 4 64.55 6.14 4 -10 -4 59.99 6.71 4 10 5 29.26 4.37 4 -10 -5 31.61 4.93 4 10 6 129.80 9.37 4 10 7 4.65 2.56 4 10 8 281.51 16.12 4 10 9 15.07 3.35 4 10 12 126.01 8.15 4 10 13 39.87 3.90 4 10 14 458.37 21.94 4 10 15 24.45 2.34 4 -11 5 29.98 4.36 4 -11 4 4.36 2.61 4 -11 3 28.40 4.70 4 -11 0 82.61 7.83 4 11 1 0.75 1.16 4 -11 -1 38.68 5.26 4 11 2 9.64 2.48 4 -11 -2 9.27 3.56 4 11 3 21.16 3.38 4 -11 -3 27.79 4.67 4 11 4 1.83 2.01 4 -11 -4 3.67 2.68 4 11 5 32.87 4.20 4 -11 -5 40.84 5.05 4 11 6 38.64 4.42 4 11 7 55.29 5.35 4 11 8 116.43 8.09 4 11 9 170.01 10.36 4 11 10 4.27 2.03 4 11 12 87.98 5.93 4 11 13 88.67 5.62 4 -12 4 40.61 4.76 4 -12 3 8.13 2.83 4 -12 0 112.42 8.87 4 12 1 0.18 0.26 4 -12 -1 72.59 6.20 4 12 2 -0.41 0.89 4 -12 -2 256.08 10.67 4 12 3 5.90 1.89 4 -12 -3 5.81 2.89 4 12 4 37.32 3.96 4 -12 -4 45.70 5.03 4 12 5 18.35 2.92 4 12 6 36.32 3.95 4 12 7 18.71 2.79 4 12 8 158.32 9.41 4 12 9 13.40 2.38 4 12 10 133.49 7.93 4 -13 2 8.84 2.61 4 -13 0 2.47 2.23 4 -13 -1 34.79 4.28 4 -13 -2 5.12 2.36 4 13 3 -0.15 0.51 4 13 4 0.32 0.89 4 13 5 212.74 11.25 4 13 6 117.30 7.02 4 13 7 7.37 1.68 4 13 8 3.66 1.37 4 13 9 94.34 5.64 5 0 0 5.23 2.75 5 0 -1 6.78 2.97 5 0 1 5.31 2.96 5 0 -2 29.54 4.05 5 0 2 31.09 4.30 5 0 3 29.13 3.82 5 0 4 2.29 1.88 5 0 5 11.36 2.68 5 0 5 6.81 2.89 5 0 6 34.18 4.43 5 0 6 32.12 4.10 5 0 7 13.52 2.80 5 0 7 10.75 2.85 5 0 8 480.45 24.62 5 0 8 502.52 24.67 5 0 9 70.48 5.88 5 0 9 87.19 6.34 5 0 10 95.61 6.69 5 0 10 106.56 7.18 5 0 11 63.25 4.74 5 0 12 0.13 0.65 5 -1 12 6.37 1.66 5 -1 11 149.53 8.80 5 -1 10 10.81 2.43 5 -1 9 112.61 7.98 5 -1 9 120.25 7.94 5 -1 8 76.42 6.55 5 -1 8 84.77 6.45 5 -1 7 17.47 3.02 5 -1 7 18.45 3.59 5 -1 6 43.71 5.28 5 -1 6 63.92 5.44 5 -1 5 184.10 11.22 5 -1 3 81.65 7.26 5 -1 2 25.30 4.27 5 1 -1 822.00 38.03 5 -1 1 739.39 37.96 5 1 0 74.83 6.51 5 -1 0 67.85 6.54 5 1 1 757.85 36.52 5 -1 -1 739.88 36.47 5 1 2 21.64 3.27 5 -1 -2 33.10 4.28 5 -1 -3 82.22 6.65 5 1 3 71.35 6.05 5 1 4 399.19 21.04 5 1 4 391.81 20.47 5 1 5 179.00 11.29 5 1 5 176.86 10.98 5 1 6 60.05 5.59 5 1 6 56.13 5.37 5 1 7 14.35 2.88 5 1 7 13.70 2.93 5 1 8 88.59 6.84 5 1 8 107.21 7.31 5 1 9 129.39 8.10 5 1 9 122.66 8.39 5 1 10 8.10 2.36 5 1 10 8.77 1.92 5 1 11 101.21 6.12 5 1 13 7.73 1.93 5 -2 13 13.18 1.66 5 -2 12 136.04 7.85 5 -2 11 29.13 3.42 5 -2 10 30.92 3.78 5 -2 9 29.73 3.90 5 -2 8 33.43 4.22 5 -2 7 2.98 2.53 5 -2 4 243.64 14.69 5 -2 3 127.32 9.34 5 -2 2 34.73 4.76 5 -2 1 4.00 2.74 5 2 0 3.92 2.38 5 -2 0 2.47 2.73 5 2 1 0.88 0.89 5 -2 -1 4.07 2.42 5 2 2 22.59 3.03 5 -2 -2 21.00 3.65 5 -2 -3 143.32 9.20 5 2 3 136.46 9.21 5 2 3 120.75 8.55 5 -2 -4 258.43 14.48 5 2 4 264.81 14.78 5 2 4 252.71 14.36 5 2 5 93.08 7.29 5 2 5 105.91 7.53 5 2 6 1.18 1.99 5 2 6 5.81 2.31 5 2 7 2.33 1.92 5 2 7 3.08 1.89 5 2 8 33.54 3.67 5 2 8 33.11 4.07 5 2 9 26.87 3.62 5 2 9 31.12 3.25 5 2 10 30.43 3.03 5 2 10 34.03 3.87 5 2 13 19.24 2.48 5 -3 13 2.46 1.08 5 -3 12 84.18 5.62 5 -3 11 99.30 6.68 5 -3 10 45.94 4.48 5 -3 9 3.68 2.19 5 -3 5 139.52 9.84 5 -3 4 30.53 4.46 5 -3 3 9.15 3.15 5 -3 2 145.87 10.16 5 -3 1 9.29 3.09 5 -3 0 221.71 13.52 5 3 1 0.21 0.65 5 -3 -1 4.95 2.52 5 -3 -2 150.42 9.23 5 3 2 112.70 7.91 5 3 3 6.80 2.19 5 -3 -3 9.46 2.43 5 3 4 23.29 3.44 5 3 4 25.69 3.71 5 -3 -4 27.43 3.57 5 3 5 134.13 8.60 5 3 5 122.95 8.58 5 3 6 102.33 7.18 5 3 6 110.70 7.77 5 3 7 40.25 4.36 5 3 8 17.96 3.08 5 3 9 10.25 2.47 5 3 10 35.15 3.86 5 3 11 105.57 6.99 5 3 13 5.03 1.54 5 3 14 36.84 2.94 5 -4 13 24.42 2.31 5 -4 12 23.19 2.66 5 -4 11 28.37 3.33 5 -4 10 12.00 2.71 5 -4 7 7.04 2.86 5 -4 6 88.41 7.27 5 -4 5 53.89 5.62 5 -4 4 22.84 4.08 5 -4 3 36.04 4.74 5 -4 2 14.00 3.53 5 -4 1 62.05 6.06 5 -4 0 54.28 5.51 5 -4 -1 49.41 5.13 5 4 2 0.44 0.92 5 -4 -2 21.35 3.28 5 -4 -3 32.96 3.96 5 4 3 37.09 3.87 5 -4 -4 35.20 3.73 5 4 4 30.51 3.78 5 4 5 46.13 4.60 5 4 6 86.07 6.63 5 4 7 11.14 2.61 5 4 8 139.28 8.90 5 4 9 5.22 2.07 5 4 10 10.81 2.33 5 4 11 39.58 3.81 5 4 14 8.89 1.39 5 -5 12 7.48 1.65 5 -5 11 73.87 5.35 5 -5 8 12.17 2.82 5 -5 7 2.12 2.19 5 -5 6 72.72 6.34 5 -5 5 22.54 3.81 5 -5 4 54.13 5.48 5 -5 3 121.31 8.77 5 -5 2 1.64 2.42 5 -5 1 -0.32 2.23 5 -5 0 10.30 2.84 5 -5 -1 1.42 2.07 5 5 2 0.20 0.58 5 -5 -2 1.55 1.96 5 -5 -3 119.92 6.33 5 5 3 35.40 4.14 5 5 4 44.62 4.40 5 -5 -4 49.17 4.24 5 5 5 23.87 3.27 5 5 6 64.33 5.45 5 5 7 4.03 1.95 5 5 8 9.94 2.35 5 5 9 67.61 5.28 5 5 10 169.17 9.73 5 5 11 79.59 5.53 5 -6 12 7.95 1.56 5 -6 9 37.46 3.97 5 -6 8 7.48 2.35 5 -6 7 99.90 7.29 5 -6 6 19.47 3.46 5 -6 5 38.35 4.59 5 -6 4 14.87 3.21 5 -6 3 1.21 2.14 5 -6 2 39.78 4.50 5 -6 1 6.57 2.52 5 -6 0 -1.08 2.06 5 -6 -1 8.35 2.27 5 -6 -2 42.02 4.09 5 6 3 0.19 0.74 5 -6 -3 3.60 1.74 5 6 4 15.77 2.47 5 6 5 35.83 3.76 5 6 6 11.36 2.33 5 6 7 104.23 6.98 5 6 8 5.60 1.92 5 6 9 35.84 3.60 5 6 10 2.71 1.51 5 6 11 8.45 1.71 5 6 12 13.84 1.80 5 -7 10 40.07 3.55 5 -7 9 41.56 3.88 5 -7 8 59.92 4.99 5 -7 7 49.59 4.63 5 -7 6 51.48 4.84 5 -7 5 56.79 5.11 5 -7 4 5.83 2.42 5 -7 3 7.88 2.50 5 -7 2 2.80 1.93 5 -7 1 147.59 9.09 5 -7 0 55.27 4.75 5 -7 -1 130.80 7.95 5 -7 -2 2.83 1.44 5 7 3 -0.15 0.01 5 7 4 0.17 0.64 5 7 5 37.97 3.52 5 7 6 61.62 4.73 5 7 7 43.61 3.81 5 7 8 62.57 4.62 5 7 9 39.41 3.41 5 7 10 41.02 3.33 5 7 11 4.93 1.19 5 -8 10 29.93 2.61 5 -8 9 18.68 2.31 5 -8 8 22.61 2.67 5 -8 7 90.20 6.09 5 -8 6 30.82 3.42 5 -8 5 25.28 3.15 5 -8 4 109.53 7.16 5 -8 3 58.87 4.76 5 -8 2 9.76 2.12 5 -8 1 101.14 6.51 5 -8 0 8.95 1.83 5 8 4 0.12 0.27 5 8 5 -0.13 0.41 5 8 6 8.08 1.43 5 8 7 77.12 4.94 5 8 8 24.96 2.47 5 8 9 22.52 2.15 5 -9 7 25.77 2.48 5 -9 6 70.54 4.69 5 -9 5 28.09 2.78 5 -9 4 13.28 1.98 5 -9 3 0.56 1.12 5 -9 2 8.78 1.54 0 0 0 0.00 0.00 TITL exp_8443 in P2(1)2(1)2(1) REM P2(1)2(1)2(1) (#19 in standard setting) CELL 1.54184 4.704016 15.851214 22.256938 90.0000 90.0000 90.0000 ZERR 7.00 0.000090 0.000295 0.000405 0.0000 0.0000 0.0000 LATT -1 SYMM -x+1/2,-y, z+1/2 SYMM -x, y+1/2,-z+1/2 SYMM x+1/2,-y+1/2,-z SFAC C H N O UNIT 77.00 70.00 7.00 7.00 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 7455 _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z' 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 S001 S 0.5541(2) 0.27257(6) 0.65339(5) 0.0218(3) Uani 1 1 d . . . . . O002 O 0.4737(6) 0.50718(18) 0.73553(12) 0.0198(6) Uani 1 1 d . . . . . O003 O 0.2367(7) 0.60904(19) 0.62689(13) 0.0249(7) Uani 1 1 d . . . . . N004 N 0.0481(8) 0.4488(2) 0.71354(15) 0.0193(7) Uani 1 1 d . . . . . H004 H -0.1325 0.4554 0.7097 0.023 Uiso 1 1 calc R . . . . N005 N 0.3405(8) 0.4183(2) 0.61241(15) 0.0233(8) Uani 1 1 d . . . . . H005 H 0.2223 0.4591 0.6172 0.028 Uiso 1 1 calc R . . . . N006 N 0.2248(8) 0.6672(2) 0.71954(15) 0.0202(7) Uani 1 1 d . . . . . H006 H 0.2714 0.7081 0.7429 0.024 Uiso 1 1 calc R . . . . N007 N 0.1719(8) 0.3705(2) 0.70285(15) 0.0195(7) Uani 1 1 d . . . . . H007 H 0.1375 0.3292 0.7268 0.023 Uiso 1 1 calc R . . . . C008 C 0.3466(9) 0.3587(2) 0.65502(18) 0.0180(8) Uani 1 1 d . . . . . C009 C 0.2160(8) 0.5145(3) 0.73006(18) 0.0178(8) Uani 1 1 d . . . . . C00A C 0.3061(9) 0.6671(2) 0.66060(19) 0.0195(8) Uani 1 1 d . . . . . C00B C 0.0576(9) 0.5965(2) 0.74196(18) 0.0183(8) Uani 1 1 d . . . . . H00B H -0.1260 0.5951 0.7212 0.022 Uiso 1 1 calc R . . . . C00C C 0.0074(10) 0.6047(3) 0.80938(19) 0.0246(9) Uani 1 1 d . . . . . H00A H 0.1863 0.6023 0.8301 0.037 Uiso 1 1 calc GR . . . . H00C H -0.1118 0.5593 0.8228 0.037 Uiso 1 1 calc GR . . . . H00D H -0.0838 0.6576 0.8177 0.037 Uiso 1 1 calc GR . . . . C00D C 0.8036(10) 0.8733(3) 0.5954(2) 0.0279(10) Uani 1 1 d . . . . . H00E H 0.9119 0.9177 0.5804 0.033 Uiso 1 1 calc R . . . . C00E C 0.5134(10) 0.4198(3) 0.55984(18) 0.0222(9) Uani 1 1 d . . . . . C00F C 0.4782(9) 0.7405(2) 0.64018(17) 0.0192(8) Uani 1 1 d . . . . . C00G C 0.6588(10) 0.7283(3) 0.59065(19) 0.0255(9) Uani 1 1 d . . . . . H00G H 0.6681 0.6759 0.5720 0.031 Uiso 1 1 calc R . . . . C00H C 0.7060(10) 0.4855(3) 0.5532(2) 0.0263(10) Uani 1 1 d . . . . . H00H H 0.7264 0.5257 0.5834 0.032 Uiso 1 1 calc R . . . . C00I C 0.8226(10) 0.7945(3) 0.5697(2) 0.0297(10) Uani 1 1 d . . . . . H00I H 0.9471 0.7857 0.5379 0.036 Uiso 1 1 calc R . . . . C00J C 0.6229(10) 0.8864(3) 0.6437(2) 0.0277(10) Uani 1 1 d . . . . . H00J H 0.6094 0.9396 0.6610 0.033 Uiso 1 1 calc R . . . . C00K C 0.4827(12) 0.3583(3) 0.51545(19) 0.0298(11) Uani 1 1 d . . . . . H00K H 0.3535 0.3144 0.5201 0.036 Uiso 1 1 calc R . . . . C00L C 0.6493(12) 0.3643(3) 0.4644(2) 0.0348(12) Uani 1 1 d . . . . . H00L H 0.6320 0.3237 0.4344 0.042 Uiso 1 1 calc R . . . . C00M C 0.4625(10) 0.8203(3) 0.66611(18) 0.0226(9) Uani 1 1 d . . . . . H00M H 0.3432 0.8293 0.6988 0.027 Uiso 1 1 calc R . . . . C00N C 0.8402(12) 0.4293(4) 0.4572(2) 0.0380(12) Uani 1 1 d . . . . . H00N H 0.9511 0.4321 0.4227 0.046 Uiso 1 1 calc R . . . . C00O C 0.8679(11) 0.4906(3) 0.5011(2) 0.0333(11) Uani 1 1 d . . . . . H00O H 0.9946 0.5350 0.4958 0.040 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 S001 0.0225(5) 0.0203(4) 0.0225(5) 0.0005(4) -0.0001(4) 0.0044(4) O002 0.0124(14) 0.0254(14) 0.0216(14) 0.0019(11) 0.0007(11) -0.0003(12) O003 0.0291(16) 0.0245(15) 0.0210(14) -0.0011(12) -0.0013(12) 0.0012(14) N004 0.0139(15) 0.0204(15) 0.0237(17) -0.0010(13) -0.0013(14) -0.0010(14) N005 0.0284(19) 0.0242(17) 0.0174(16) 0.0027(14) -0.0018(15) 0.0070(16) N006 0.0237(18) 0.0196(16) 0.0172(16) -0.0007(13) 0.0008(14) -0.0043(15) N007 0.0206(17) 0.0186(15) 0.0195(16) 0.0026(13) 0.0018(14) -0.0025(14) C008 0.0159(18) 0.0207(17) 0.0174(18) -0.0027(16) -0.0039(16) -0.0061(15) C009 0.016(2) 0.022(2) 0.0149(18) -0.0033(15) 0.0016(15) -0.0031(16) C00A 0.018(2) 0.0184(18) 0.022(2) -0.0002(16) -0.0051(16) 0.0044(16) C00B 0.0135(17) 0.0194(18) 0.0220(19) -0.0033(15) 0.0021(16) -0.0052(17) C00C 0.027(2) 0.0197(18) 0.028(2) -0.0017(16) 0.0047(18) -0.0041(18) C00D 0.026(2) 0.030(2) 0.027(2) 0.0085(19) -0.0035(18) -0.009(2) C00E 0.026(2) 0.0220(19) 0.0190(19) 0.0012(15) 0.0005(17) 0.0058(17) C00F 0.0176(19) 0.0219(18) 0.0181(19) 0.0022(15) -0.0020(16) 0.0040(17) C00G 0.028(2) 0.028(2) 0.021(2) 0.0021(18) 0.0015(17) 0.003(2) C00H 0.025(2) 0.027(2) 0.027(2) 0.0016(18) -0.0005(18) 0.0043(19) C00I 0.025(2) 0.038(3) 0.026(2) 0.011(2) 0.0032(19) 0.003(2) C00J 0.032(3) 0.025(2) 0.026(2) 0.0020(18) -0.0078(19) -0.0025(19) C00K 0.039(3) 0.026(2) 0.024(2) -0.0008(17) -0.006(2) 0.006(2) C00L 0.049(3) 0.038(3) 0.017(2) -0.0033(19) 0.003(2) 0.022(2) C00M 0.024(2) 0.0239(19) 0.0201(19) -0.0022(15) -0.0018(17) 0.0004(18) C00N 0.036(3) 0.051(3) 0.027(2) 0.012(2) 0.014(2) 0.019(3) C00O 0.025(2) 0.046(3) 0.029(2) 0.012(2) 0.005(2) 0.004(2) 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' S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag N007 N004 H004 120.4 . . ? C009 N004 H004 120.4 . . ? C009 N004 N007 119.1(3) . . ? C008 N005 H005 117.2 . . ? C008 N005 C00E 125.5(4) . . ? C00E N005 H005 117.2 . . ? C00A N006 H006 120.7 . . ? C00A N006 C00B 118.7(3) . . ? C00B N006 H006 120.7 . . ? N004 N007 H007 119.6 . . ? C008 N007 N004 120.7(3) . . ? C008 N007 H007 119.6 . . ? N005 C008 S001 124.8(3) . . ? N005 C008 N007 116.4(4) . . ? N007 C008 S001 118.8(3) . . ? O002 C009 N004 122.0(4) . . ? O002 C009 C00B 123.3(4) . . ? N004 C009 C00B 114.7(3) . . ? O003 C00A N006 120.7(4) . . ? O003 C00A C00F 122.8(4) . . ? N006 C00A C00F 116.4(3) . . ? N006 C00B C009 109.4(3) . . ? N006 C00B H00B 109.3 . . ? N006 C00B C00C 110.8(3) . . ? C009 C00B H00B 109.3 . . ? C009 C00B C00C 108.7(3) . . ? C00C C00B H00B 109.3 . . ? C00B C00C H00A 109.5 . . ? C00B C00C H00C 109.5 . . ? C00B C00C H00D 109.5 . . ? H00A C00C H00C 109.5 . . ? H00A C00C H00D 109.5 . . ? H00C C00C H00D 109.5 . . ? C00I C00D H00E 120.1 . . ? C00I C00D C00J 119.8(4) . . ? C00J C00D H00E 120.1 . . ? C00H C00E N005 118.1(4) . . ? C00H C00E C00K 121.1(4) . . ? C00K C00E N005 120.7(4) . . ? C00G C00F C00A 117.4(4) . . ? C00M C00F C00A 123.7(4) . . ? C00M C00F C00G 118.9(4) . . ? C00F C00G H00G 120.1 . . ? C00I C00G C00F 119.7(4) . . ? C00I C00G H00G 120.1 . . ? C00E C00H H00H 120.4 . . ? C00E C00H C00O 119.3(4) . . ? C00O C00H H00H 120.4 . . ? C00D C00I C00G 120.9(4) . . ? C00D C00I H00I 119.6 . . ? C00G C00I H00I 119.6 . . ? C00D C00J H00J 119.9 . . ? C00M C00J C00D 120.1(4) . . ? C00M C00J H00J 119.9 . . ? C00E C00K H00K 120.8 . . ? C00L C00K C00E 118.4(5) . . ? C00L C00K H00K 120.8 . . ? C00K C00L H00L 119.5 . . ? C00N C00L C00K 121.1(5) . . ? C00N C00L H00L 119.5 . . ? C00F C00M H00M 119.7 . . ? C00J C00M C00F 120.6(4) . . ? C00J C00M H00M 119.7 . . ? C00L C00N H00N 119.9 . . ? C00L C00N C00O 120.3(4) . . ? C00O C00N H00N 119.9 . . ? C00H C00O H00O 120.1 . . ? C00N C00O C00H 119.8(5) . . ? C00N C00O H00O 120.1 . . ? 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 S001 C008 1.679(4) . ? O002 C009 1.224(5) . ? O003 C00A 1.232(5) . ? N004 H004 0.8600 . ? N004 N007 1.391(5) . ? N004 C009 1.359(5) . ? N005 H005 0.8600 . ? N005 C008 1.339(5) . ? N005 C00E 1.425(5) . ? N006 H006 0.8600 . ? N006 C00A 1.366(5) . ? N006 C00B 1.457(5) . ? N007 H007 0.8600 . ? N007 C008 1.358(5) . ? C009 C00B 1.521(6) . ? C00A C00F 1.489(6) . ? C00B H00B 0.9800 . ? C00B C00C 1.525(6) . ? C00C H00A 0.9600 . ? C00C H00C 0.9600 . ? C00C H00D 0.9600 . ? C00D H00E 0.9300 . ? C00D C00I 1.377(7) . ? C00D C00J 1.385(7) . ? C00E C00H 1.389(6) . ? C00E C00K 1.395(6) . ? C00F C00G 1.405(6) . ? C00F C00M 1.392(6) . ? C00G H00G 0.9300 . ? C00G C00I 1.383(7) . ? C00H H00H 0.9300 . ? C00H C00O 1.389(7) . ? C00I H00I 0.9300 . ? C00J H00J 0.9300 . ? C00J C00M 1.384(6) . ? C00K H00K 0.9300 . ? C00K C00L 1.383(7) . ? C00L H00L 0.9300 . ? C00L C00N 1.376(8) . ? C00M H00M 0.9300 . ? C00N H00N 0.9300 . ? C00N C00O 1.385(8) . ? C00O H00O 0.9300 . ?