#------------------------------------------------------------------------------ #$Date: 2020-03-05 11:42:52 +0200 (Thu, 05 Mar 2020) $ #$Revision: 249077 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/74/1557481.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_1557481 loop_ _publ_author_name 'Ranjan, Subham' 'Devarapalli, Ramesh' 'Kundu, Sudeshna' 'Saha, Subhankar' 'Deolka, Shubham' 'Vangala, Venu R.' 'Reddy, C. Malla' _publ_section_title ; Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid ; _journal_coeditor_code ED5019 _journal_issue 2 _journal_name_full IUCrJ _journal_page_first 173 _journal_page_last 183 _journal_paper_doi 10.1107/S205225251901604X _journal_volume 7 _journal_year 2020 _chemical_formula_moiety 'C14 H11 Cl N O2, C7 H11 N2' _chemical_formula_sum 'C21 H22 Cl N3 O2' _chemical_formula_weight 383.86 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary dual _audit_creation_date 2019-10-09 _audit_creation_method ; Olex2 1.3 (compiled 2019.09.11 svn.r3662 for OlexSys, GUI svn.r5938) ; _cell_angle_alpha 87.768(4) _cell_angle_beta 76.928(5) _cell_angle_gamma 76.025(5) _cell_formula_units_Z 2 _cell_length_a 7.9299(5) _cell_length_b 9.3219(4) _cell_length_c 13.5862(9) _cell_measurement_reflns_used 2867 _cell_measurement_temperature 290.80(10) _cell_measurement_theta_max 26.2780 _cell_measurement_theta_min 2.2390 _cell_volume 949.20(10) _computing_cell_refinement 'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)' _computing_data_collection 'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)' _computing_data_reduction 'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)' _computing_molecular_graphics 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT 2014/4 (Sheldrick, 2014)' _diffrn_ambient_environment air _diffrn_ambient_temperature 290.80(10) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 7.9580 _diffrn_detector_type Eos _diffrn_measured_fraction_theta_full 0.994 _diffrn_measured_fraction_theta_max 0.993 _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 -53.00 -27.00 1.00 4.11 -- 0.70 38.00-180.00 26 2 \w 50.00 83.00 1.00 4.11 -- 0.70 38.00-180.00 33 3 \w -100.00 -75.00 1.00 4.11 -- 0.70 178.00 60.00 25 4 \w -5.00 21.00 1.00 4.11 -- 0.70 38.00-180.00 26 5 \w -20.00 5.00 1.00 25.00 -- -29.42 -99.00 0.00 25 6 \w -111.00 -75.00 1.00 25.00 -- -29.42 178.00-180.00 36 7 \w -120.00 -60.00 1.00 25.00 -- -29.42 178.00 -30.00 60 8 \w -50.00 62.00 1.00 25.00 -- 30.82 -38.00 60.00 112 9 \w 72.00 107.00 1.00 25.00 -- 30.82 178.00 -60.00 35 10 \w -56.00 71.00 1.00 25.00 -- 30.82 -38.00-180.00 127 11 \w -49.00 71.00 1.00 25.00 -- 30.82 -38.00 -60.00 120 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'SuperNova, Dual, Cu at zero, Eos' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 0.0898718000 _diffrn_orient_matrix_UB_12 -0.0132888000 _diffrn_orient_matrix_UB_13 -0.0274577000 _diffrn_orient_matrix_UB_21 -0.0258190000 _diffrn_orient_matrix_UB_22 -0.0186290000 _diffrn_orient_matrix_UB_23 -0.0436053000 _diffrn_orient_matrix_UB_31 -0.0141259000 _diffrn_orient_matrix_UB_32 0.0750085000 _diffrn_orient_matrix_UB_33 -0.0147654000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0217 _diffrn_reflns_av_unetI/netI 0.0342 _diffrn_reflns_Laue_measured_fraction_full 0.994 _diffrn_reflns_Laue_measured_fraction_max 0.993 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_number 6616 _diffrn_reflns_point_group_measured_fraction_full 0.994 _diffrn_reflns_point_group_measured_fraction_max 0.993 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 26.368 _diffrn_reflns_theta_min 2.707 _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_source_type 'SuperNova (Mo) X-ray Source' _exptl_absorpt_coefficient_mu 0.223 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.79133 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour colourless _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.343 _exptl_crystal_description block _exptl_crystal_F_000 404 _exptl_crystal_size_max 0.32 _exptl_crystal_size_mid 0.15 _exptl_crystal_size_min 0.1 _refine_diff_density_max 0.163 _refine_diff_density_min -0.265 _refine_diff_density_rms 0.036 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.054 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 339 _refine_ls_number_reflns 3841 _refine_ls_number_restraints 3 _refine_ls_restrained_S_all 1.054 _refine_ls_R_factor_all 0.0783 _refine_ls_R_factor_gt 0.0567 _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^)+(0.0595P)^2^+0.3245P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1406 _refine_ls_wR_factor_ref 0.1544 _reflns_Friedel_coverage 0.000 _reflns_number_gt 2799 _reflns_number_total 3841 _reflns_threshold_expression 'I > 2\s(I)' _iucr_refine_instructions_details ; TITL tfa_dmap_1-1_a.res in P-1 tfa_dmap_1-1.res created by SHELXL-2018/3 at 22:20:12 on 09-Oct-2019 REM Old TITL tfa_dmap_1-1_a.res in P-1 REM SHELXT solution in P-1 REM R1 0.279, Rweak 0.040, Alpha 0.078, Orientation as input REM Formula found by SHELXT: C20 N3 O4 CELL 0.71073 7.9299 9.3219 13.5862 87.768 76.928 76.025 ZERR 2 0.0005 0.0004 0.0009 0.004 0.005 0.005 LATT 1 SFAC C H Cl N O UNIT 42 44 2 6 4 DFIX 0.87 N1 H1 N4 H4a DFIX 0.87 N3 H3a L.S. 4 PLAN 1 SIZE 0.1 0.15 0.32 TEMP -173(2) CONF BOND $H list 4 MORE -1 fmap 2 acta OMIT 0 -1 5 OMIT -6 -3 3 OMIT 3 6 9 OMIT 2 -2 4 OMIT 1 2 6 OMIT 1 2 4 OMIT 6 6 9 OMIT 0 4 5 OMIT -1 -2 1 OMIT -6 0 6 OMIT 6 3 0 OMIT 0 1 0 OMIT -2 -2 3 OMIT -2 0 6 REM REM REM WGHT 0.059500 0.324500 FVAR 0.83195 0.58327 PART 1 CL1 3 0.027259 0.371339 0.733268 21.00000 0.11270 0.08405 = 0.04266 -0.00554 -0.01087 0.01034 PART 0 O1 5 0.460451 0.531639 0.228083 11.00000 0.07166 0.04669 = 0.07384 0.02482 0.00749 0.00039 O2 5 0.705995 0.441574 0.114305 11.00000 0.08598 0.05860 = 0.05958 0.01770 0.01097 -0.01851 N3 4 0.385188 -0.217767 0.140908 11.00000 0.05470 0.03886 = 0.06011 0.01426 -0.00207 -0.00954 AFIX 2 H3A 2 0.422656 -0.308791 0.167508 11.00000 -1.20000 AFIX 0 N2 4 0.229077 0.206001 0.038970 11.00000 0.06046 0.03835 = 0.05029 0.00993 -0.00774 -0.01334 C15 1 0.277730 0.068752 0.072198 11.00000 0.04219 0.03735 = 0.04074 0.00509 0.00254 -0.01056 C2 1 0.625960 0.289396 0.251449 11.00000 0.04229 0.03868 = 0.03877 0.00376 -0.00660 -0.01091 C1 1 0.597698 0.431121 0.193081 11.00000 0.05439 0.04130 = 0.04235 0.00580 -0.00723 -0.01770 C3 1 0.784689 0.184910 0.220478 11.00000 0.04773 0.04881 = 0.04416 -0.00106 -0.00043 -0.01339 AFIX 43 H3 2 0.871720 0.206687 0.165224 11.00000 -1.20000 AFIX 0 C18 1 0.314840 -0.194497 0.059321 11.00000 0.05824 0.03925 = 0.06271 0.00101 -0.00603 -0.01730 AFIX 43 H18 2 0.302513 -0.276959 0.025015 11.00000 -1.20000 AFIX 0 C19 1 0.260541 -0.056831 0.024024 11.00000 0.05405 0.04587 = 0.05370 0.00647 -0.01160 -0.01747 AFIX 43 H19 2 0.210312 -0.044758 -0.033842 11.00000 -1.20000 AFIX 0 C16 1 0.354145 0.038682 0.157561 11.00000 0.07707 0.04670 = 0.04106 0.00302 -0.00792 -0.02192 AFIX 43 H16 2 0.370078 0.117819 0.193696 11.00000 -1.20000 AFIX 0 C7 1 0.498071 0.257070 0.333238 11.00000 0.04794 0.04748 = 0.05653 0.01914 0.00462 0.00396 C4 1 0.821464 0.050176 0.266803 11.00000 0.04790 0.04751 = 0.06080 0.00028 -0.00308 0.00465 AFIX 43 H4 2 0.932209 -0.019215 0.244356 11.00000 -1.20000 AFIX 0 C17 1 0.404772 -0.102128 0.188163 11.00000 0.07273 0.05489 = 0.04498 0.01262 -0.01142 -0.01873 AFIX 43 H17 2 0.456247 -0.119152 0.245540 11.00000 -1.20000 AFIX 0 C5 1 0.695134 0.018513 0.345767 11.00000 0.06280 0.04297 = 0.05873 0.01261 -0.00998 0.00259 AFIX 43 H5 2 0.718192 -0.074270 0.377908 11.00000 -1.20000 AFIX 0 C6 1 0.536556 0.118341 0.378964 11.00000 0.05544 0.05362 = 0.06403 0.02773 0.00830 0.00263 AFIX 43 H6 2 0.450726 0.093891 0.433796 11.00000 -1.20000 AFIX 0 C21 1 0.148013 0.239440 -0.047409 11.00000 0.06736 0.05863 = 0.07928 0.02562 -0.02551 -0.01736 AFIX 137 H21A 2 0.192496 0.155908 -0.095502 11.00000 -1.50000 H21B 2 0.178564 0.328096 -0.080305 11.00000 -1.50000 H21C 2 0.018205 0.256910 -0.024784 11.00000 -1.50000 AFIX 0 PART 1 N1 4 0.322517 0.338313 0.352152 21.00000 0.04273 0.04158 = 0.05720 0.01964 0.00381 0.00289 AFIX 2 H1 2 0.312303 0.421300 0.321334 21.00000 -1.20000 AFIX 0 PART 0 C20 1 0.240639 0.335669 0.092700 11.00000 0.11799 0.03942 = 0.06618 0.00329 -0.01124 -0.01919 AFIX 137 H20A 2 0.140689 0.359127 0.151658 11.00000 -1.50000 H20B 2 0.235668 0.420222 0.047361 11.00000 -1.50000 H20C 2 0.353280 0.314223 0.114950 11.00000 -1.50000 AFIX 0 PART 1 C9 1 0.057219 0.255016 0.414016 21.00000 0.05381 0.06885 = 0.05102 -0.00813 -0.00655 -0.01239 AFIX 43 H9 2 0.061531 0.229785 0.346266 21.00000 -1.20000 AFIX 0 C13 1 0.185951 0.351733 0.533824 21.00000 0.04325 0.03103 = 0.05057 0.00445 -0.01028 -0.00026 C12 1 0.043709 0.328262 0.608069 21.00000 0.05438 0.03522 = 0.03938 0.00427 -0.00659 0.00323 C14 1 0.332666 0.408983 0.557873 21.00000 0.06593 0.08106 = 0.09551 -0.00453 -0.02531 -0.02845 AFIX 137 H14A 2 0.283976 0.508582 0.587669 21.00000 -1.50000 H14B 2 0.422712 0.412592 0.495736 21.00000 -1.50000 H14C 2 0.387579 0.343341 0.605994 21.00000 -1.50000 AFIX 0 C11 1 -0.086751 0.269294 0.587293 21.00000 0.03747 0.05029 = 0.06987 0.00828 0.01259 -0.01603 AFIX 43 H11 2 -0.181610 0.254959 0.640581 21.00000 -1.20000 AFIX 0 C8 1 0.186959 0.314078 0.434434 21.00000 0.03751 0.03577 = 0.04395 0.00828 0.00014 0.00170 C10 1 -0.081632 0.231098 0.491040 21.00000 0.05432 0.08628 = 0.08475 -0.01432 -0.00194 -0.03174 AFIX 43 H10 2 -0.171175 0.188836 0.476554 21.00000 -1.20000 AFIX 0 PART 0 PART 2 N4 4 0.363089 0.377757 0.389498 -21.00000 0.05377 0.03550 = 0.05738 0.01857 0.01057 -0.00040 AFIX 2 H4A 2 0.329831 0.465046 0.365680 -21.00000 -1.20000 AFIX 0 C24 1 0.106926 0.292068 0.483563 -21.00000 0.06333 0.03566 = 0.04904 0.00359 -0.00611 0.00035 C27 1 0.143793 0.409298 0.662546 -21.00000 0.07764 0.07004 = 0.05742 -0.00527 -0.00624 -0.01912 AFIX 43 H27 2 0.158164 0.448031 0.722967 -21.00000 -1.20000 AFIX 0 C28 1 0.007911 0.344218 0.663602 -21.00000 0.05806 0.04942 = 0.04366 0.00417 0.00063 -0.00098 AFIX 43 H28 2 -0.076035 0.338424 0.724890 -21.00000 -1.20000 AFIX 0 C23 1 0.243137 0.360630 0.482636 -21.00000 0.05668 0.04166 = 0.04843 0.00831 0.00083 0.00199 C26 1 0.262002 0.418007 0.570578 -21.00000 0.05425 0.05672 = 0.08126 0.00379 -0.00766 -0.02070 AFIX 43 H26 2 0.357182 0.464246 0.568428 -21.00000 -1.20000 AFIX 0 C25 1 -0.006977 0.288590 0.578262 -21.00000 0.03482 0.04383 = 0.06087 0.01450 0.00076 -0.01333 CL2 3 -0.184371 0.201981 0.582502 -21.00000 0.07595 0.09723 = 0.09012 0.00410 0.00001 -0.03839 C22 1 0.084009 0.225221 0.389255 -21.00000 0.09329 0.08379 = 0.05650 -0.00570 -0.01117 -0.01517 AFIX 137 H22A 2 0.138254 0.274468 0.329651 -21.00000 -1.50000 H22B 2 -0.043310 0.238361 0.391789 -21.00000 -1.50000 H22C 2 0.142225 0.119499 0.385187 -21.00000 -1.50000 AFIX 0 HKLF 4 REM tfa_dmap_1-1_a.res in P-1 REM wR2 = 0.1544, GooF = S = 1.054, Restrained GooF = 1.054 for all data REM R1 = 0.0567 for 2799 Fo > 4sig(Fo) and 0.0783 for all 3841 data REM 339 parameters refined using 3 restraints END WGHT 0.0595 0.3245 REM Highest difference peak 0.163, deepest hole -0.265, 1-sigma level 0.036 Q1 1 0.5498 0.2322 0.3756 11.00000 0.05 0.16 REM The information below was added by Olex2. REM REM R1 = 0.0567 for 2799 Fo > 4sig(Fo) and 0.0783 for all 6644 data REM n/a parameters refined using n/a restraints REM Highest difference peak 0.16, deepest hole -0.26 REM Mean Shift 0, Max Shift 0.000. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.0783 REM R1_gt = 0.0567 REM wR_ref = 0.1544 REM GOOF = 1.054 REM Shift_max = 0.000 REM Shift_mean = 0 REM Reflections_all = 6644 REM Reflections_gt = 2799 REM Parameters = n/a REM Hole = -0.26 REM Peak = 0.16 REM Flack = n/a ; _cod_data_source_file ed5019.cif _cod_data_source_block tfa_dmap_1-1 _cod_database_code 1557481 _shelx_shelxl_version_number 2018/3 _chemical_oxdiff_formula 'C H N O Cl' _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. ; _shelx_estimated_absorpt_t_max 0.978 _shelx_estimated_absorpt_t_min 0.932 _reflns_odcompleteness_completeness 99.64 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 26.32 _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. Restrained distances N1-H1 = N4-H4A 0.87 with sigma of 0.02 N3-H3A 0.87 with sigma of 0.02 3. Others Sof(N4)=Sof(H4A)=Sof(C24)=Sof(C27)=Sof(H27)=Sof(C28)=Sof(H28)=Sof(C23)= Sof(C26)=Sof(H26)=Sof(C25)=Sof(Cl2)=Sof(C22)=Sof(H22A)=Sof(H22B)=Sof(H22C)=1- FVAR(1) Sof(Cl1)=Sof(N1)=Sof(H1)=Sof(C9)=Sof(H9)=Sof(C13)=Sof(C12)=Sof(C14)=Sof(H14A)= Sof(H14B)=Sof(H14C)=Sof(C11)=Sof(H11)=Sof(C8)=Sof(C10)=Sof(H10)=FVAR(1) 4.a Fixed occupancy and ADP/Uiso: H3A, H1, H4A 4.b Aromatic/amide H refined with riding coordinates: C3(H3), C18(H18), C19(H19), C16(H16), C4(H4), C17(H17), C5(H5), C6(H6), C9(H9), C11(H11), C10(H10), C27(H27), C28(H28), C26(H26) 4.c Idealised Me refined as rotating group: C21(H21A,H21B,H21C), C20(H20A,H20B,H20C), C14(H14A,H14B,H14C), C22(H22A,H22B, H22C) ; _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 ; _oxdiff_exptl_absorpt_empirical_full_max 1.338 _oxdiff_exptl_absorpt_empirical_full_min 0.750 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -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 Cl1 Cl 0.0273(2) 0.37134(15) 0.73327(11) 0.0866(6) Uani 0.583(3) 1 d . . P A 1 O1 O 0.4605(2) 0.53164(18) 0.22808(14) 0.0712(5) Uani 1 1 d . . . . . O2 O 0.7060(3) 0.44157(19) 0.11431(13) 0.0728(5) Uani 1 1 d . . . . . N3 N 0.3852(3) -0.2178(2) 0.14091(15) 0.0536(5) Uani 1 1 d D . . . . H3A H 0.423(3) -0.309(2) 0.1675(18) 0.064 Uiso 1 1 d D U . . . N2 N 0.2291(3) 0.20600(19) 0.03897(14) 0.0504(5) Uani 1 1 d . . . . . C15 C 0.2777(3) 0.0688(2) 0.07220(15) 0.0420(5) Uani 1 1 d . . . . . C2 C 0.6260(3) 0.2894(2) 0.25145(14) 0.0402(5) Uani 1 1 d . . . . . C1 C 0.5977(3) 0.4311(2) 0.19308(16) 0.0456(5) Uani 1 1 d . . . . . C3 C 0.7847(3) 0.1849(2) 0.22048(16) 0.0481(5) Uani 1 1 d . . . . . H3 H 0.871720 0.206687 0.165224 0.058 Uiso 1 1 calc R U . . . C18 C 0.3148(3) -0.1945(2) 0.05932(19) 0.0536(6) Uani 1 1 d . . . . . H18 H 0.302513 -0.276959 0.025015 0.064 Uiso 1 1 calc R U . . . C19 C 0.2605(3) -0.0568(2) 0.02402(17) 0.0505(5) Uani 1 1 d . . . . . H19 H 0.210312 -0.044758 -0.033842 0.061 Uiso 1 1 calc R U . . . C16 C 0.3541(3) 0.0387(2) 0.15756(16) 0.0546(6) Uani 1 1 d . . . . . H16 H 0.370078 0.117819 0.193696 0.066 Uiso 1 1 calc R U . . . C7 C 0.4981(3) 0.2571(2) 0.33324(18) 0.0565(6) Uani 1 1 d . . . . . C4 C 0.8215(3) 0.0502(2) 0.26680(18) 0.0564(6) Uani 1 1 d . . . . . H4 H 0.932209 -0.019215 0.244356 0.068 Uiso 1 1 calc R U . . . C17 C 0.4048(3) -0.1021(3) 0.18816(17) 0.0575(6) Uani 1 1 d . . . . . H17 H 0.456247 -0.119152 0.245540 0.069 Uiso 1 1 calc R U . . . C5 C 0.6951(3) 0.0185(3) 0.34577(18) 0.0584(6) Uani 1 1 d . . . . . H5 H 0.718192 -0.074270 0.377908 0.070 Uiso 1 1 calc R U . . . C6 C 0.5366(3) 0.1183(3) 0.37896(19) 0.0647(7) Uani 1 1 d . . . . . H6 H 0.450726 0.093891 0.433796 0.078 Uiso 1 1 calc R U . . . C21 C 0.1480(4) 0.2394(3) -0.0474(2) 0.0672(7) Uani 1 1 d . . . . . H21A H 0.192496 0.155908 -0.095502 0.101 Uiso 1 1 calc R U . . . H21B H 0.178564 0.328096 -0.080305 0.101 Uiso 1 1 calc R U . . . H21C H 0.018205 0.256910 -0.024784 0.101 Uiso 1 1 calc R U . . . N1 N 0.3225(6) 0.3383(5) 0.3522(4) 0.0524(11) Uani 0.583(3) 1 d D . P A 1 H1 H 0.312(6) 0.421(3) 0.321(3) 0.063 Uiso 0.5833 1 d D U P A 1 C20 C 0.2406(5) 0.3357(3) 0.0927(2) 0.0761(8) Uani 1 1 d . . . . . H20A H 0.140689 0.359127 0.151658 0.114 Uiso 1 1 calc R U . . . H20B H 0.235668 0.420222 0.047361 0.114 Uiso 1 1 calc R U . . . H20C H 0.353280 0.314223 0.114950 0.114 Uiso 1 1 calc R U . . . C9 C 0.0572(18) 0.2550(15) 0.4140(9) 0.059(2) Uani 0.583(3) 1 d . . P A 1 H9 H 0.061531 0.229785 0.346266 0.071 Uiso 0.583(3) 1 calc R U P A 1 C13 C 0.1860(6) 0.3517(5) 0.5338(4) 0.0433(11) Uani 0.583(3) 1 d . . P A 1 C12 C 0.0437(10) 0.3283(6) 0.6081(5) 0.0462(13) Uani 0.583(3) 1 d . . P A 1 C14 C 0.3327(11) 0.4090(16) 0.5579(11) 0.078(3) Uani 0.583(3) 1 d . . P A 1 H14A H 0.283976 0.508582 0.587669 0.116 Uiso 0.583(3) 1 calc R U P A 1 H14B H 0.422712 0.412592 0.495736 0.116 Uiso 0.583(3) 1 calc R U P A 1 H14C H 0.387579 0.343341 0.605994 0.116 Uiso 0.583(3) 1 calc R U P A 1 C11 C -0.0868(8) 0.2693(6) 0.5873(5) 0.0558(17) Uani 0.583(3) 1 d . . P A 1 H11 H -0.181610 0.254959 0.640581 0.067 Uiso 0.583(3) 1 calc R U P A 1 C8 C 0.1870(7) 0.3141(5) 0.4344(3) 0.0426(9) Uani 0.583(3) 1 d . . P A 1 C10 C -0.0816(6) 0.2311(6) 0.4910(4) 0.0743(14) Uani 0.583(3) 1 d . . P A 1 H10 H -0.171175 0.188836 0.476554 0.089 Uiso 0.583(3) 1 calc R U P A 1 N4 N 0.3631(9) 0.3778(7) 0.3895(5) 0.0549(17) Uani 0.417(3) 1 d D . P A 2 H4A H 0.330(8) 0.465(4) 0.366(5) 0.066 Uiso 0.4167 1 d D U P A 2 C24 C 0.1069(10) 0.2921(6) 0.4836(6) 0.0526(16) Uani 0.417(3) 1 d . . P A 2 C27 C 0.1438(9) 0.4093(7) 0.6625(5) 0.0694(18) Uani 0.417(3) 1 d . . P A 2 H27 H 0.158164 0.448031 0.722967 0.083 Uiso 0.417(3) 1 calc R U P A 2 C28 C 0.0079(10) 0.3442(7) 0.6636(7) 0.055(2) Uani 0.417(3) 1 d . . P A 2 H28 H -0.076035 0.338424 0.724890 0.065 Uiso 0.417(3) 1 calc R U P A 2 C23 C 0.2431(10) 0.3606(7) 0.4826(8) 0.0536(19) Uani 0.417(3) 1 d . . P A 2 C26 C 0.2620(14) 0.4180(18) 0.5706(14) 0.064(3) Uani 0.417(3) 1 d . . P A 2 H26 H 0.357182 0.464246 0.568428 0.077 Uiso 0.417(3) 1 calc R U P A 2 C25 C -0.0070(12) 0.2886(10) 0.5783(8) 0.0481(18) Uani 0.417(3) 1 d . . P A 2 Cl2 Cl -0.1844(3) 0.2020(2) 0.58250(16) 0.0878(8) Uani 0.417(3) 1 d . . P A 2 C22 C 0.084(3) 0.225(3) 0.3893(15) 0.080(5) Uani 0.417(3) 1 d . . P A 2 H22A H 0.138254 0.274468 0.329651 0.119 Uiso 0.417(3) 1 calc R U P A 2 H22B H -0.043310 0.238361 0.391789 0.119 Uiso 0.417(3) 1 calc R U P A 2 H22C H 0.142225 0.119499 0.385187 0.119 Uiso 0.417(3) 1 calc R U P A 2 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 Cl1 0.1127(12) 0.0841(9) 0.0427(9) -0.0055(6) -0.0109(7) 0.0103(7) O1 0.0717(12) 0.0467(9) 0.0738(12) 0.0248(8) 0.0075(9) 0.0004(8) O2 0.0860(13) 0.0586(10) 0.0596(11) 0.0177(8) 0.0110(9) -0.0185(9) N3 0.0547(11) 0.0389(10) 0.0601(12) 0.0143(9) -0.0021(9) -0.0095(8) N2 0.0605(12) 0.0384(9) 0.0503(10) 0.0099(8) -0.0077(9) -0.0133(8) C15 0.0422(11) 0.0373(10) 0.0407(10) 0.0051(8) 0.0025(9) -0.0106(8) C2 0.0423(11) 0.0387(10) 0.0388(10) 0.0038(8) -0.0066(9) -0.0109(9) C1 0.0544(13) 0.0413(11) 0.0423(11) 0.0058(9) -0.0072(10) -0.0177(10) C3 0.0477(12) 0.0488(12) 0.0442(11) -0.0011(9) -0.0004(9) -0.0134(10) C18 0.0582(14) 0.0393(11) 0.0627(14) 0.0010(10) -0.0060(11) -0.0173(10) C19 0.0541(13) 0.0459(12) 0.0537(13) 0.0065(10) -0.0116(10) -0.0175(10) C16 0.0771(16) 0.0467(12) 0.0411(11) 0.0030(9) -0.0079(11) -0.0219(11) C7 0.0479(13) 0.0475(12) 0.0565(13) 0.0191(10) 0.0046(10) 0.0040(10) C4 0.0479(13) 0.0475(13) 0.0608(14) 0.0003(10) -0.0031(11) 0.0047(10) C17 0.0727(16) 0.0549(14) 0.0450(12) 0.0126(10) -0.0114(11) -0.0187(12) C5 0.0628(15) 0.0430(12) 0.0587(14) 0.0126(10) -0.0100(12) 0.0026(11) C6 0.0554(14) 0.0536(14) 0.0640(15) 0.0277(12) 0.0083(11) 0.0026(11) C21 0.0674(16) 0.0586(15) 0.0793(18) 0.0256(13) -0.0255(14) -0.0174(12) N1 0.043(2) 0.042(2) 0.057(3) 0.0196(19) 0.0038(18) 0.0029(17) C20 0.118(2) 0.0394(13) 0.0662(16) 0.0033(11) -0.0112(16) -0.0192(14) C9 0.054(4) 0.069(5) 0.051(6) -0.008(4) -0.007(4) -0.012(3) C13 0.043(3) 0.031(2) 0.051(3) 0.004(2) -0.010(3) -0.0003(18) C12 0.054(4) 0.035(3) 0.039(4) 0.004(2) -0.007(3) 0.003(2) C14 0.066(6) 0.081(5) 0.096(6) -0.005(4) -0.025(6) -0.028(6) C11 0.037(3) 0.050(3) 0.070(3) 0.008(2) 0.013(3) -0.016(3) C8 0.038(2) 0.036(2) 0.044(2) 0.0083(19) 0.000(2) 0.0017(16) C10 0.054(3) 0.086(3) 0.085(4) -0.014(3) -0.002(2) -0.032(2) N4 0.054(4) 0.035(3) 0.057(4) 0.019(3) 0.011(3) 0.000(2) C24 0.063(4) 0.036(3) 0.049(4) 0.004(3) -0.006(4) 0.000(3) C27 0.078(5) 0.070(4) 0.057(4) -0.005(3) -0.006(3) -0.019(3) C28 0.058(4) 0.049(4) 0.044(5) 0.004(3) 0.001(4) -0.001(3) C23 0.057(4) 0.042(3) 0.048(4) 0.008(3) 0.001(4) 0.002(3) C26 0.054(7) 0.057(5) 0.081(6) 0.004(4) -0.008(7) -0.021(6) C25 0.035(5) 0.044(4) 0.061(6) 0.015(4) 0.001(4) -0.013(4) Cl2 0.0759(13) 0.0972(15) 0.0901(14) 0.0041(10) 0.0000(10) -0.0384(11) C22 0.093(12) 0.084(10) 0.057(9) -0.006(6) -0.011(7) -0.015(8) 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' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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 C18 N3 H3A 124.8(16) . . ? C17 N3 H3A 116.3(16) . . ? C17 N3 C18 118.92(19) . . ? C15 N2 C21 122.9(2) . . ? C15 N2 C20 122.0(2) . . ? C21 N2 C20 114.9(2) . . ? N2 C15 C19 122.9(2) . . ? N2 C15 C16 122.1(2) . . ? C19 C15 C16 115.08(19) . . ? C3 C2 C1 117.91(18) . . ? C3 C2 C7 118.61(18) . . ? C7 C2 C1 123.46(18) . . ? O1 C1 C2 117.24(18) . . ? O2 C1 O1 123.9(2) . . ? O2 C1 C2 118.9(2) . . ? C2 C3 H3 118.8 . . ? C4 C3 C2 122.5(2) . . ? C4 C3 H3 118.8 . . ? N3 C18 H18 119.0 . . ? N3 C18 C19 122.1(2) . . ? C19 C18 H18 119.0 . . ? C15 C19 H19 119.6 . . ? C18 C19 C15 120.9(2) . . ? C18 C19 H19 119.6 . . ? C15 C16 H16 119.8 . . ? C17 C16 C15 120.5(2) . . ? C17 C16 H16 119.8 . . ? C2 C7 C6 118.29(19) . . ? C2 C7 N4 119.2(3) . . ? C6 C7 N4 119.2(3) . . ? N1 C7 C2 121.2(3) . . ? N1 C7 C6 118.3(3) . . ? C3 C4 H4 120.7 . . ? C5 C4 C3 118.6(2) . . ? C5 C4 H4 120.7 . . ? N3 C17 C16 122.6(2) . . ? N3 C17 H17 118.7 . . ? C16 C17 H17 118.7 . . ? C4 C5 H5 119.5 . . ? C6 C5 C4 120.9(2) . . ? C6 C5 H5 119.5 . . ? C7 C6 H6 119.5 . . ? C5 C6 C7 121.1(2) . . ? C5 C6 H6 119.5 . . ? N2 C21 H21A 109.5 . . ? N2 C21 H21B 109.5 . . ? N2 C21 H21C 109.5 . . ? H21A C21 H21B 109.5 . . ? H21A C21 H21C 109.5 . . ? H21B C21 H21C 109.5 . . ? C7 N1 H1 112(3) . . ? C7 N1 C8 124.3(4) . . ? C8 N1 H1 121(3) . . ? N2 C20 H20A 109.5 . . ? N2 C20 H20B 109.5 . . ? N2 C20 H20C 109.5 . . ? H20A C20 H20B 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? C8 C9 H9 119.6 . . ? C8 C9 C10 120.9(9) . . ? C10 C9 H9 119.6 . . ? C12 C13 C14 122.3(7) . . ? C12 C13 C8 116.0(6) . . ? C8 C13 C14 121.7(7) . . ? C13 C12 Cl1 120.2(6) . . ? C11 C12 Cl1 117.1(5) . . ? C11 C12 C13 122.6(6) . . ? C13 C14 H14A 109.5 . . ? C13 C14 H14B 109.5 . . ? C13 C14 H14C 109.5 . . ? H14A C14 H14B 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? C12 C11 H11 119.8 . . ? C10 C11 C12 120.5(5) . . ? C10 C11 H11 119.8 . . ? C9 C8 N1 118.0(6) . . ? C9 C8 C13 121.2(7) . . ? C13 C8 N1 120.8(6) . . ? C9 C10 H10 120.6 . . ? C11 C10 C9 118.8(7) . . ? C11 C10 H10 120.6 . . ? C7 N4 H4A 124(4) . . ? C23 N4 C7 124.2(5) . . ? C23 N4 H4A 110(4) . . ? C23 C24 C25 114.9(9) . . ? C23 C24 C22 122.3(14) . . ? C25 C24 C22 122.9(12) . . ? C28 C27 H27 120.8 . . ? C28 C27 C26 118.4(10) . . ? C26 C27 H27 120.8 . . ? C27 C28 H28 120.3 . . ? C25 C28 C27 119.5(9) . . ? C25 C28 H28 120.3 . . ? C24 C23 N4 120.1(10) . . ? C24 C23 C26 120.7(10) . . ? C26 C23 N4 119.1(8) . . ? C27 C26 H26 119.4 . . ? C23 C26 C27 121.2(11) . . ? C23 C26 H26 119.4 . . ? C24 C25 Cl2 116.2(9) . . ? C28 C25 C24 125.4(10) . . ? C28 C25 Cl2 118.4(6) . . ? C24 C22 H22A 109.5 . . ? C24 C22 H22B 109.5 . . ? C24 C22 H22C 109.5 . . ? H22A C22 H22B 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? 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 Cl1 C12 1.732(7) . ? O1 C1 1.264(3) . ? O2 C1 1.228(3) . ? N3 H3A 0.917(16) . ? N3 C18 1.338(3) . ? N3 C17 1.333(3) . ? N2 C15 1.336(3) . ? N2 C21 1.450(3) . ? N2 C20 1.468(3) . ? C15 C19 1.412(3) . ? C15 C16 1.415(3) . ? C2 C1 1.510(3) . ? C2 C3 1.382(3) . ? C2 C7 1.402(3) . ? C3 H3 0.9500 . ? C3 C4 1.380(3) . ? C18 H18 0.9500 . ? C18 C19 1.357(3) . ? C19 H19 0.9500 . ? C16 H16 0.9500 . ? C16 C17 1.355(3) . ? C7 C6 1.409(3) . ? C7 N1 1.386(5) . ? C7 N4 1.453(7) . ? C4 H4 0.9500 . ? C4 C5 1.369(3) . ? C17 H17 0.9500 . ? C5 H5 0.9500 . ? C5 C6 1.364(3) . ? C6 H6 0.9500 . ? C21 H21A 0.9800 . ? C21 H21B 0.9800 . ? C21 H21C 0.9800 . ? N1 H1 0.860(19) . ? N1 C8 1.418(7) . ? C20 H20A 0.9800 . ? C20 H20B 0.9800 . ? C20 H20C 0.9800 . ? C9 H9 0.9500 . ? C9 C8 1.361(15) . ? C9 C10 1.392(14) . ? C13 C12 1.387(9) . ? C13 C14 1.494(11) . ? C13 C8 1.406(7) . ? C12 C11 1.368(8) . ? C14 H14A 0.9800 . ? C14 H14B 0.9800 . ? C14 H14C 0.9800 . ? C11 H11 0.9500 . ? C11 C10 1.358(8) . ? C10 H10 0.9500 . ? N4 H4A 0.87(2) . ? N4 C23 1.430(11) . ? C24 C23 1.379(11) . ? C24 C25 1.399(13) . ? C24 C22 1.51(2) . ? C27 H27 0.9500 . ? C27 C28 1.356(10) . ? C27 C26 1.395(16) . ? C28 H28 0.9500 . ? C28 C25 1.329(12) . ? C23 C26 1.38(2) . ? C26 H26 0.9500 . ? C25 Cl2 1.773(10) . ? C22 H22A 0.9800 . ? C22 H22B 0.9800 . ? C22 H22C 0.9800 . ? 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 Cl1 C12 C11 C10 -179.2(4) . . . . ? N3 C18 C19 C15 0.5(3) . . . . ? N2 C15 C19 C18 178.7(2) . . . . ? N2 C15 C16 C17 -178.9(2) . . . . ? C15 C16 C17 N3 -0.3(4) . . . . ? C2 C3 C4 C5 0.6(4) . . . . ? C2 C7 C6 C5 1.0(4) . . . . ? C2 C7 N1 C8 -178.6(4) . . . . ? C2 C7 N4 C23 -170.2(7) . . . . ? C1 C2 C3 C4 -178.1(2) . . . . ? C1 C2 C7 C6 177.2(2) . . . . ? C1 C2 C7 N1 14.4(4) . . . . ? C1 C2 C7 N4 -23.5(5) . . . . ? C3 C2 C1 O1 -173.1(2) . . . . ? C3 C2 C1 O2 8.2(3) . . . . ? C3 C2 C7 C6 -1.0(4) . . . . ? C3 C2 C7 N1 -163.8(3) . . . . ? C3 C2 C7 N4 158.3(4) . . . . ? C3 C4 C5 C6 -0.7(4) . . . . ? C18 N3 C17 C16 0.8(4) . . . . ? C19 C15 C16 C17 -0.1(3) . . . . ? C16 C15 C19 C18 0.0(3) . . . . ? C7 C2 C1 O1 8.7(3) . . . . ? C7 C2 C1 O2 -170.0(2) . . . . ? C7 C2 C3 C4 0.2(3) . . . . ? C7 N1 C8 C9 -109.3(9) . . . . ? C7 N1 C8 C13 71.4(6) . . . . ? C7 N4 C23 C24 -71.4(9) . . . . ? C7 N4 C23 C26 110.8(10) . . . . ? C4 C5 C6 C7 -0.1(4) . . . . ? C17 N3 C18 C19 -0.9(3) . . . . ? C6 C7 N1 C8 18.6(7) . . . . ? C6 C7 N4 C23 -11.1(10) . . . . ? C21 N2 C15 C19 2.4(3) . . . . ? C21 N2 C15 C16 -179.0(2) . . . . ? N1 C7 C6 C5 164.3(3) . . . . ? C20 N2 C15 C19 177.2(2) . . . . ? C20 N2 C15 C16 -4.1(3) . . . . ? C13 C12 C11 C10 -0.1(8) . . . . ? C12 C13 C8 N1 177.8(4) . . . . ? C12 C13 C8 C9 -1.5(9) . . . . ? C12 C11 C10 C9 -0.9(10) . . . . ? C14 C13 C12 Cl1 2.2(8) . . . . ? C14 C13 C12 C11 -176.8(7) . . . . ? C14 C13 C8 N1 -4.1(8) . . . . ? C14 C13 C8 C9 176.7(10) . . . . ? C8 C9 C10 C11 0.7(16) . . . . ? C8 C13 C12 Cl1 -179.7(3) . . . . ? C8 C13 C12 C11 1.3(7) . . . . ? C10 C9 C8 N1 -178.7(8) . . . . ? C10 C9 C8 C13 0.5(15) . . . . ? N4 C7 C6 C5 -158.3(4) . . . . ? N4 C23 C26 C27 177.4(9) . . . . ? C24 C23 C26 C27 -0.4(16) . . . . ? C27 C28 C25 C24 -0.8(11) . . . . ? C27 C28 C25 Cl2 179.2(5) . . . . ? C28 C27 C26 C23 -0.7(16) . . . . ? C23 C24 C25 C28 -0.3(10) . . . . ? C23 C24 C25 Cl2 179.8(5) . . . . ? C26 C27 C28 C25 1.2(12) . . . . ? C25 C24 C23 N4 -176.9(6) . . . . ? C25 C24 C23 C26 0.9(11) . . . . ? C22 C24 C23 N4 3.5(14) . . . . ? C22 C24 C23 C26 -178.8(14) . . . . ? C22 C24 C25 C28 179.3(13) . . . . ? C22 C24 C25 Cl2 -0.6(14) . . . . ? loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_sigma 0 0 2 5.04 1.19 0 0 -3 26.13 1.34 0 0 3 25.08 2.92 0 0 4 51.27 1.68 0 0 4 47.24 4.68 0 0 -4 52.01 2.25 0 0 -5 298.32 7.05 0 0 5 292.05 13.32 0 0 5 291.89 5.75 0 0 6 441.1 18.18 0 0 6 429.87 8.05 0 0 -6 426.88 9.64 0 0 -7 46.8 2.86 0 0 7 51.48 6.39 0 0 7 46.6 2.05 0 0 -8 15.39 1.75 0 0 8 15.56 1.2 0 0 -8 14.67 1.4 0 0 -9 33.28 2.32 0 0 -9 33.4 2.76 0 0 9 33.95 1.92 0 0 -10 75.93 3.77 0 0 -10 73.63 4.38 0 0 10 81.99 3.23 0 0 -11 4.66 1.05 0 0 -11 5.78 1.38 0 0 -12 18.47 2.04 0 0 -13 59.25 3.77 0 0 -14 3.77 1.06 0 0 -15 15.69 2.15 0 0 -16 1.92 0.86 0 1 -16 6.47 1.59 0 1 -15 2.28 0.96 0 1 -14 28.25 2.75 0 1 -13 30.5 2.7 0 1 -12 -0.18 0.66 0 1 -12 0.26 0.68 0 1 -11 3.22 0.97 0 1 -11 3.5 1.25 0 1 -10 14.89 1.68 0 1 -10 17.49 2.23 0 1 -9 63.8 3.17 0 1 -9 61.32 3.76 0 1 -8 510.88 12.3 0 -1 8 540.95 9.62 0 1 -8 517.94 10.92 0 1 -7 12.58 1.48 0 1 -7 12.52 1.22 0 -1 7 10.01 2.94 0 -1 7 10.59 0.86 0 1 -6 471.53 10.54 0 -1 6 493.63 8.4 0 1 -6 479.1 9.49 0 -1 5 17.68 3.21 0 -1 5 18.13 0.9 0 1 -5 17.22 1.18 0 1 -5 17.25 1.47 0 -1 4 21.9 3.14 0 1 -4 21 1.18 0 1 -4 20.97 1.41 0 -1 3 172.69 7.87 0 1 -3 160.73 7.76 0 -1 3 150.1 6.44 0 1 -3 156.09 6.29 0 1 -3 167.07 4.01 0 1 -3 164.86 3.56 0 -1 2 35.58 2.93 0 1 -2 39.97 2.97 0 -1 2 37.61 2.96 0 1 -2 39.03 3.08 0 -1 1 1361.05 25.11 0 1 -1 1525.55 23.92 0 -1 0 108.9 4.78 0 -1 -1 195.88 6.37 0 1 1 200.64 6.44 0 -1 -2 197.27 6.29 0 1 2 188.71 5.98 0 -1 -3 514.63 9.11 0 1 3 515.2 8.78 0 -1 -4 105.4 3.36 0 1 4 117.63 3.09 0 1 5 412.2 16.08 0 1 5 422.49 8.12 0 -1 -5 432.21 8.97 0 -1 -6 31.94 2.1 0 1 6 30.21 1.66 0 1 6 35.4 4.94 0 1 7 4.17 2.15 0 -1 -7 1.86 0.69 0 1 7 2.67 0.57 0 -1 -8 96.72 4.39 0 1 8 98.56 3.54 0 -1 -9 129.28 5.52 0 1 9 132.77 4.39 0 -1 -10 25.15 2.23 0 1 10 24.39 1.85 0 1 11 22.26 1.84 0 -1 -11 21.6 2.09 0 1 12 3.03 0.75 0 -1 -12 1.66 0.83 0 -1 -13 2.48 0.91 0 -1 -14 0.68 0.62 0 -1 -15 1.33 0.78 0 -1 -16 0.73 0.79 0 2 -16 11.96 2.01 0 2 -15 1.14 0.79 0 2 -14 4.46 1.23 0 2 -13 -0.61 0.73 0 2 -13 -0.2 0.67 0 2 -12 20.18 2.16 0 2 -12 19.86 2.53 0 2 -11 36.64 3.26 0 2 -11 29.48 2.47 0 2 -10 6.04 1.13 0 2 -10 7.31 1.5 0 2 -9 145.2 6.04 0 2 -9 141.58 5.04 0 2 -8 75.27 3.96 0 2 -8 73.38 3.25 0 2 -7 60.28 3.31 0 2 -7 57.48 2.68 0 -2 7 68.71 7.52 0 2 -6 59.94 2.51 0 -2 6 54.93 6.3 0 2 -6 57.82 3 0 -2 6 53.6 1.55 0 -2 5 160.1 9.86 0 2 -5 161.61 4.87 0 2 -5 153.57 4.15 0 2 -4 59.55 5.01 0 2 -4 49.38 4.96 0 -2 4 50.69 4.96 0 2 -4 56.77 2.07 0 -2 4 50.17 4.87 0 2 -4 52.63 2.35 0 2 -3 883.9 13.79 0 2 -3 841.53 21.89 0 2 -3 867.98 14.41 0 2 -3 839.86 21.54 0 2 -2 4438.66 68.13 0 2 -2 4389.94 71.86 0 2 -2 4508.62 60.67 0 -2 1 1042.54 20.31 0 2 -1 1082.77 16.85 0 2 0 1240.65 22.04 0 2 0 1285.96 19.61 0 2 1 56.16 4.51 0 2 1 58.32 1.77 0 2 1 51.28 3.14 0 -2 -1 59.08 4.84 0 -2 -2 14.49 2.3 0 2 2 14.57 0.93 0 2 2 13.68 2.16 0 2 3 79.54 2.53 0 2 3 69.57 4.72 0 2 4 2.3 0.45 0 2 5 300.38 6.66 0 2 6 83.92 3.14 0 2 7 7.09 2.42 0 2 7 7.76 0.98 0 2 8 5.14 0.85 0 2 9 6.09 0.97 0 2 10 39.93 2.58 0 2 11 173.25 5.94 0 -2 -12 0.34 0.75 0 2 12 -0.44 0.43 0 -2 -13 8.58 1.58 0 2 13 6.67 1.16 0 -2 -14 2.84 1.15 0 -2 -15 4.74 1.23 0 -2 -16 8.62 1.69 0 3 -16 5.22 1.49 0 3 -15 7.27 1.59 0 3 -14 0.56 0.58 0 3 -14 -0.49 0.93 0 3 -13 47.76 4.2 0 3 -13 45.69 3.4 0 3 -12 17.95 2.45 0 3 -12 16.3 1.97 0 3 -11 125.1 5.28 0 3 -11 125.41 6.3 0 3 -10 86.59 4.07 0 3 -10 87.61 4.94 0 3 -9 71.6 3.45 0 3 -9 67.16 4.07 0 3 -8 97.82 3.9 0 3 -8 95.56 4.62 0 3 -7 2.88 0.89 0 3 -7 4.04 0.81 0 3 -6 3.57 0.68 0 3 -6 2.35 0.68 0 3 -6 5.36 0.96 0 3 -5 933.96 15.66 0 3 -5 942.44 27.31 0 3 -5 904.7 16.64 0 3 -4 2.2 0.56 0 3 -4 1.79 1.24 0 3 -4 3.06 1.37 0 3 -4 2.07 0.47 0 -3 4 1.34 1.27 0 3 -3 2288.67 34.54 0 3 -3 2344.41 44.14 0 3 -3 2285.67 34.05 0 3 -3 2345.5 48.79 0 3 -2 481.65 18.34 0 3 -2 505.04 8.72 0 3 -2 501.29 9.55 0 -3 2 503.3 18.77 0 3 -2 487.85 14.14 0 3 -2 499.15 8.63 0 3 -1 515.93 8.35 0 3 -1 504.18 9.51 0 -3 1 511.21 12.88 0 -3 0 331.94 14.28 0 3 0 296.46 6.16 0 3 0 266.26 6.37 0 3 0 293.96 8.47 0 3 0 304.06 5.53 0 -3 -1 534.16 18.63 0 3 1 530.77 18.24 0 3 1 537.84 9.35 0 3 2 592.85 10.48 0 3 2 604.65 19.29 0 -3 -2 570.33 19.58 0 3 2 617.46 16.16 0 3 3 246.44 11.43 0 3 3 230.8 5.41 0 3 4 14.11 1.22 0 3 5 6.81 0.95 0 3 6 9.77 1.29 0 3 7 125.28 4.45 0 3 8 5.02 0.89 0 3 9 6.69 1.1 0 3 10 2.18 0.65 0 3 11 73.39 3.9 0 3 12 107.89 4.93 0 3 13 3.5 0.91 0 -3 -13 3.89 1.12 0 -3 -14 6.17 1.51 0 3 14 2.97 1.01 0 -3 -15 6.05 1.43 0 4 -14 5.96 1.56 0 4 -13 4.19 1.23 0 4 -13 2.77 1.07 0 4 -12 1.76 0.79 0 4 -12 3.55 1.32 0 4 -11 731.29 17.25 0 4 -11 718.01 17.87 0 4 -11 732.37 15.71 0 4 -10 100.1 5.49 0 4 -10 105.03 4.6 0 4 -10 117.36 5.54 0 4 -9 45.62 2.78 0 4 -9 41.01 3.09 0 4 -9 44.37 3.33 0 4 -8 19.47 1.71 0 4 -8 18.1 1.92 0 4 -8 18.75 2.04 0 4 -7 14.58 1.38 0 4 -7 14.54 1.64 0 4 -7 14.62 1.66 0 4 -6 22.4 1.91 0 4 -6 27.2 1.84 0 4 -6 29.68 2.26 0 4 -5 69.4 2.74 0 4 -5 70.79 3.17 0 4 -5 74.44 7.08 0 4 -5 69.92 3.34 0 4 -4 25.24 1.49 0 4 -4 25.06 3.66 0 4 -4 23.83 1.64 0 4 -4 22.31 1.77 0 4 -3 60.27 6.94 0 -4 3 65.11 7.35 0 4 -3 57.07 5.07 0 4 -3 57.62 2.3 0 4 -3 58.81 2.24 0 4 -2 2.53 0.44 0 4 -2 3.48 0.76 0 -4 2 1.4 1.38 0 4 -2 2.67 0.36 0 4 -2 2.43 1.04 0 4 -2 1.59 1.31 0 -4 2 1.35 0.71 0 4 -2 1.2 0.34 0 4 -1 498.85 10.46 0 -4 1 515.57 21.42 0 4 -1 511.32 9.35 0 4 -1 538.09 8.99 0 4 -1 543.47 10.45 0 4 0 100.28 5.25 0 -4 0 98.49 5.11 0 4 0 101.87 3.54 0 4 0 109.1 3.6 0 -4 0 110.69 9.34 0 4 0 98.44 2.87 0 4 1 16.04 1.14 0 4 1 19.64 1.44 0 -4 -1 19.79 3.93 0 4 1 13.94 3.33 0 4 2 98.67 6.09 0 4 2 97.65 3.22 0 4 2 107.26 8.74 0 4 3 7.99 2 0 4 3 8.83 1.01 0 4 4 42.54 5.03 0 4 4 41.92 2.25 0 4 5 19.8 1.7 0 4 6 158.57 5.17 0 4 7 45.08 2.79 0 4 8 0.77 0.43 0 4 9 4.36 0.92 0 4 10 -0.29 0.78 0 4 11 7.55 1.31 0 4 12 15.93 1.95 0 4 13 1.71 0.92 0 -4 -14 0.75 0.8 0 4 14 0.97 0.68 0 -4 -15 22.06 2.65 0 4 15 19.22 2.38 0 5 -14 14.9 2.64 0 5 -14 18.17 2.68 0 5 -13 -0.67 0.72 0 5 -13 0.3 0.86 0 5 -12 0.35 0.74 0 5 -12 0.47 0.69 0 5 -11 67.19 4.49 0 5 -11 53.18 4.16 0 5 -10 121.11 5.98 0 5 -10 112.06 5.66 0 5 -9 11.53 1.77 0 5 -9 9.31 1.53 0 5 -8 2.02 0.78 0 5 -8 1.8 0.91 0 5 -7 22.62 2.1 0 5 -7 24.84 2.27 0 5 -6 46.66 3 0 5 -6 51.61 2.94 0 5 -5 57.71 6.4 0 5 -5 60.35 2.64 0 5 -5 55.52 2.87 0 5 -5 52.05 3.13 0 5 -4 21.13 3.53 0 5 -4 21.85 1.62 0 5 -4 18.25 1.76 0 -5 4 19.26 3.28 0 5 -4 20.91 1.46 0 -5 3 10.83 2.3 0 5 -3 9.95 0.95 0 5 -3 10.31 1.37 0 5 -3 8.91 1.21 0 5 -3 11.13 2.32 0 5 -3 9.6 0.95 0 5 -2 40.77 2.61 0 5 -2 35.57 2.43 0 5 -2 30.85 1.5 0 5 -2 36.05 2.33 0 5 -2 32.22 3.64 0 5 -2 30.09 1.66 0 5 -2 34.28 1.53 0 5 -1 294.03 8.02 0 5 -1 324.3 7.87 0 5 -1 318.28 8.23 0 5 -1 326.28 6.48 0 5 -1 317.14 6.64 0 5 0 113.47 3.48 0 5 0 120.68 4.51 0 5 0 124.67 4.38 0 5 0 124.71 4.59 0 -5 0 106.35 5.76 0 5 1 13.09 1.36 0 5 1 16.49 1.5 0 5 1 14.7 1.21 0 5 2 12.67 1.3 0 5 2 9.31 1.06 0 5 3 40.87 4.57 0 5 3 38.63 2.19 0 5 4 27.3 4.08 0 5 4 24.33 1.88 0 5 5 2.12 0.78 0 5 6 96.15 4.16 0 5 7 10.19 1.35 0 5 8 6.74 1.22 0 5 9 3.15 0.9 0 5 10 7.08 1.33 0 5 11 0.21 0.6 0 5 12 14.02 1.94 0 5 13 16.27 2.2 0 -5 -14 23.56 2.64 0 5 14 25.38 2.81 0 6 -14 18.17 2.72 0 6 -13 5.64 1.57 0 6 -13 6.11 1.76 0 6 -12 10.72 2.12 0 6 -12 9.13 1.88 0 6 -11 2.3 1.26 0 6 -11 -0.31 0.65 0 6 -10 1.9 0.86 0 6 -9 4.4 1.29 0 6 -8 1.92 0.87 0 6 -7 -0.67 0.71 0 6 -6 72.63 4.26 0 6 -5 8.33 1.37 0 6 -4 1.5 0.75 0 6 -3 30.38 2.58 0 6 -3 30.13 2.48 0 6 -2 4.76 0.94 0 6 -2 4.79 0.99 0 6 -2 4.5 1 0 6 -1 39.94 2.8 0 6 -1 39.97 2.61 0 6 -1 41.9 1.99 0 6 -1 35.77 2.56 0 6 0 31.01 2.49 0 6 0 36.92 2.52 0 6 0 29.33 2.35 0 6 0 30.59 1.82 0 6 1 4.65 0.98 0 6 1 4.09 0.74 0 6 1 4.1 0.87 0 6 2 12.37 1.43 0 6 2 8.72 1.07 0 6 3 20.13 1.83 0 6 3 17.86 1.66 0 6 4 7.53 1.15 0 6 5 0.78 0.4 0 6 6 78.95 3.94 0 6 7 40.56 2.86 0 6 8 20.39 2.11 0 6 9 16.55 1.97 0 6 10 3.57 1.1 0 6 11 -0.35 0.65 0 6 12 5.25 1.34 0 6 13 6.56 1.6 0 7 -13 13.9 2.38 0 7 -12 49.87 4.29 0 7 -11 2.19 1.3 0 7 -10 3.76 1.34 0 7 -9 37.82 3.47 0 7 -8 1.09 0.88 0 7 -7 21.94 2.59 0 7 -6 13.62 2 0 7 -5 4.3 1.11 0 7 -4 9.78 1.58 0 7 -4 8.5 1.49 0 7 -3 18.14 2.1 0 7 -3 21.29 2.19 0 7 -2 4.94 1.06 0 7 -2 3.01 0.79 0 7 -2 3.86 1.04 0 7 -1 1.82 0.73 0 7 -1 3.89 1.12 0 7 -1 1.6 0.9 0 7 0 108.97 4.82 0 7 0 120.01 5.17 0 7 1 154.26 5.91 0 7 1 167.52 5.18 0 7 1 159.12 5.96 0 7 2 163.86 6.11 0 7 2 172.62 6.13 0 7 2 166.01 5.51 0 7 3 0.03 0.38 0 7 3 -0.02 0.4 0 7 4 9.85 1.42 0 7 4 10.42 1.45 0 7 5 2.37 0.73 0 7 6 29.77 2.56 0 7 7 1.06 0.64 0 7 8 0.15 0.55 0 7 9 16.64 2.13 0 7 10 7.85 1.63 0 7 11 6.99 1.6 0 7 12 9.44 1.85 0 8 -11 4.98 1.59 0 8 -10 1.64 0.92 0 8 -9 0.38 0.68 0 8 -8 11.58 2.16 0 8 -7 -0.95 0.85 0 8 -6 17.01 2.24 0 8 -5 0.91 0.79 0 8 -4 32.71 3.22 0 8 -4 35.81 3.2 0 8 -3 12.35 1.91 0 8 -3 9.16 1.62 0 8 -2 1.58 0.86 0 8 -2 3.25 1.17 0 8 -2 3.37 1.14 0 8 -1 2.13 0.95 0 8 -1 1.45 0.85 0 8 -1 0.32 0.6 0 8 0 59.69 3.87 0 8 0 52.07 3.53 0 8 1 278.9 8.9 0 8 1 306.09 9.48 0 8 2 21.91 2.34 0 8 2 23.85 2.04 0 8 2 19.83 2.23 0 8 3 91.5 4.83 0 8 3 89.48 4.73 0 8 3 91.35 4.32 0 8 4 9.51 1.47 0 8 4 9.97 1.53 0 8 5 0.16 0.59 0 8 5 1.28 0.68 0 8 6 11.18 1.69 0 8 6 12.67 1.75 0 8 7 1.55 0.83 0 8 8 3.34 1.13 0 8 9 14.34 2.1 0 8 10 1.64 0.96 0 8 11 4.87 1.46 0 9 -10 -0.91 1.25 0 9 -9 7.33 1.81 0 9 -8 0.85 0.96 0 9 -7 3.27 1.14 0 9 -6 3.45 1.2 0 9 -5 61.58 4.58 0 9 -4 45.78 4 0 9 -3 10.84 1.94 0 9 -3 11.1 2.01 0 9 -2 11.84 1.91 0 9 -2 10.06 1.98 0 9 -1 -0.05 0.52 0 9 -1 -1.14 0.91 0 9 0 15.85 2.08 0 9 0 14.59 2.09 0 9 1 3.04 0.87 0 9 1 3.86 1.15 0 9 2 32.46 2.99 0 9 2 32.73 3.1 0 9 3 48.62 3.67 0 9 3 46.44 3.66 0 9 4 37.66 3.23 0 9 4 37.65 3.28 0 9 4 36.76 2.99 0 9 5 34.75 3.24 0 9 5 36.35 3.21 0 9 5 33.89 2.96 0 9 6 8.86 1.64 0 9 6 10.19 1.71 0 9 7 10.24 1.8 0 9 7 7.54 1.56 0 9 8 3.8 1.23 0 9 9 5.4 1.4 0 10 -7 0.05 0.71 0 10 -6 0.89 0.73 0 10 -5 10.68 2.16 0 10 -4 1.24 1.13 0 10 -3 1.41 1 0 10 -3 1.51 0.91 0 10 -2 0.4 0.81 0 10 -1 1.73 1.09 0 10 -1 3.56 1.3 0 10 0 4.75 1.31 0 10 0 2.07 0.97 0 10 1 6.91 1.76 0 10 1 7.1 1.57 0 10 2 0.98 1.08 0 10 2 0.34 0.8 0 10 3 1.43 1.13 0 10 3 0.71 0.75 0 10 4 1.65 1.12 0 10 4 1.01 0.77 0 10 5 5.39 1.29 0 10 5 4.09 1.32 0 10 6 1.23 0.73 0 10 6 2.51 1.03 0 10 7 3 1.04 0 11 -4 6.52 1.82 0 11 -3 2.56 1.5 0 11 -2 31.63 3.62 0 11 -1 12.02 2.38 0 11 0 -0.11 0.83 0 11 0 1.75 1.19 0 11 1 0.95 0.69 0 11 1 -0.21 0.75 0 11 2 3.11 1.17 0 11 2 3.06 1.3 0 11 3 -0.11 0.61 0 11 3 0.3 0.9 -1 10 6 2.45 1.08 -1 10 6 1.66 0.74 -1 10 5 6.35 1.53 -1 10 4 1.48 0.88 -1 10 3 3.44 1.18 -1 10 2 1.58 1.02 -1 10 1 -0.75 0.96 -1 10 0 -0.28 0.66 -1 10 0 -1.18 0.78 -1 10 -1 1.46 0.9 -1 10 -1 -0.52 0.75 -1 10 -2 1.08 0.86 -1 10 -2 4.1 1.51 -1 10 -4 7.57 1.89 -1 10 -5 -0.91 1.05 -1 10 -6 12.2 2.31 -1 10 -7 3.42 1.35 -1 9 8 0.19 0.63 -1 9 7 3.13 1.09 -1 9 7 1.26 0.92 -1 9 6 1.77 0.93 -1 9 6 2.78 1.1 -1 9 5 0.72 0.66 -1 9 5 0.49 0.6 -1 9 4 8 1.58 -1 9 4 7.11 1.36 -1 9 3 4.4 1.22 -1 9 2 1.9 1.01 -1 9 2 -1.12 0.8 -1 9 1 13.96 2.04 -1 9 1 11.3 1.89 -1 9 0 0.57 0.88 -1 9 0 0.01 0.55 -1 9 -1 6.5 1.51 -1 9 -1 6.12 1.37 -1 9 -2 7.29 1.53 -1 9 -2 5.85 1.48 -1 9 -3 1.23 0.94 -1 9 -3 0.89 0.75 -1 9 -4 1.75 1.04 -1 9 -5 0.06 1.05 -1 9 -6 3.76 1.26 -1 9 -7 3.43 1.39 -1 9 -8 0.85 0.82 -1 9 -9 12.94 2.49 -1 8 10 1.31 0.69 -1 8 9 5.6 1.36 -1 8 8 1.21 0.59 -1 8 7 -0.32 0.71 -1 8 6 0.75 0.55 -1 8 5 12.83 1.82 -1 8 5 10.49 1.84 -1 8 4 38.76 2.94 -1 8 4 39.98 3.38 -1 8 3 205.51 7.34 -1 8 3 207.29 7.81 -1 8 3 216.59 7.16 -1 8 2 1.61 0.88 -1 8 2 0.33 0.54 -1 8 2 0.05 0.49 -1 8 1 76.64 4.52 -1 8 1 82.79 4.49 -1 8 0 11.15 1.74 -1 8 0 11.96 1.68 -1 8 -1 4.14 1.32 -1 8 -1 1.38 0.7 -1 8 -2 35.62 3.12 -1 8 -2 39.37 3.48 -1 8 -2 36.5 3.09 -1 8 -3 1.27 0.78 -1 8 -3 0.11 0.57 -1 8 -3 0.46 0.7 -1 8 -4 111.12 5.91 -1 8 -5 12.68 2.03 -1 8 -6 0.13 0.73 -1 8 -7 101.16 5.91 -1 8 -8 -0.19 0.77 -1 8 -9 0.47 0.73 -1 8 -10 4.41 1.47 -1 8 -11 7.85 1.85 -1 7 11 -2.08 1 -1 7 10 0.77 0.72 -1 7 9 0.71 0.66 -1 7 8 4.3 1.02 -1 7 7 3.99 1.07 -1 7 6 -0.31 0.71 -1 7 5 22.56 2.24 -1 7 4 206.59 6.96 -1 7 3 93.64 4.27 -1 7 3 102.69 4.96 -1 7 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1 3 -1 189.42 4.43 1 3 0 443.94 7.86 1 3 0 425.75 8.24 1 3 0 439.24 8.16 -1 -3 -1 704.72 11.54 1 3 1 665.86 11.47 1 3 1 690.44 11.6 1 3 1 670.54 11.39 1 3 2 425.55 7.53 1 3 2 416.44 7.81 -1 -3 -2 402.14 7.38 1 3 3 68.4 4.41 1 3 3 65.53 2.4 1 3 4 286.88 11.1 1 3 4 274.85 6.22 -1 -3 -5 13.76 2.52 1 3 5 15.83 2.88 1 3 5 17.56 1.37 -1 -3 -6 8.37 1.91 1 3 6 6.27 2.02 1 3 6 9.19 1.07 1 3 7 4.54 2.03 1 3 7 4.12 0.8 1 3 8 226.84 6.32 -1 -3 -9 38.6 2.48 1 3 9 35.2 2.35 1 3 10 4.8 0.91 -1 -3 -10 4.29 0.91 1 3 11 4.99 1.02 -1 -3 -11 7.3 1.31 1 3 12 25.64 2.28 -1 -3 -12 25.01 2.38 -1 -3 -13 51.95 3.62 1 3 13 56.85 3.52 -1 -3 -14 77.95 4.59 1 3 14 77.09 4.35 -1 -3 -15 0.15 0.64 -1 -3 -16 7.65 1.65 1 4 -15 9.5 2.35 1 4 -14 25.82 3.41 1 4 -13 12.12 2.31 1 4 -12 1.81 1.07 1 4 -11 24.1 2.77 1 4 -10 21.47 2.49 1 4 -10 23.69 2.1 1 4 -9 201.85 7.67 1 4 -9 210.45 6.32 1 4 -8 15.27 1.45 1 4 -8 14.64 1.76 1 4 -8 13.94 1.82 1 4 -7 75.61 3.78 1 4 -7 78.95 3.14 -1 -4 7 66.32 7.56 1 4 -7 70.6 3.82 -1 -4 6 1.58 1.11 1 4 -6 1.04 0.47 1 4 -6 0.19 0.33 1 4 -6 1.06 0.32 -1 -4 6 0.7 0.8 1 4 -5 444.41 10.05 1 4 -5 443.34 10.08 -1 -4 5 442.2 17.7 1 4 -5 469.16 8.75 1 4 -4 5.9 0.89 1 4 -4 5.58 0.64 1 4 -4 5.3 0.83 -1 -4 4 7.07 1.97 -1 -4 4 5.83 2.08 1 4 -3 595.48 11.42 -1 -4 3 601.75 17.65 1 4 -3 611.36 10.01 1 4 -3 606.27 11.76 1 4 -2 457.06 9.71 1 4 -2 491.11 9.36 1 4 -2 489.08 8.55 1 4 -1 748.07 12.76 1 4 -1 726.9 13.53 1 4 -1 735.43 12.33 1 4 0 603.68 10.58 1 4 0 579.47 11.29 1 4 0 578.8 11.05 1 4 0 620.68 10.57 1 4 1 2.07 0.46 -1 -4 -1 2.44 0.51 1 4 1 1.38 0.34 1 4 1 1.68 0.44 -1 -4 -1 3.07 1.6 1 4 2 333.77 6.82 -1 -4 -2 335.3 15.72 1 4 2 308.48 8.08 1 4 2 326.73 6.82 1 4 2 315.27 6.86 -1 -4 -2 310.28 6.42 1 4 3 352.28 10.52 -1 -4 -3 344.93 6.62 1 4 3 334.9 7.33 -1 -4 -3 335.2 15.31 1 4 4 444.67 14.01 1 4 4 409.22 8.85 -1 -4 -4 418.31 17.15 1 4 5 331.97 7.74 -1 -4 -5 329.53 14.92 1 4 5 327.89 13.44 1 4 6 108.73 4.05 -1 -4 -6 99.38 7.87 1 4 6 101.57 7.94 1 4 7 4.64 0.84 1 4 7 4.4 1.82 1 4 8 40.24 2.64 1 4 9 0.53 0.47 -1 -4 -10 3.38 0.8 1 4 10 2.48 0.73 1 4 11 15.18 1.8 -1 -4 -11 18.81 1.98 -1 -4 -12 28.12 2.52 1 4 12 28.3 2.58 -1 -4 -13 3.92 1.12 1 4 13 4.24 1.1 -1 -4 -14 3.16 1.04 1 4 14 3.19 0.97 -1 -4 -15 7.19 1.62 1 4 15 7.28 1.43 1 5 -14 7.38 1.87 1 5 -14 4.67 1.38 1 5 -13 17.75 2.54 1 5 -13 17.46 2.66 1 5 -12 30.83 3.44 1 5 -12 36.54 3.46 1 5 -11 70.39 4.57 1 5 -11 63.69 4.62 1 5 -10 2.77 1.01 1 5 -10 3.83 1.11 1 5 -9 195.53 7.61 1 5 -9 189.77 7.2 1 5 -8 538.37 13.37 1 5 -8 544.25 13.17 1 5 -7 177.46 6.44 1 5 -7 171.7 6.26 1 5 -6 2.5 0.69 1 5 -6 2.94 0.72 1 5 -5 24.16 2.03 1 5 -5 23.07 1.89 1 5 -4 83.36 3.89 1 5 -4 84.02 3.75 1 5 -4 96.3 3.72 1 5 -3 10.1 1.39 1 5 -3 9.18 1.21 -1 -5 2 398.24 19.69 1 5 -2 400.74 9.27 1 5 -2 406.63 7.73 1 5 -2 384.47 8.15 1 5 -1 3.38 0.74 1 5 -1 3.13 0.55 1 5 -1 4.44 0.64 -1 -5 1 6.3 2.52 1 5 0 786.45 14.51 1 5 0 754.86 14.92 1 5 0 784.61 13.7 1 5 0 798.28 13.41 1 5 1 3.18 0.51 1 5 1 4.17 0.79 1 5 1 3.74 0.67 -1 -5 -1 5.57 2.56 1 5 2 24.26 1.66 1 5 2 24.32 1.63 -1 -5 -2 21.76 1.47 1 5 2 25.84 1.55 -1 -5 -2 23.39 4.52 1 5 3 3.43 0.65 -1 -5 -3 1.76 1.49 1 5 3 3.37 1 1 5 3 3.77 0.7 1 5 3 4.25 0.77 -1 -5 -3 3.84 0.61 1 5 3 3.36 0.93 -1 -5 -4 29.37 4.97 1 5 4 35.48 2.17 1 5 5 114.05 4.31 -1 -5 -5 113.71 9.72 1 5 6 10.43 1.34 -1 -5 -6 10.61 3.1 1 5 7 68.93 3.5 1 5 8 2.36 0.77 1 5 9 25.88 2.35 1 5 10 12.97 1.75 -1 -5 -11 26.29 2.4 1 5 11 23.3 2.4 -1 -5 -12 11.09 1.63 1 5 12 11.8 1.78 1 5 13 30.54 2.9 -1 -5 -13 28.46 2.77 -1 -5 -14 4.53 1.29 1 5 14 5.11 1.31 -1 -5 -15 7.79 1.61 1 5 15 5.85 1.41 1 6 -13 4.1 1.48 1 6 -13 0.27 0.91 1 6 -12 9.64 2 1 6 -12 14.77 2.31 1 6 -11 4.48 1.39 1 6 -11 5.37 1.53 1 6 -10 8.65 1.69 1 6 -10 7.28 1.41 1 6 -9 11.09 1.79 1 6 -9 10.1 1.66 1 6 -8 2.28 0.95 1 6 -8 2.39 0.84 1 6 -7 0.42 0.53 1 6 -7 0.29 0.56 1 6 -6 0.85 0.56 1 6 -6 0.38 0.44 1 6 -5 4.28 0.86 1 6 -5 3 0.75 1 6 -4 3.13 0.92 1 6 -4 2.21 0.86 1 6 -4 1.64 0.59 1 6 -3 168.93 6.03 1 6 -3 163.13 5.96 1 6 -3 169.74 5.01 1 6 -2 5.04 0.99 1 6 -2 3.52 0.87 1 6 -1 25.48 2.04 1 6 -1 23.07 1.52 1 6 -1 22.52 2.05 1 6 -1 23.62 2.11 1 6 0 4 0.76 1 6 0 4.75 0.92 1 6 0 3.95 0.88 1 6 0 5.13 1.07 1 6 1 28.4 1.87 1 6 1 28.78 2.37 1 6 1 28.05 2.06 1 6 2 37.63 2.37 -1 -6 -2 32.65 2.01 1 6 2 33.49 2.11 1 6 3 127.74 4.46 1 6 3 115.24 4.31 1 6 4 5.04 0.9 1 6 4 5.9 0.99 1 6 5 16.9 1.68 1 6 6 17.53 1.81 1 6 7 8.16 1.2 1 6 8 4.91 1.14 1 6 9 14.67 1.89 1 6 10 0.72 0.72 1 6 11 0.24 0.55 -1 -6 -12 3.24 0.99 1 6 12 2.32 0.88 -1 -6 -13 0.98 0.78 1 6 13 -0.32 0.65 -1 -6 -14 1.08 0.64 1 6 14 1.95 0.93 1 7 -12 17.89 2.58 1 7 -11 25.31 2.94 1 7 -10 0.97 0.56 1 7 -9 8 1.52 1 7 -8 2.9 1.21 1 7 -7 2.47 1.03 1 7 -6 8.4 1.47 1 7 -5 51.28 3.52 1 7 -4 0.72 0.59 1 7 -4 1.43 0.75 1 7 -3 153.04 6.16 1 7 -3 148.15 6.02 1 7 -2 29.02 2.52 1 7 -2 30.54 2.59 1 7 -1 18.19 1.87 1 7 -1 16.99 1.96 1 7 -1 22.48 2.36 1 7 0 1.55 0.81 1 7 0 0.33 0.33 -1 -7 -1 70.97 3.37 1 7 1 81.59 4.28 1 7 1 73.88 3.37 1 7 1 75.57 3.76 1 7 2 127.98 4.93 1 7 2 120.1 5.12 1 7 2 117.23 4.49 1 7 3 240.49 7.12 1 7 3 230.02 6.83 1 7 4 -0.06 0.49 1 7 4 0.14 0.47 1 7 5 3.32 0.93 1 7 5 2.49 0.74 1 7 6 1.26 0.65 1 7 7 0.03 0.78 1 7 8 -0.77 0.76 1 7 9 0.42 0.61 1 7 10 1.84 0.91 1 7 11 20.47 2.54 1 7 12 1.25 0.8 1 7 13 4.33 1.18 1 8 -11 72.44 5.24 1 8 -10 25.19 2.98 1 8 -9 4.63 1.35 1 8 -8 5.55 1.5 1 8 -7 64.89 4.46 1 8 -6 59.78 4.14 1 8 -5 50.73 3.82 1 8 -4 22.67 2.52 1 8 -4 18.4 2.25 1 8 -3 0.83 0.69 1 8 -3 1.28 0.85 1 8 -2 12.13 1.81 1 8 -2 17.2 2.16 1 8 -1 5.14 1.32 1 8 -1 9.97 1.9 1 8 0 27.29 2.43 1 8 0 28.01 2.92 1 8 1 115.6 5.53 1 8 1 91.48 4.55 1 8 2 28.36 2.28 1 8 2 26.76 2.39 1 8 2 26.56 2.59 1 8 3 73.94 3.8 1 8 3 75.12 4.05 1 8 4 85.87 4.28 1 8 4 87.03 4.35 1 8 5 -0.14 0.57 1 8 5 -0.07 0.41 1 8 6 1.84 0.73 1 8 7 3.5 1.05 1 8 8 10.07 1.74 1 8 9 0.14 0.56 1 8 10 0.96 0.8 1 8 11 0.45 0.6 1 8 12 1.64 0.99 1 9 -10 -0.13 0.75 1 9 -9 0.02 0.92 1 9 -8 5.01 1.41 1 9 -7 20.43 2.78 1 9 -6 0.24 0.65 1 9 -5 1.26 0.85 1 9 -4 9.06 1.82 1 9 -4 6.64 1.5 1 9 -3 1.77 0.93 1 9 -3 -0.73 0.96 1 9 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7 6 2.11 1.02 4 7 6 2.41 1.03 4 7 7 51.81 3.99 4 7 7 55.9 3.76 4 7 8 8.5 1.78 4 7 8 6.3 1.4 4 7 9 11.81 1.92 4 7 10 0.04 0.68 4 7 11 2.71 1.1 4 7 12 3.2 1.16 4 7 13 0.08 0.62 4 8 -9 -0.9 0.74 -4 -8 9 0.14 0.81 4 8 -8 2.06 1.04 -4 -8 8 0.86 0.95 4 8 -7 29.11 3.08 -4 -8 7 23.89 2.87 4 8 -6 1.31 0.81 -4 -8 6 -0.52 0.7 -4 -8 5 1.45 1.13 4 8 -5 -1.11 0.97 4 8 -5 -0.59 0.76 4 8 -4 26.76 2.72 4 8 -4 24.42 2.57 -4 -8 4 26.6 2.92 -4 -8 3 13.28 2.1 4 8 -3 10.86 1.76 4 8 -3 12.28 1.81 4 8 -2 407.21 11.38 4 8 -2 404.44 11.69 -4 -8 1 196.51 7.58 4 8 -1 202.08 7.71 -4 -8 0 1.9 1.06 4 8 0 1.34 0.86 4 8 1 0.06 0.84 4 8 1 1.87 0.71 4 8 2 3.25 0.97 4 8 3 5.94 1.27 4 8 4 0.92 0.76 4 8 5 17.17 2.16 4 8 6 8.63 1.6 4 8 7 8.66 1.6 4 8 8 1.75 0.93 4 8 9 4.54 1.35 4 8 10 7.65 1.65 4 8 11 -0.67 0.67 4 8 12 4.76 1.41 -4 -9 8 -0.22 0.82 -4 -9 7 0.9 0.86 -4 -9 6 0.53 0.86 -4 -9 5 4.49 1.29 4 9 -5 9.78 1.95 -4 -9 4 0.49 0.73 4 9 -4 3.8 1.24 -4 -9 3 3.1 1.24 4 9 -3 6.51 1.49 4 9 -2 18.64 2.5 -4 -9 2 20.37 2.49 -4 -9 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