#------------------------------------------------------------------------------ #$Date: 2020-05-12 06:55:49 +0300 (Tue, 12 May 2020) $ #$Revision: 251980 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/15/74/7157499.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_7157499 loop_ _publ_author_name 'Cui, Hai-Lei' _publ_section_title ; FeCl2 Catalyzed Direct Modification of Dihydropyrrolo[2,1-a]isoquinolines with Phenols ; _journal_name_full 'Organic & Biomolecular Chemistry' _journal_paper_doi 10.1039/D0OB00917B _journal_year 2020 _chemical_formula_moiety 'C30 H29 N O7' _chemical_formula_sum 'C30 H29 N O7' _chemical_formula_weight 515.54 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2yn' _space_group_name_H-M_alt 'P 1 21/n 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _audit_creation_date 2020-03-10 _audit_creation_method ; Olex2 1.3-alpha (compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032) ; _audit_update_record ; 2020-03-13 deposited with the CCDC. 2020-05-11 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 107.486(5) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 11.6950(5) _cell_length_b 14.5145(5) _cell_length_c 15.6982(7) _cell_measurement_reflns_used 4816 _cell_measurement_temperature 99.98(10) _cell_measurement_theta_max 28.8290 _cell_measurement_theta_min 2.5840 _cell_volume 2541.59(19) _computing_cell_refinement 'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)' _computing_data_collection 'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)' _computing_data_reduction 'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)' _computing_molecular_graphics 'Olex2 1.3-alpha (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.3-alpha (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 99.98(10) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 5.2684 _diffrn_detector_type AtlasS2 _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 1.000 _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 -15.00 11.00 1.00 5.00 -- -11.59 -99.00 60.00 26 2 \w -55.00 24.00 1.00 5.00 -- 11.74 -37.00 -90.00 79 3 \w -8.00 83.00 1.00 5.00 -- 11.74 37.00 90.00 91 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'SuperNova, Dual, Cu at zero, AtlasS2' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.0236782000 _diffrn_orient_matrix_UB_12 -0.0429900000 _diffrn_orient_matrix_UB_13 -0.0187420000 _diffrn_orient_matrix_UB_21 0.0330756000 _diffrn_orient_matrix_UB_22 -0.0225565000 _diffrn_orient_matrix_UB_23 0.0398440000 _diffrn_orient_matrix_UB_31 -0.0489118000 _diffrn_orient_matrix_UB_32 0.0054879000 _diffrn_orient_matrix_UB_33 0.0174704000 _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 0.0300 _diffrn_reflns_av_unetI/netI 0.0433 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 1.000 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_number 11091 _diffrn_reflns_point_group_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 1.000 _diffrn_reflns_theta_full 24.999 _diffrn_reflns_theta_max 24.999 _diffrn_reflns_theta_min 2.303 _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_source_type 'SuperNova (Mo) X-ray Source' _exptl_absorpt_coefficient_mu 0.096 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.70414 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.38.43f (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 1.347 _exptl_crystal_description block _exptl_crystal_F_000 1088 _exptl_crystal_size_max 0.14 _exptl_crystal_size_mid 0.13 _exptl_crystal_size_min 0.12 _refine_diff_density_max 0.232 _refine_diff_density_min -0.232 _refine_diff_density_rms 0.045 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.010 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 349 _refine_ls_number_reflns 4476 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.010 _refine_ls_R_factor_all 0.0525 _refine_ls_R_factor_gt 0.0407 _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^)+(0.0530P)^2^+0.5240P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0972 _refine_ls_wR_factor_ref 0.1054 _reflns_Friedel_coverage 0.000 _reflns_number_gt 3690 _reflns_number_total 4476 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d0ob00917b3.cif _cod_data_source_block c2001078 _cod_database_code 7157499 _shelx_shelxl_version_number 2018/3 _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. ; _reflns_odcompleteness_completeness 99.91 _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 C(H,H) groups At 1.5 times of: All C(H,H,H) groups, All O(H) groups 2.a Secondary CH2 refined with riding coordinates: C7(H7A,H7B), C8(H8A,H8B) 2.b Aromatic/amide H refined with riding coordinates: C4(H4), C18(H18), C20(H20), C14(H14), C1(H1), C24(H24), C23(H23), C22(H22), C21(H21) 2.c Idealised Me refined as rotating group: C26(H26A,H26B,H26C), C25(H25A,H25B,H25C), C28(H28A,H28B,H28C), C27(H27A,H27B, H27C), C30(H30A,H30B,H30C) 2.d Idealised tetrahedral OH refined as rotating group: O6(H6) ; _shelx_res_file ; TITL c2001078_a.res in P2(1)/n c2001078.res created by SHELXL-2018/3 at 13:01:34 on 10-Mar-2020 REM Old TITL C2001078 in P2(1)/n REM SHELXT solution in P2(1)/n: R1 0.135, Rweak 0.154, Alpha 0.026 REM 0.687 for 220 systematic absences, Orientation as input REM Formula found by SHELXT: C31 O7 CELL 0.71073 11.695 14.5145 15.6982 90 107.486 90 ZERR 4 0.0005 0.0005 0.0007 0 0.005 0 LATT 1 SYMM 0.5-X,0.5+Y,0.5-Z SFAC C H N O UNIT 120 116 4 28 L.S. 20 PLAN 5 CONF BOND list 4 MORE -1 BOND $H fmap 2 acta OMIT -3 50 REM REM REM WGHT 0.053000 0.524000 FVAR 0.53016 O1 4 -0.093592 0.616107 0.242894 11.00000 0.01995 0.02472 = 0.01716 0.00470 0.00036 0.00244 O4 4 0.568227 0.392982 0.793908 11.00000 0.01998 0.02532 = 0.01645 -0.00117 0.00002 0.00262 O6 4 0.498254 0.648627 1.055073 11.00000 0.03003 0.02480 = 0.01382 -0.00438 0.00440 -0.00373 AFIX 147 H6 2 0.456326 0.624343 1.082249 11.00000 -1.50000 AFIX 0 O2 4 0.087842 0.521716 0.226414 11.00000 0.02586 0.02702 = 0.01327 0.00032 0.00580 0.00172 O5 4 0.641533 0.683214 0.959209 11.00000 0.02041 0.02677 = 0.02107 -0.00750 0.00273 -0.00460 O7 4 0.289119 0.559140 0.988815 11.00000 0.02509 0.03226 = 0.01491 -0.00250 0.00722 -0.00490 O3 4 0.479723 0.294454 0.684289 11.00000 0.03504 0.01614 = 0.02446 -0.00107 -0.00614 0.00649 N1 3 0.276933 0.555104 0.632559 11.00000 0.01580 0.01518 = 0.01355 -0.00177 0.00347 0.00167 C5 1 0.173829 0.537775 0.472920 11.00000 0.01554 0.01368 = 0.01500 -0.00043 0.00475 -0.00301 C6 1 0.079955 0.593020 0.481131 11.00000 0.01812 0.01256 = 0.01798 0.00008 0.00623 -0.00251 C10 1 0.348440 0.436896 0.572979 11.00000 0.01353 0.01745 = 0.01306 0.00037 0.00432 -0.00203 C11 1 0.414546 0.445878 0.665643 11.00000 0.01441 0.01684 = 0.01493 0.00059 0.00470 -0.00114 C12 1 0.369293 0.520951 0.700270 11.00000 0.01399 0.01686 = 0.01409 0.00004 0.00274 -0.00175 C2 1 -0.007726 0.593830 0.320858 11.00000 0.01727 0.01546 = 0.01573 0.00462 0.00101 -0.00331 C13 1 0.400759 0.557743 0.792568 11.00000 0.02003 0.01386 = 0.01415 0.00016 0.00242 0.00373 C29 1 0.496324 0.378757 0.721543 11.00000 0.01662 0.01948 = 0.01549 -0.00060 0.00697 -0.00102 C19 1 0.370178 0.367662 0.509646 11.00000 0.01713 0.01509 = 0.01074 0.00179 0.00177 0.00309 C9 1 0.264327 0.506489 0.554005 11.00000 0.01660 0.01537 = 0.01233 -0.00177 0.00544 -0.00304 C15 1 0.355843 0.572205 0.931385 11.00000 0.02189 0.01730 = 0.01471 0.00289 0.00570 0.00261 C4 1 0.178510 0.514026 0.387245 11.00000 0.01638 0.01343 = 0.01853 -0.00098 0.00648 -0.00001 AFIX 43 H4 2 0.242332 0.479151 0.381203 11.00000 -1.20000 AFIX 0 C17 1 0.538709 0.635644 0.916479 11.00000 0.01643 0.01582 = 0.01880 -0.00400 0.00132 0.00131 C18 1 0.507525 0.605282 0.828586 11.00000 0.01712 0.01830 = 0.01778 0.00011 0.00506 0.00260 AFIX 43 H18 2 0.557978 0.616738 0.793921 11.00000 -1.20000 AFIX 0 C20 1 0.474127 0.372641 0.484113 11.00000 0.01852 0.01755 = 0.02382 -0.00250 0.00664 -0.00211 AFIX 43 H20 2 0.529783 0.418944 0.507197 11.00000 -1.20000 AFIX 0 C14 1 0.323876 0.542045 0.843677 11.00000 0.01893 0.01743 = 0.01608 -0.00001 0.00250 -0.00047 AFIX 43 H14 2 0.251536 0.511511 0.819090 11.00000 -1.20000 AFIX 0 C3 1 0.089800 0.541770 0.312261 11.00000 0.02161 0.01590 = 0.01224 0.00118 0.00577 -0.00348 C7 1 0.077795 0.621923 0.572672 11.00000 0.01728 0.01584 = 0.01906 0.00089 0.00757 0.00084 AFIX 23 H7A 2 0.038796 0.574651 0.597703 11.00000 -1.20000 H7B 2 0.032068 0.678417 0.568256 11.00000 -1.20000 AFIX 0 C8 1 0.204076 0.637044 0.633593 11.00000 0.02165 0.01367 = 0.01638 -0.00172 0.00708 0.00235 AFIX 23 H8A 2 0.239186 0.690229 0.613569 11.00000 -1.20000 H8B 2 0.202158 0.648825 0.693972 11.00000 -1.20000 AFIX 0 C1 1 -0.009804 0.619925 0.404869 11.00000 0.01616 0.01304 = 0.02108 0.00110 0.00672 0.00043 AFIX 43 H1 2 -0.072559 0.656275 0.410611 11.00000 -1.20000 AFIX 0 C16 1 0.463684 0.618460 0.968822 11.00000 0.02572 0.01473 = 0.01240 -0.00198 0.00223 0.00354 C24 1 0.289892 0.297102 0.475180 11.00000 0.01595 0.02230 = 0.01972 -0.00210 0.00692 -0.00198 AFIX 43 H24 2 0.219853 0.292849 0.491399 11.00000 -1.20000 AFIX 0 C23 1 0.312145 0.232827 0.417017 11.00000 0.02303 0.02035 = 0.02107 -0.00462 0.00245 -0.00166 AFIX 43 H23 2 0.257782 0.185361 0.395282 11.00000 -1.20000 AFIX 0 C22 1 0.415063 0.238921 0.391056 11.00000 0.03009 0.02146 = 0.01766 -0.00424 0.00843 0.00631 AFIX 43 H22 2 0.429848 0.196173 0.351504 11.00000 -1.20000 AFIX 0 C21 1 0.495527 0.309323 0.424659 11.00000 0.02368 0.02518 = 0.02923 -0.00238 0.01605 -0.00053 AFIX 43 H21 2 0.564574 0.314228 0.407223 11.00000 -1.20000 AFIX 0 C26 1 -0.193505 0.667498 0.251757 11.00000 0.02185 0.01964 = 0.03271 0.00503 0.00179 0.00342 AFIX 137 H26A 2 -0.252341 0.673612 0.194315 11.00000 -1.50000 H26B 2 -0.167121 0.727528 0.275204 11.00000 -1.50000 H26C 2 -0.228228 0.635907 0.291711 11.00000 -1.50000 AFIX 0 C25 1 0.198661 0.492236 0.215603 11.00000 0.03312 0.03582 = 0.01913 0.00054 0.01293 0.00119 AFIX 137 H25A 2 0.190785 0.487273 0.153116 11.00000 -1.50000 H25B 2 0.219927 0.433287 0.243618 11.00000 -1.50000 H25C 2 0.260053 0.536253 0.242779 11.00000 -1.50000 AFIX 0 C28 1 0.712768 0.714448 0.905823 11.00000 0.02107 0.03245 = 0.03238 -0.01247 0.01042 -0.00657 AFIX 137 H28A 2 0.664033 0.749981 0.856688 11.00000 -1.50000 H28B 2 0.745387 0.662387 0.883368 11.00000 -1.50000 H28C 2 0.776981 0.752065 0.941366 11.00000 -1.50000 AFIX 0 C27 1 0.175104 0.516418 0.952288 11.00000 0.03046 0.05694 = 0.02331 -0.00359 0.01186 -0.01397 AFIX 137 H27A 2 0.130402 0.549053 0.899616 11.00000 -1.50000 H27B 2 0.131983 0.517764 0.995544 11.00000 -1.50000 H27C 2 0.186139 0.453664 0.937104 11.00000 -1.50000 AFIX 0 C30 1 0.555435 0.222833 0.734287 11.00000 0.04532 0.01940 = 0.03560 0.00175 -0.00461 0.00908 AFIX 137 H30A 2 0.534134 0.165144 0.703719 11.00000 -1.50000 H30B 2 0.545148 0.218655 0.792576 11.00000 -1.50000 H30C 2 0.637628 0.236831 0.739983 11.00000 -1.50000 AFIX 0 HKLF 4 REM c2001078_a.res in P2(1)/n REM wR2 = 0.1054, GooF = S = 1.010, Restrained GooF = 1.010 for all data REM R1 = 0.0407 for 3690 Fo > 4sig(Fo) and 0.0525 for all 4476 data REM 349 parameters refined using 0 restraints END WGHT 0.0432 0.5922 REM Highest difference peak 0.232, deepest hole -0.232, 1-sigma level 0.045 Q1 1 0.4335 0.5658 0.9573 11.00000 0.05 0.23 Q2 1 0.2815 0.4418 0.5725 11.00000 0.05 0.21 Q3 1 0.1108 0.5473 0.4824 11.00000 0.05 0.19 Q4 1 0.3772 0.4606 0.6935 11.00000 0.05 0.19 Q5 1 0.1407 0.5939 0.4737 11.00000 0.05 0.19 ; _shelx_res_checksum 97823 _shelx_hkl_file ; 0 0 -2 460.11 9.90 0 0 -2 457.92 10.35 0 0 -3 0.08 0.42 0 0 3 0.75 0.74 0 0 4 2909.59 45.33 0 0 -4 2973.90 44.60 0 0 5 0.74 0.77 0 0 -5 3.08 1.43 0 0 -6 421.87 15.17 0 0 6 408.15 15.46 0 0 -7 3.56 1.67 0 0 7 0.20 1.28 0 0 -8 434.68 17.95 0 0 -9 1.92 1.96 0 0 10 108.88 9.97 0 0 -10 99.12 9.46 0 0 11 3.27 2.31 0 0 -11 4.33 2.69 0 0 -12 19.25 4.93 0 0 -13 5.84 4.35 0 0 -14 1.92 2.25 0 0 -14 8.70 4.46 0 0 -15 2.70 3.15 0 0 -15 0.91 1.57 0 0 -16 8.22 3.04 0 0 -16 2.97 3.78 0 0 -17 -0.39 1.90 0 0 -17 -2.63 2.82 0 0 -18 11.05 4.75 0 0 -19 -2.11 2.88 0 0 -20 69.20 12.13 0 -1 -2 141.43 4.92 0 1 -2 132.41 5.41 0 1 2 138.82 4.92 0 -1 2 143.03 4.83 0 1 -2 158.28 5.07 0 1 -3 55.89 3.41 0 1 3 55.51 3.63 0 -1 -3 56.42 3.65 0 1 -3 56.73 4.16 0 -1 4 752.39 18.42 0 1 -4 755.51 16.40 0 1 4 770.23 17.48 0 1 -4 790.16 19.43 0 -1 -4 756.13 17.42 0 1 5 632.10 17.07 0 1 5 627.43 18.08 0 -1 5 610.22 17.78 0 1 -5 642.47 18.99 0 -1 -5 634.38 17.35 0 1 6 661.82 20.14 0 -1 -6 682.72 19.47 0 1 -6 676.68 20.53 0 1 -6 684.76 21.44 0 -1 6 659.54 20.05 0 -1 7 934.26 26.18 0 1 7 952.14 26.54 0 1 -7 924.52 27.50 0 -1 -7 930.22 25.21 0 1 -7 1000.81 26.99 0 -1 -8 137.69 9.67 0 1 -8 142.74 10.28 0 1 8 153.15 10.63 0 -1 9 10.22 3.19 0 -1 -9 10.53 3.03 0 1 -9 7.69 2.61 0 1 -10 23.73 4.88 0 -1 -10 35.95 5.81 0 1 -10 28.83 4.53 0 -1 10 26.66 4.88 0 1 10 23.95 4.69 0 -1 -11 383.39 19.53 0 1 -11 408.83 21.05 0 1 11 396.29 20.52 0 -1 11 399.35 20.23 0 1 12 163.44 13.48 0 1 -12 153.42 13.38 0 -1 -12 151.39 12.71 0 1 -13 145.35 11.93 0 1 -13 152.37 14.09 0 -1 -13 133.05 12.55 0 1 -14 135.47 13.78 0 1 -14 125.47 11.48 0 -1 -14 121.53 12.48 0 -1 -15 60.73 9.01 0 1 -15 53.26 9.18 0 1 -15 62.35 8.35 0 1 -16 65.79 10.57 0 1 -16 47.04 7.58 0 -1 -16 58.00 9.47 0 1 -17 3.68 2.82 0 1 -17 8.51 3.90 0 -1 -17 13.07 4.45 0 -1 -17 9.45 5.18 0 1 -18 0.30 3.03 0 -1 -18 1.49 3.47 0 1 -19 153.15 17.64 0 -1 -19 148.24 16.76 0 -1 -20 16.97 6.01 0 1 -20 6.88 4.66 0 -2 0 4607.63 55.38 0 2 0 4620.32 55.35 0 2 -1 725.69 13.53 0 -2 -2 487.58 10.27 0 2 -2 469.36 11.71 0 2 2 471.62 10.44 0 2 -3 4676.86 64.66 0 -2 -3 4772.74 60.96 0 2 3 4616.87 61.83 0 2 -4 325.29 12.33 0 -2 4 301.02 10.23 0 2 -4 329.76 11.53 0 -2 -4 332.30 10.64 0 2 4 338.67 11.03 0 2 -5 167.66 7.89 0 2 -5 153.70 9.19 0 2 5 147.25 7.86 0 -2 -5 163.49 8.10 0 2 6 1000.31 24.28 0 2 -6 1013.42 22.85 0 -2 6 935.92 24.98 0 -2 -6 996.98 24.04 0 2 -6 975.29 26.94 0 2 -7 89.45 6.64 0 -2 -7 96.25 7.30 0 2 -7 96.38 8.38 0 2 7 94.13 7.30 0 -2 7 99.99 8.04 0 2 8 27.41 4.21 0 2 8 23.87 4.26 0 -2 -8 19.45 3.61 0 2 -8 26.53 3.94 0 2 -8 29.63 5.04 0 -2 9 102.47 9.08 0 -2 -9 105.49 8.71 0 2 -9 104.21 8.07 0 2 -9 103.50 10.06 0 2 -9 101.64 9.47 0 2 -10 -0.29 1.12 0 -2 10 -0.38 1.07 0 -2 -10 -1.99 1.87 0 2 10 0.98 1.63 0 2 -10 -1.23 1.06 0 2 11 10.80 3.53 0 -2 -11 14.96 3.61 0 2 -11 6.86 2.16 0 -2 11 11.44 3.13 0 -2 -12 151.23 12.58 0 2 -12 150.03 13.71 0 2 12 155.75 13.30 0 -2 -13 57.73 8.01 0 2 -13 60.20 7.56 0 2 -13 60.44 8.96 0 2 -14 133.05 11.77 0 2 -14 146.27 14.71 0 -2 -14 133.86 12.91 0 2 -15 84.02 11.70 0 -2 -15 113.11 12.41 0 2 -15 100.19 10.93 0 -2 -16 7.64 3.75 0 2 -16 6.05 4.14 0 2 -16 -0.01 2.93 0 2 -17 22.87 6.75 0 -2 -17 17.14 5.25 0 -2 -18 84.15 11.91 0 2 -18 50.38 10.23 0 2 -19 2.42 4.10 0 -2 -19 -0.51 3.52 0 2 -20 -2.55 4.37 0 -3 0 2.07 0.83 0 3 0 0.46 0.66 0 3 -1 31.31 2.75 0 -3 1 31.50 2.67 0 3 -2 2179.66 34.89 0 3 2 2271.83 32.71 0 -3 2 2205.81 34.32 0 3 3 8.93 1.72 0 3 -3 8.10 1.95 0 -3 -3 8.61 1.50 0 -3 -4 610.87 14.97 0 3 4 581.13 15.69 0 -3 4 622.30 16.72 0 3 -4 596.60 17.87 0 -3 5 912.33 21.71 0 -3 -5 901.66 20.68 0 3 -5 914.84 24.67 0 3 5 895.53 21.70 0 3 6 215.43 10.51 0 3 -6 227.64 12.53 0 -3 -6 210.59 9.83 0 3 7 120.72 8.35 0 3 -7 112.79 9.46 0 3 -7 114.77 9.08 0 -3 -7 117.38 7.92 0 -3 -8 285.45 13.48 0 3 -8 295.83 16.49 0 3 -8 305.82 14.74 0 3 8 299.86 14.23 0 -3 -9 519.33 19.71 0 3 -9 523.11 23.38 0 -3 9 479.30 20.50 0 3 -9 534.33 20.34 0 3 9 500.20 19.65 0 3 -10 190.56 12.58 0 3 -10 175.44 14.19 0 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2.58 0 4 8 9.46 2.69 0 -4 8 5.12 2.10 0 4 -8 6.74 3.09 0 -4 -8 5.27 1.80 0 -4 -9 2.60 1.53 0 4 -9 -1.46 1.69 0 -4 9 1.04 1.91 0 4 9 1.90 1.48 0 -4 -10 15.73 3.59 0 4 -10 14.53 4.23 0 -4 10 10.39 3.43 0 -4 -11 26.02 4.77 0 4 11 20.05 4.45 0 4 -11 17.35 4.36 0 4 -12 176.33 15.39 0 -4 -12 197.29 13.59 0 4 -12 202.05 17.40 0 4 12 196.71 15.17 0 -4 -13 115.73 10.73 0 4 -13 140.31 14.39 0 -4 -14 25.10 5.27 0 4 -14 25.03 6.22 0 -4 -15 20.14 5.50 0 4 -15 11.54 4.93 0 -4 -16 25.64 5.87 0 4 -16 20.28 6.31 0 -4 -17 3.11 2.65 0 4 -17 11.45 5.08 0 -4 -18 96.39 12.03 0 4 -18 75.33 12.80 0 4 -19 1.05 2.81 0 4 -20 39.96 10.24 0 5 0 3.21 1.32 0 -5 0 4.81 1.47 0 5 1 47.43 3.79 0 -5 1 49.51 4.20 0 5 -1 41.24 3.94 0 -5 2 783.94 19.24 0 5 -2 787.96 19.68 0 5 3 130.21 6.95 0 5 -3 134.72 8.06 0 -5 3 140.60 7.89 0 -5 4 4.71 1.50 0 5 -4 7.46 2.08 0 5 4 8.43 1.94 0 5 -5 134.89 9.61 0 5 5 129.70 8.01 0 -5 5 138.27 10.30 0 -5 -5 146.69 7.77 0 -5 -6 641.24 18.23 0 5 6 612.56 19.87 0 5 -6 642.72 23.09 0 -5 6 660.75 21.19 0 5 -7 24.25 4.56 0 -5 -7 27.85 3.81 0 -5 7 31.92 4.64 0 5 7 31.33 4.48 0 5 8 387.38 17.10 0 -5 8 361.76 17.26 0 5 -8 388.46 20.06 0 -5 -8 367.85 14.97 0 5 9 142.61 10.73 0 -5 9 142.47 11.11 0 5 -9 142.44 12.67 0 -5 -9 152.14 9.94 0 -5 -10 144.15 10.30 0 5 -10 126.47 12.51 0 -5 -11 66.26 7.31 0 5 -11 60.89 9.27 0 5 11 53.73 7.09 0 5 12 13.08 3.81 0 -5 -12 13.35 3.39 0 5 -12 19.24 5.34 0 5 12 10.94 3.31 0 -5 -13 205.79 14.11 0 5 -13 200.38 17.81 0 5 -13 211.19 18.63 0 -5 -14 3.54 2.51 0 5 -14 1.05 2.97 0 5 -15 53.23 9.95 0 -5 -15 68.45 9.00 0 5 -16 20.63 6.47 0 -5 -16 13.17 4.57 0 5 -17 3.53 4.37 0 -5 -17 1.25 3.15 0 -5 -18 49.24 8.41 0 5 -18 45.59 10.64 0 5 -19 -0.24 4.39 0 -6 0 20.83 3.12 0 6 0 22.10 3.30 0 6 -1 394.00 13.35 0 -6 1 382.75 13.20 0 6 1 395.81 12.67 0 6 2 44.16 4.07 0 6 -2 40.68 4.39 0 -6 2 40.60 4.30 0 6 -3 112.31 7.78 0 6 3 109.74 6.97 0 -6 3 100.82 7.12 0 6 4 92.87 6.65 0 -6 4 92.17 7.13 0 6 -4 95.85 7.75 0 6 5 744.20 21.21 0 -6 5 760.84 22.82 0 6 -5 742.37 24.11 0 6 6 201.67 11.17 0 -6 6 217.69 13.14 0 6 -6 198.54 12.80 0 -6 -7 109.30 7.69 0 6 -7 120.44 10.52 0 -6 7 114.00 9.26 0 -6 7 112.25 9.23 0 6 7 106.79 8.46 0 -6 8 23.33 4.56 0 6 8 19.72 3.77 0 -6 8 18.06 3.79 0 6 -8 22.62 4.67 0 -6 -8 22.98 3.83 0 -6 -9 145.75 9.87 0 6 -9 143.68 13.21 0 6 -10 220.42 17.12 0 -6 -10 224.55 12.91 0 6 -11 30.61 6.77 0 6 11 22.75 4.97 0 -6 -11 29.45 4.83 0 6 -12 264.16 20.48 0 6 12 244.05 16.09 0 -6 -12 260.51 15.14 0 6 13 98.92 10.56 0 -6 -13 103.95 9.86 0 6 -13 110.68 13.90 0 6 -14 2.76 3.42 0 -6 -14 8.33 3.23 0 6 -14 2.27 3.01 0 6 -15 26.30 7.22 0 -6 -15 25.59 5.60 0 -6 -16 8.96 3.69 0 6 -16 4.54 5.11 0 -6 -17 26.75 6.15 0 6 -17 31.56 8.46 0 6 -18 17.09 7.76 0 -7 0 11.73 2.77 0 7 0 18.21 3.22 0 7 1 32.20 3.76 0 7 -1 26.42 3.55 0 -7 1 27.29 3.65 0 7 -2 92.19 7.15 0 -7 2 99.37 7.23 0 7 2 103.48 6.72 0 7 -3 95.35 7.71 0 -7 3 93.02 7.24 0 7 3 87.11 6.67 0 7 3 85.97 6.30 0 7 -4 2.29 1.71 0 -7 4 -0.04 0.89 0 7 4 1.06 0.85 0 7 5 147.30 9.26 0 -7 5 143.73 10.04 0 7 -5 146.42 10.70 0 -7 6 15.79 3.95 0 7 -6 17.71 4.26 0 -7 6 22.17 4.34 0 7 6 19.76 3.73 0 7 7 21.17 3.80 0 -7 7 23.92 4.67 0 -7 7 32.75 5.42 0 7 -7 23.39 4.93 0 -7 8 11.03 3.21 0 7 8 15.58 3.51 0 7 -8 11.36 3.63 0 -7 8 10.87 3.11 0 -7 -9 422.40 17.24 0 7 -9 431.50 23.45 0 -7 9 391.03 19.66 0 -7 -10 8.86 2.74 0 7 -10 8.21 3.83 0 -7 -11 21.67 4.21 0 7 -11 14.51 5.30 0 7 11 12.22 3.72 0 7 12 9.68 3.30 0 7 -12 7.51 4.29 0 -7 -12 15.19 3.62 0 7 -13 19.43 6.49 0 7 13 19.40 4.62 0 -7 -13 19.22 4.29 0 -7 -14 19.68 4.53 0 7 -14 14.45 5.25 0 7 -14 17.00 5.94 0 7 -15 39.78 9.54 0 7 -15 42.99 9.49 0 -7 -15 44.12 7.16 0 7 -16 3.19 2.52 0 -7 -16 6.23 3.97 0 7 -17 1.81 3.85 0 7 -18 22.72 7.91 0 8 0 415.15 15.25 0 -8 0 407.41 15.36 0 8 -1 62.87 6.01 0 -8 1 66.83 6.33 0 8 1 70.68 5.99 0 -8 2 90.41 7.37 0 8 -2 97.91 7.81 0 8 2 99.33 7.11 0 8 -3 1.23 1.44 0 8 3 2.05 1.31 0 -8 3 -0.22 1.12 0 8 3 1.05 0.97 0 8 4 92.25 7.10 0 8 -4 80.24 7.90 0 8 4 90.33 7.36 0 -8 4 93.17 8.08 0 -8 5 369.54 16.96 0 8 -5 365.44 17.65 0 8 5 374.28 15.85 0 -8 6 545.54 21.38 0 8 6 540.85 19.92 0 8 -6 546.27 23.09 0 -8 7 51.60 6.86 0 -8 7 65.00 8.57 0 8 -7 50.30 7.44 0 -8 8 100.55 10.19 0 8 -8 95.70 10.61 0 -8 9 102.72 10.44 0 8 -9 93.22 11.07 0 8 -10 39.54 7.63 0 8 10 45.14 6.61 0 -8 10 46.80 7.33 0 8 11 59.37 8.03 0 8 -11 63.56 10.32 0 -8 -12 30.08 5.36 0 8 12 23.60 5.15 0 8 -12 28.30 7.26 0 8 -13 26.81 7.23 0 -8 -13 37.52 6.17 0 -8 -14 1.27 1.43 0 8 -14 -3.68 3.03 0 8 -15 23.23 7.65 0 -8 -15 15.08 3.96 0 8 -15 20.31 6.86 0 -8 -16 20.39 5.18 0 8 -16 36.65 8.87 0 8 -17 8.82 4.76 0 9 0 1.09 1.31 0 -9 1 113.36 8.55 0 9 1 115.17 8.23 0 9 -1 108.32 8.46 0 -9 2 141.32 9.85 0 9 -2 152.57 10.26 0 9 2 146.37 9.24 0 -9 3 566.36 20.58 0 9 -3 512.90 20.42 0 9 3 536.98 18.36 0 9 -4 2.89 2.24 0 -9 4 4.35 1.98 0 9 4 4.57 1.84 0 -9 5 52.26 6.63 0 9 -5 53.09 6.99 0 -9 6 124.10 10.38 0 9 -6 108.23 10.66 0 -9 7 57.30 9.16 0 9 -7 44.71 7.04 0 9 8 0.93 1.34 0 -9 8 2.18 2.35 0 9 -8 3.57 3.54 0 9 -9 1.89 1.87 0 -9 9 4.38 2.46 0 9 10 22.63 4.88 0 9 -10 17.13 5.45 0 9 11 23.64 5.23 0 9 -11 22.34 6.51 0 9 12 35.64 6.77 0 9 -12 23.97 6.08 0 9 -13 3.20 3.30 0 9 -14 73.18 12.49 0 9 -15 76.15 13.38 0 9 -16 8.86 4.72 0 9 -16 7.03 5.22 0 10 0 20.45 3.93 0 10 1 61.24 6.39 0 -10 1 70.05 7.18 0 -10 2 83.51 7.97 0 10 -2 92.88 8.54 0 10 2 96.63 7.84 0 10 -3 5.95 2.44 0 -10 3 6.39 2.30 0 10 3 7.77 2.55 0 -10 4 194.85 12.85 0 10 4 194.45 12.23 0 10 -4 186.78 13.26 0 10 4 187.03 11.14 0 10 5 52.44 5.94 0 10 -5 34.16 5.70 0 10 5 45.39 5.97 0 10 -6 3.57 1.68 0 10 6 1.67 1.53 0 10 -7 102.78 11.26 0 10 7 97.30 9.36 0 10 -8 112.02 12.37 0 10 8 114.88 10.77 0 10 9 11.21 3.62 0 10 -9 7.57 3.31 0 10 -10 9.65 3.52 0 10 10 22.56 5.17 0 10 -11 81.87 12.12 0 10 11 57.57 8.30 0 10 -12 26.02 7.79 0 10 -13 7.54 5.14 0 10 -14 100.59 15.07 0 10 -15 3.14 5.17 0 10 -16 16.91 5.90 0 11 0 1.26 1.23 0 11 -1 5.90 2.72 0 11 1 4.19 1.89 0 -11 1 3.03 1.37 0 11 -2 67.29 7.83 0 11 2 68.73 7.03 0 -11 2 78.49 8.01 0 11 3 23.79 4.18 0 -11 3 26.51 4.83 0 11 -3 15.14 4.12 0 11 4 -0.05 1.12 0 11 -4 -0.54 1.69 0 11 4 1.30 1.62 0 11 5 220.36 14.04 0 11 5 225.30 12.95 0 11 -5 198.65 14.99 0 11 -6 199.94 15.60 0 11 6 199.95 12.46 0 11 6 199.33 13.57 0 11 7 84.59 8.91 0 11 -7 92.04 11.10 0 11 7 87.78 8.45 0 11 -8 52.66 8.83 0 11 8 55.59 7.65 0 11 -9 2.50 2.37 0 11 9 1.66 2.37 0 11 10 -0.71 2.23 0 11 -10 -2.34 2.72 0 11 -11 41.85 9.27 0 11 -12 150.25 17.57 0 11 -13 11.33 5.68 0 11 -14 15.63 6.75 0 12 0 1022.11 31.42 0 12 -1 134.93 11.10 0 12 1 149.03 11.08 0 12 -2 -1.08 1.66 0 12 2 0.48 1.52 0 12 3 413.19 18.45 0 12 -3 396.99 20.54 0 12 -4 11.49 3.42 0 12 4 18.37 4.45 0 12 4 15.63 3.71 0 12 5 36.10 5.53 0 12 5 48.06 6.84 0 12 -5 40.50 7.19 0 12 6 97.64 8.89 0 12 6 82.62 9.11 0 12 -6 110.35 11.96 0 12 7 284.06 15.77 0 12 -7 300.62 20.73 0 12 7 291.61 17.65 0 12 8 7.08 3.43 0 12 -8 6.63 4.29 0 12 8 3.91 1.57 0 12 -9 53.95 9.23 0 12 -10 46.53 9.28 0 12 -11 120.39 15.33 0 12 -12 77.53 13.31 0 12 -13 1.88 2.35 0 12 -14 9.40 4.99 0 13 0 3.16 2.58 0 13 1 180.12 12.77 0 13 -1 183.76 13.76 0 13 2 29.81 5.01 0 13 -2 34.97 6.27 0 13 3 6.21 3.13 0 13 -3 3.14 2.03 0 13 4 59.32 7.31 0 13 -4 59.78 8.50 0 13 5 24.28 4.73 0 13 -5 25.93 5.94 0 13 -6 151.74 14.55 0 13 6 134.83 10.97 0 13 -7 107.02 12.93 0 13 7 108.25 9.80 0 13 -8 407.08 26.33 0 13 8 424.47 20.27 0 13 9 25.49 5.02 0 13 -9 27.99 7.53 0 13 -10 58.13 10.51 0 13 10 68.93 8.16 0 13 -11 61.58 11.36 0 13 -12 4.41 3.82 0 13 -13 22.23 7.38 0 14 0 2.47 2.64 0 14 1 15.82 4.00 0 14 -1 13.93 4.30 0 14 -2 131.71 12.61 0 14 2 146.47 12.05 0 14 -3 303.52 19.52 0 14 3 295.10 17.04 0 14 4 24.76 5.18 0 14 -4 21.93 5.83 0 14 5 24.90 4.96 0 14 -5 22.83 6.16 0 14 -6 54.96 9.44 0 14 6 59.34 7.50 0 14 -7 4.05 4.37 0 14 7 6.14 2.80 0 14 8 1.93 2.00 0 14 -8 3.80 3.00 0 14 9 74.68 8.69 0 14 -9 89.00 13.30 0 14 -10 0.81 2.38 0 14 10 6.29 2.99 0 14 11 47.82 7.24 0 14 -11 36.04 9.29 0 14 -12 1.71 4.00 0 15 0 2.16 2.18 0 15 -1 111.46 11.60 0 15 1 117.29 11.63 0 15 2 2.75 3.14 0 15 -2 2.39 2.08 0 15 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13.31 0 18 3 1.50 2.24 0 18 -3 9.93 4.99 0 18 4 11.14 4.23 0 18 -4 10.41 5.41 0 18 -5 59.52 11.04 0 18 -6 7.62 4.72 0 19 0 5.20 3.73 0 19 1 4.52 4.26 0 19 -1 3.98 2.05 0 19 -2 2.25 3.20 0 19 2 3.24 2.97 0 19 -3 7.10 5.08 0 19 -4 47.91 9.73 1 0 -20 -2.36 3.17 1 0 -19 2.09 3.84 1 0 -18 -2.36 2.87 1 0 -18 -1.51 3.14 1 0 -17 16.47 5.05 1 0 -17 10.69 4.45 1 0 -16 -0.72 2.18 1 0 -16 -0.97 2.12 1 0 -15 -0.94 3.13 1 0 -15 3.16 2.48 1 0 -14 2.50 2.49 1 0 -13 878.36 32.38 1 0 -12 -0.65 1.68 -1 0 12 1.55 2.08 1 0 -11 330.86 17.33 -1 0 11 306.64 16.51 -1 0 10 1.44 1.64 1 0 -10 0.11 1.46 1 0 -9 414.14 17.22 -1 0 8 1.39 0.85 1 0 -8 -0.40 1.09 1 0 -7 14.17 2.69 1 0 -7 13.94 2.77 -1 0 7 16.84 3.08 1 0 -6 -0.16 0.87 -1 0 6 0.67 0.63 1 0 -6 0.45 0.58 1 0 -5 659.24 17.45 -1 0 5 621.47 16.07 -1 0 4 2.04 0.83 1 0 -4 0.38 0.83 1 0 -3 114.04 4.81 -1 0 3 104.97 4.45 1 0 -2 -0.07 0.25 -1 0 2 0.18 0.20 -1 0 -1 535.94 11.79 -1 0 -2 0.76 0.79 1 0 3 75.46 5.19 -1 0 -3 73.09 5.27 -1 0 -4 0.26 0.81 1 0 4 0.99 0.67 1 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30.19 9.31 1 7 -19 7.77 5.85 1 7 -18 16.68 7.14 1 7 -17 13.11 6.69 1 7 -16 101.03 15.28 1 -7 -16 141.49 11.77 1 7 -16 138.01 17.21 1 -7 -15 144.10 11.47 1 7 -15 119.20 15.75 1 -7 -14 8.39 3.20 1 7 -14 5.73 3.05 1 7 -13 1205.89 47.49 -1 7 13 1292.50 37.32 1 -7 -13 1308.57 34.31 -1 7 13 1223.07 40.00 1 -7 -12 4.25 2.01 1 7 -12 5.19 3.53 1 -7 -11 55.45 6.00 1 7 -11 53.71 8.77 -1 7 10 64.69 7.08 1 7 -10 61.75 8.87 -1 7 9 13.30 3.16 1 7 -9 13.65 4.03 -1 -7 9 15.96 4.10 -1 7 8 1.98 1.54 1 7 -8 3.66 1.82 -1 -7 8 0.97 1.58 -1 -7 8 0.90 1.27 -1 7 7 67.35 6.32 1 7 -7 66.11 7.82 -1 -7 7 73.10 8.36 -1 -7 7 68.12 7.37 -1 7 6 391.73 14.81 1 7 -6 410.54 18.77 -1 -7 6 442.75 21.86 -1 -7 6 392.31 17.13 1 7 -5 67.21 7.03 -1 -7 5 71.83 6.94 -1 7 5 66.33 5.55 1 7 -4 359.30 15.64 -1 -7 4 367.08 15.38 -1 7 4 345.87 12.84 -1 7 4 381.03 12.77 1 7 -3 315.09 13.91 -1 -7 3 320.15 14.00 -1 7 3 317.96 11.34 1 7 -2 333.13 13.77 -1 7 2 334.98 11.78 -1 -7 2 356.52 14.38 -1 7 1 277.77 10.81 1 -7 -1 271.51 10.84 1 7 -1 272.59 12.10 -1 -7 1 293.62 12.81 -1 7 0 37.27 4.11 1 7 0 32.33 3.99 1 -7 0 36.30 3.94 -1 7 -1 1.71 1.24 1 -7 1 2.78 1.28 1 7 1 1.41 0.97 1 7 2 207.47 11.07 -1 7 -2 187.77 10.38 1 7 2 214.63 10.63 1 -7 2 195.64 10.22 1 -7 3 203.66 10.84 1 7 3 219.49 11.52 -1 7 -3 192.05 11.26 1 -7 4 69.55 6.62 -1 7 -4 68.61 7.15 1 7 4 73.86 6.85 1 -7 5 215.91 12.38 -1 7 -5 210.67 13.38 1 7 5 203.59 12.08 1 -7 6 612.05 22.44 -1 7 -6 645.90 25.26 -1 -7 -7 1.61 1.06 1 -7 7 4.14 2.22 -1 7 -7 3.54 2.27 1 -7 7 2.79 2.62 1 7 8 141.72 11.59 -1 7 -8 119.93 12.12 1 -7 8 139.44 10.83 -1 -7 -8 136.40 10.06 -1 7 -9 62.37 9.21 1 7 9 79.40 8.91 1 -7 9 65.64 7.65 -1 -7 -9 61.63 7.08 1 7 10 79.44 9.45 -1 7 -10 85.56 11.34 -1 -7 -10 96.87 9.22 1 7 11 36.01 6.73 -1 -7 -11 25.62 4.97 -1 7 -11 28.44 6.72 -1 7 -12 7.86 4.51 -1 -7 -12 7.67 3.28 -1 -7 -13 17.73 4.86 -1 7 -13 12.62 4.48 -1 7 -13 15.83 5.62 -1 7 -14 6.24 5.33 -1 -7 -14 1.60 1.97 -1 -7 -15 24.52 5.79 -1 7 -15 19.65 6.72 -1 -7 -16 78.27 10.10 -1 7 -16 98.62 14.92 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31.25 6.26 -1 9 7 158.95 10.60 1 9 -7 165.96 13.31 -1 -9 7 165.34 14.76 1 9 -6 27.91 5.50 -1 9 6 24.09 3.67 -1 9 6 29.14 4.43 -1 -9 6 24.30 4.90 -1 -9 6 14.53 3.91 -1 9 5 58.47 5.61 -1 -9 5 56.86 6.84 -1 9 5 52.34 5.72 1 9 -5 49.29 6.61 -1 -9 4 107.44 9.08 1 9 -4 92.15 8.73 -1 9 4 86.16 7.26 -1 9 4 97.47 7.06 -1 -9 3 309.80 15.46 -1 9 3 304.37 12.75 1 9 -3 302.52 15.19 -1 -9 2 148.56 10.41 -1 9 2 154.59 9.04 1 9 -2 148.10 10.19 1 9 -1 248.05 12.94 -1 9 1 257.84 12.04 -1 9 0 276.20 12.98 1 -9 0 288.92 13.17 1 9 0 278.71 13.53 1 9 1 46.73 5.48 1 -9 1 39.90 4.96 -1 9 -1 46.53 5.53 1 -9 2 7.86 2.59 1 9 2 4.28 1.77 -1 9 -2 7.84 2.24 1 9 3 33.73 4.97 -1 9 -3 32.32 5.12 1 9 3 28.51 4.32 1 -9 3 27.42 4.34 1 9 4 6.02 2.32 1 -9 4 2.68 1.91 -1 9 -4 3.47 2.04 -1 9 -5 65.28 8.00 1 9 5 76.28 7.95 1 -9 5 62.25 7.40 -1 9 -6 1145.73 37.22 1 9 6 1124.12 33.69 1 9 7 42.02 6.67 -1 9 -7 44.30 7.39 1 -9 7 55.12 9.07 1 -9 8 248.53 16.94 1 9 8 216.04 15.27 -1 9 -8 218.61 17.15 1 9 9 22.70 4.83 1 -9 9 37.89 6.38 -1 9 -9 23.48 6.62 -1 9 -10 18.68 5.69 1 -9 10 17.14 4.34 1 9 10 19.45 4.89 -1 9 -11 108.99 14.18 -1 9 -12 34.73 8.52 -1 9 -13 115.88 15.73 -1 -9 -14 0.99 1.40 -1 9 -14 0.44 3.48 -1 9 -14 -2.55 3.15 -1 -9 -15 37.65 7.03 -1 9 -15 61.64 11.92 -1 9 -16 25.19 8.44 1 10 -16 -0.53 3.36 1 10 -15 252.04 24.41 1 10 -14 169.61 19.32 1 10 -13 4.20 4.41 1 10 -12 9.22 4.43 -1 10 11 -7.70 2.96 1 10 -11 0.11 2.74 1 10 -10 62.89 9.74 -1 10 10 68.34 8.13 1 10 -9 25.33 5.96 1 10 -8 26.44 6.00 -1 10 7 159.22 10.11 1 10 -7 165.90 14.00 1 10 -6 6.55 3.17 -1 10 6 4.56 1.59 1 10 -5 24.97 4.83 -1 10 5 16.67 3.23 -1 10 4 6.83 1.80 -1 -10 4 9.58 3.17 1 10 -4 9.55 3.28 -1 -10 3 16.95 3.80 1 10 -3 10.26 3.07 -1 10 3 11.40 2.64 -1 10 2 13.98 2.77 1 10 -2 17.06 3.71 -1 -10 2 16.79 3.79 -1 10 1 235.56 12.34 1 10 -1 229.63 13.18 1 -10 0 241.61 12.73 1 10 0 233.48 13.16 -1 10 0 230.73 12.51 -1 10 -1 225.48 12.96 1 10 1 234.50 13.10 1 -10 1 244.66 13.18 1 -10 2 2.13 1.45 -1 10 -2 1.16 1.28 1 10 2 1.25 1.29 1 10 3 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11 -3 60.04 7.46 -1 -11 2 2.13 2.11 1 11 -2 4.51 2.40 -1 11 2 -0.23 1.62 1 11 -1 174.25 12.10 -1 11 1 198.53 12.01 -1 11 0 42.58 5.72 1 11 0 47.81 6.26 1 -11 1 46.74 6.03 1 11 1 40.84 5.60 -1 11 -1 47.81 6.55 1 11 2 183.80 12.08 1 -11 2 171.54 11.83 -1 11 -2 157.59 11.89 1 11 3 56.27 7.12 -1 11 -3 45.44 6.65 1 11 3 58.68 6.97 1 -11 3 58.97 7.19 1 11 4 98.42 9.65 1 11 4 111.34 9.55 -1 11 -4 101.86 10.49 1 11 5 146.71 11.11 -1 11 -5 118.16 11.68 1 11 5 159.01 12.59 -1 11 -6 32.17 6.52 1 11 6 35.89 6.05 1 11 6 32.71 5.26 1 11 7 159.06 13.32 -1 11 -7 159.09 14.69 -1 11 -8 16.89 4.97 -1 11 -9 53.42 9.39 -1 11 -10 1.77 2.56 -1 11 -11 116.42 15.49 -1 11 -12 7.77 4.85 -1 11 -13 41.77 10.03 -1 11 -14 37.73 9.94 1 12 -14 14.28 5.68 1 12 -13 30.60 8.04 1 12 -12 142.47 16.83 1 12 -11 14.24 5.51 -1 12 10 11.76 3.00 1 12 -10 12.14 4.77 1 12 -9 6.35 3.88 -1 12 9 6.62 2.33 -1 12 9 5.10 2.80 -1 12 8 193.09 13.82 1 12 -8 216.05 18.03 -1 12 8 200.13 12.43 1 12 -7 97.10 11.43 -1 12 7 83.22 8.66 -1 12 7 84.40 7.85 -1 12 6 29.07 4.54 -1 12 6 28.17 5.17 1 12 -6 29.63 6.35 -1 12 5 703.24 25.66 1 12 -5 715.14 29.60 -1 12 5 774.18 24.66 -1 12 4 12.43 3.34 -1 12 4 19.68 3.97 1 12 -4 14.72 4.35 1 12 -3 6.29 3.58 -1 12 3 1.02 1.17 -1 12 2 62.93 7.00 1 12 -2 50.28 6.99 1 12 -1 29.76 5.60 -1 12 1 26.87 4.87 -1 12 0 0.13 1.43 1 12 0 2.38 2.16 -1 12 -1 16.92 3.80 1 12 1 27.11 5.14 1 -12 1 19.46 4.20 -1 12 -2 228.40 14.98 1 12 2 260.08 15.12 -1 12 -3 0.50 1.92 1 12 3 2.79 2.13 1 12 4 5.58 2.77 -1 12 -4 1.62 1.66 1 12 5 3.41 1.69 -1 12 -5 6.03 2.55 1 12 6 0.78 2.29 -1 12 -6 1.93 3.05 1 12 7 0.05 1.88 -1 12 -7 -1.39 3.63 -1 12 -8 8.20 3.38 -1 12 -9 11.48 3.25 -1 12 -10 86.38 12.94 -1 12 -11 0.80 2.43 -1 12 -12 70.05 12.62 -1 12 -13 -0.71 3.50 1 13 -13 24.68 7.78 1 13 -12 -2.47 4.82 -1 13 11 11.49 3.19 1 13 -11 5.96 3.09 -1 13 10 41.99 6.12 1 13 -10 42.45 9.09 -1 13 9 1.60 2.07 1 13 -9 -0.86 2.77 -1 13 8 14.77 3.79 1 13 -8 17.90 6.30 -1 13 7 36.66 5.51 1 13 -7 30.67 7.41 -1 13 7 45.30 6.72 1 13 -6 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2.56 2 -6 -14 476.05 18.76 -2 6 14 418.57 21.68 2 6 -14 448.73 27.96 2 -6 -13 175.68 10.61 -2 6 13 156.41 12.50 2 6 -13 153.34 15.52 2 6 -12 -1.40 2.08 -2 6 12 1.26 1.57 2 -6 -12 -0.60 1.21 2 6 -11 257.29 18.26 -2 6 11 259.41 12.65 2 -6 -11 250.41 11.33 2 6 -10 2.96 1.55 2 -6 -10 4.62 1.60 -2 6 10 2.33 1.69 -2 6 10 2.78 1.34 -2 6 9 37.24 4.32 2 6 -9 40.55 6.40 -2 -6 9 40.85 5.72 -2 -6 8 10.00 3.40 2 6 -8 12.38 3.84 -2 -6 8 7.68 2.62 -2 6 8 11.73 2.25 -2 -6 7 1130.61 33.31 -2 6 7 1088.39 23.80 -2 -6 7 1019.36 29.07 2 6 -7 1069.61 31.03 -2 6 6 188.23 8.23 2 6 -6 193.79 11.84 -2 -6 6 199.56 12.96 -2 6 5 212.14 8.32 2 6 -5 197.95 11.46 -2 6 4 968.65 18.26 2 6 -4 944.77 24.97 2 6 -3 8.33 2.15 -2 6 3 1.52 0.70 -2 6 2 142.54 6.39 2 6 -2 140.34 8.43 -2 -6 2 148.91 8.92 -2 6 1 9.37 1.78 2 6 -1 9.81 2.17 2 -6 -1 12.10 1.90 2 6 0 688.27 19.48 -2 6 0 653.47 17.17 2 -6 0 642.63 16.41 -2 6 -1 153.19 8.60 2 6 1 153.13 9.41 2 -6 1 163.07 8.19 2 -6 2 1092.71 25.57 -2 6 -2 1087.18 27.13 2 6 2 1128.88 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2.35 2 7 -15 -0.06 2.31 2 -7 -14 680.62 22.46 2 7 -14 677.55 35.68 -2 7 14 629.93 26.88 2 -7 -13 13.51 2.89 2 7 -13 18.35 6.09 -2 7 13 11.24 3.55 -2 7 12 35.24 5.53 2 7 -12 36.60 7.57 -2 7 12 36.91 5.04 2 7 -11 604.00 28.84 -2 7 11 562.59 19.66 2 7 -10 82.37 9.93 -2 7 10 81.40 6.89 2 7 -9 127.60 11.71 -2 -7 9 134.54 12.10 -2 7 9 118.01 8.23 -2 -7 8 99.93 10.17 -2 -7 8 91.30 8.69 -2 7 8 92.14 6.82 2 7 -8 86.35 9.22 2 7 -7 69.91 7.84 -2 -7 7 60.61 7.69 -2 -7 7 56.42 6.68 -2 7 7 57.61 5.23 -2 -7 6 224.33 14.98 2 7 -6 212.64 12.99 -2 7 6 202.51 9.19 -2 7 5 97.17 6.04 -2 7 5 102.62 5.75 2 7 -5 90.86 8.02 -2 -7 5 100.07 11.08 -2 7 4 37.27 3.40 2 7 -4 42.84 5.25 2 7 -3 222.73 11.54 -2 7 3 231.65 8.82 -2 -7 3 243.63 12.52 -2 7 2 538.86 14.59 2 7 -2 501.82 17.84 -2 -7 2 548.95 18.93 2 7 -1 54.69 5.55 -2 7 1 52.88 4.60 2 -7 -1 64.08 4.81 2 -7 0 220.26 9.67 -2 7 0 203.09 9.76 2 7 0 208.23 10.90 2 7 1 2128.92 41.36 -2 7 -1 2104.48 40.05 2 -7 1 2078.83 38.24 -2 7 -2 15.70 3.29 2 -7 2 18.11 3.14 -2 7 -3 102.53 8.56 2 -7 3 114.43 8.23 2 -7 4 865.62 25.58 -2 7 -4 819.97 27.04 -2 7 -5 6.08 1.94 2 -7 5 8.91 2.68 -2 7 -6 10.76 3.22 -2 -7 -6 9.74 2.96 2 -7 6 6.42 2.13 2 7 6 10.93 3.10 2 7 7 38.98 6.33 -2 -7 -7 38.18 5.66 2 -7 7 47.28 6.37 2 -7 7 28.44 5.19 -2 7 -7 33.04 6.24 -2 7 -8 10.45 4.01 2 7 8 7.86 3.41 -2 -7 -8 5.05 2.45 2 -7 8 8.48 2.72 -2 -7 -9 271.18 15.96 2 -7 9 281.47 15.50 -2 7 -9 292.12 20.43 2 7 9 308.55 19.12 -2 -7 -10 106.92 10.28 -2 7 -10 124.66 13.94 2 7 10 108.94 11.72 -2 7 -11 27.19 6.93 -2 -7 -11 12.28 4.23 -2 7 -11 14.26 4.82 -2 -7 -12 64.83 8.69 -2 7 -12 64.40 10.91 -2 -7 -13 5.11 3.41 -2 7 -13 2.70 2.74 -2 -7 -14 2.90 2.44 -2 7 -14 -1.28 3.15 -2 7 -15 17.22 6.24 -2 -7 -15 19.66 5.87 -2 -7 -16 49.89 9.32 -2 7 -16 68.37 12.95 -2 -7 -17 229.29 18.96 2 8 -18 23.89 7.76 2 8 -17 24.02 8.09 2 8 -16 100.72 15.02 2 8 -15 5.88 4.83 2 8 -14 16.84 7.02 -2 8 13 257.97 16.32 2 8 -13 234.71 20.37 2 8 -12 11.21 4.19 -2 8 12 12.45 3.43 -2 8 12 20.46 3.93 2 8 -11 0.61 2.15 -2 8 11 2.56 1.40 2 8 -10 2.33 2.94 -2 8 10 0.46 1.45 -2 -8 9 1.61 1.79 -2 8 9 3.66 1.76 2 8 -9 1.30 2.30 -2 -8 8 407.20 21.77 2 8 -8 423.88 21.21 -2 8 8 400.66 15.60 -2 -8 7 329.09 19.21 2 8 -7 323.13 17.54 -2 -8 7 296.09 16.26 -2 8 7 295.08 12.69 -2 -8 6 40.72 5.84 -2 8 6 43.01 4.56 2 8 -6 45.98 6.23 -2 -8 6 52.07 8.04 -2 8 6 43.88 4.17 2 8 -5 156.04 10.96 -2 -8 5 154.34 10.96 -2 8 5 145.22 7.49 -2 8 5 150.15 8.23 -2 8 4 701.57 17.56 -2 -8 4 722.79 23.74 -2 -8 3 0.19 1.72 2 8 -3 -0.56 0.89 -2 8 3 -0.46 1.14 -2 8 2 573.93 16.60 2 8 -2 604.66 20.40 -2 8 1 -0.63 0.82 2 8 -1 15.25 3.28 2 -8 0 990.31 23.89 -2 8 0 926.88 24.27 2 8 0 993.02 26.58 2 8 1 3.12 1.42 -2 8 -1 2.56 1.76 2 -8 1 6.85 2.16 2 -8 2 8.78 2.47 2 8 2 13.00 3.10 -2 8 -2 4.99 2.04 2 8 3 147.16 10.65 2 -8 3 140.39 9.56 -2 8 -3 128.24 9.96 2 8 4 34.09 5.52 2 -8 4 36.57 5.32 -2 8 -4 34.41 5.64 2 8 5 151.23 11.72 2 -8 5 146.57 10.72 -2 8 -5 141.86 11.86 -2 8 -6 -0.75 2.65 2 8 6 1.19 1.42 2 -8 6 -0.28 1.23 -2 8 -7 131.67 12.83 2 8 7 142.24 12.30 2 -8 7 128.19 12.15 -2 -8 -8 92.64 9.09 2 -8 8 98.04 9.45 2 8 8 93.00 10.24 -2 8 -8 89.59 10.98 -2 -8 -9 118.92 10.84 2 -8 9 106.11 9.95 -2 8 -9 118.03 13.45 2 8 9 98.73 11.05 -2 8 -10 32.27 7.40 -2 -8 -10 23.10 4.98 2 -8 10 29.39 5.37 -2 -8 -11 420.99 21.56 -2 8 -11 402.15 26.74 -2 8 -12 53.22 9.99 -2 -8 -12 51.77 7.71 -2 8 -12 48.02 9.62 -2 -8 -13 110.29 11.62 -2 8 -13 120.78 15.69 -2 8 -14 2.02 3.30 -2 -8 -14 -0.25 2.23 -2 -8 -15 0.42 2.29 -2 8 -15 1.39 2.69 -2 -8 -16 4.85 3.43 -2 8 -16 7.70 4.83 2 9 -18 -0.24 2.35 2 9 -17 12.35 6.90 2 9 -16 155.94 18.84 2 9 -15 83.25 13.07 2 9 -14 20.68 6.92 2 9 -13 0.78 3.37 2 9 -12 33.60 7.49 -2 9 12 37.54 5.43 2 9 -11 53.09 9.37 -2 9 11 38.24 5.38 -2 9 10 2.84 1.96 2 9 -10 -0.85 2.25 2 9 -9 11.72 3.72 -2 9 9 16.55 3.31 2 9 -8 94.01 10.30 -2 9 8 93.99 7.72 -2 9 7 0.01 0.76 -2 -9 7 3.83 3.59 2 9 -7 2.37 2.22 -2 9 7 1.14 1.10 -2 9 6 302.71 13.19 -2 -9 6 330.85 23.10 2 9 -6 291.35 16.76 -2 9 6 332.77 12.61 -2 9 5 202.54 10.53 -2 -9 5 213.63 13.44 2 9 -5 196.39 13.06 -2 9 5 202.35 9.70 -2 -9 4 37.43 5.45 2 9 -4 43.13 5.95 -2 9 4 42.41 4.40 -2 9 3 29.08 3.69 -2 -9 3 32.43 5.16 2 9 -3 27.14 4.47 -2 9 2 3.00 1.57 2 9 -2 2.96 2.19 -2 9 1 159.66 9.40 2 9 -1 142.07 10.16 2 -9 -1 174.17 9.46 2 -9 0 188.08 10.20 -2 9 0 195.41 10.91 2 9 0 173.85 11.04 -2 9 -1 155.19 10.17 2 -9 1 172.77 10.17 2 9 1 165.87 10.90 2 9 2 24.47 4.20 2 9 2 30.98 4.83 -2 9 -2 27.98 4.55 2 -9 2 37.16 5.00 2 9 3 37.06 5.51 2 -9 3 43.82 5.55 -2 9 -3 39.94 6.05 -2 9 -4 180.45 13.11 2 -9 4 172.29 11.58 2 9 4 180.72 12.81 2 -9 5 53.68 6.65 -2 9 -5 48.14 7.25 2 9 5 56.72 7.51 -2 9 -6 22.57 5.11 2 9 6 27.76 5.40 -2 9 -7 197.38 16.26 2 9 7 197.46 14.79 2 9 8 343.73 20.78 2 -9 8 397.98 21.11 -2 9 -8 341.79 22.49 2 -9 9 82.32 9.35 -2 9 -9 73.45 10.80 2 -9 10 109.25 11.11 -2 9 -10 109.43 13.74 -2 9 -11 68.52 11.49 -2 -9 -12 90.53 10.38 -2 9 -12 79.92 12.69 -2 9 -12 77.43 12.83 -2 -9 -13 6.18 3.08 -2 9 -13 9.01 4.43 -2 -9 -14 7.79 3.21 -2 9 -14 11.84 5.85 -2 -9 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1.52 -2 10 -5 65.57 8.66 2 10 5 67.92 8.30 -2 10 -6 243.89 17.59 2 10 6 239.26 16.21 -2 10 -7 565.42 28.59 -2 10 -8 1.92 1.77 2 -10 8 3.62 3.24 -2 10 -9 76.13 11.64 2 -10 9 39.52 7.06 -2 10 -10 90.98 12.90 2 -10 10 78.28 9.77 -2 10 -11 5.49 4.65 -2 10 -12 91.75 14.52 -2 10 -13 3.30 2.52 -2 10 -13 8.86 4.88 -2 10 -14 24.90 8.47 2 11 -15 7.88 4.94 2 11 -14 7.78 3.94 2 11 -13 2.06 3.18 2 11 -12 23.35 6.78 2 11 -11 36.64 8.12 -2 11 10 13.46 2.85 2 11 -10 8.95 4.74 -2 11 9 6.64 1.93 2 11 -9 0.76 1.97 -2 11 8 116.10 8.38 2 11 -8 114.74 12.26 2 11 -7 83.12 10.18 -2 11 7 95.92 7.45 2 11 -6 86.34 9.88 -2 11 6 87.26 7.07 2 11 -5 -0.43 2.19 -2 11 5 1.84 1.24 -2 11 4 49.42 5.48 2 11 -4 59.40 7.66 -2 11 3 6.82 2.12 2 11 -3 6.19 2.93 2 11 -2 243.73 14.81 -2 11 2 222.24 12.24 -2 11 1 272.28 14.21 2 11 -1 299.36 16.17 -2 11 0 66.24 7.18 2 11 0 52.59 6.84 2 -11 0 54.73 6.31 -2 11 -1 47.32 6.23 2 11 1 53.44 6.77 2 -11 1 51.80 6.22 2 11 2 40.20 5.79 2 -11 2 42.46 5.88 -2 11 -2 44.59 6.34 -2 11 -3 2.12 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11 -8 14.81 4.42 -5 11 7 162.58 8.57 -5 11 7 145.48 6.18 5 11 -7 148.83 13.34 -5 11 6 0.86 0.61 5 11 -6 1.33 1.74 -5 11 5 25.03 3.24 5 11 -5 22.89 5.10 -5 11 4 1.08 1.23 5 11 -4 0.96 1.31 -5 11 3 922.03 25.02 5 11 -3 901.87 32.04 -5 11 2 143.93 10.01 5 11 -2 141.11 12.36 5 -11 -2 168.17 9.61 -5 11 1 267.07 14.72 5 -11 -1 269.11 13.08 5 11 -1 252.43 16.52 5 -11 0 120.60 9.03 -5 11 0 107.05 9.84 5 11 0 126.24 11.62 5 11 1 7.20 2.96 -5 11 -1 9.37 3.44 5 -11 1 5.55 2.44 5 11 2 9.14 3.79 -5 11 -2 6.07 3.14 5 -11 2 0.87 1.70 -5 11 -3 351.08 20.89 -5 11 -4 1.10 1.90 -5 11 -5 10.15 4.14 -5 11 -6 18.10 5.68 -5 11 -7 2.96 2.62 -5 11 -8 0.88 2.25 -5 11 -9 15.55 6.63 -5 11 -10 18.30 6.27 -5 11 -11 29.48 8.80 5 12 -14 57.67 10.91 5 12 -13 46.51 9.40 5 12 -12 4.94 3.48 5 12 -11 5.28 3.86 5 12 -10 2.71 3.07 5 12 -9 -0.81 3.63 5 12 -8 123.09 12.88 -5 12 7 29.81 3.14 5 12 -7 33.12 6.63 5 12 -6 72.43 9.65 -5 12 6 67.01 5.15 -5 12 5 20.65 3.16 5 12 -5 26.02 5.76 -5 12 4 311.46 13.61 5 12 -4 315.23 19.29 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-0.42 2.75 -13 7 0 15.09 4.86 -13 7 -1 -2.20 3.59 -13 7 -2 59.80 10.91 -13 7 -3 4.82 3.15 13 8 -14 33.56 7.48 13 8 -13 27.56 7.03 13 8 -12 17.94 6.05 13 8 -11 -0.54 2.22 13 8 -10 31.22 7.23 13 8 -9 35.80 7.36 13 8 -8 14.65 4.79 13 8 -7 39.00 8.39 13 8 -6 0.60 2.04 13 8 -5 17.22 5.40 13 8 -4 26.28 6.93 13 8 -3 13.01 5.11 13 8 -2 12.68 4.92 13 8 -1 0.40 3.60 -13 8 1 3.42 3.14 -13 8 0 42.78 9.06 -13 8 -1 15.33 5.40 -13 8 -2 7.29 4.67 -13 8 -3 4.63 4.22 13 9 -12 31.00 7.15 13 9 -11 59.11 10.23 13 9 -10 49.63 9.26 13 9 -9 -2.32 3.72 13 9 -8 26.33 6.86 13 9 -7 26.76 6.97 13 9 -6 6.47 3.24 13 9 -5 53.01 9.96 13 9 -4 4.09 3.78 13 9 -3 23.27 6.80 -13 9 -1 0.63 3.25 -13 9 -2 12.18 4.56 14 0 -13 -2.62 4.45 14 0 -12 82.78 15.04 14 0 -11 -1.46 3.27 14 0 -10 17.49 7.12 14 0 -9 -1.68 2.71 14 0 -8 189.42 20.37 14 0 -7 1.58 2.94 14 0 -6 3.75 1.70 14 0 -6 12.15 4.97 14 0 -5 -1.54 2.61 14 0 -5 0.22 4.37 14 0 -4 0.31 4.94 -14 0 3 -1.55 2.01 -14 0 2 -1.16 2.93 -14 0 1 -1.97 1.95 -14 0 0 206.06 19.53 -14 0 -1 2.50 3.57 -14 0 -2 51.98 10.04 14 -1 -13 125.61 19.26 14 -1 -12 24.18 8.50 14 1 -12 11.90 6.91 14 -1 -11 -2.95 4.37 14 1 -11 4.83 4.01 14 1 -10 0.73 3.72 14 -1 -10 -4.77 6.05 14 1 -9 35.33 9.84 14 -1 -9 18.16 7.18 14 1 -8 12.20 6.51 14 -1 -8 10.72 6.41 14 1 -7 19.98 5.37 14 -1 -7 16.01 6.61 14 1 -7 28.75 8.84 14 1 -6 -1.04 3.29 14 1 -6 8.42 5.35 14 -1 -6 6.17 3.88 14 -1 -5 -0.92 2.94 14 1 -5 0.57 1.69 14 -1 -5 -2.24 2.58 -14 1 4 4.81 3.53 14 -1 -4 8.50 5.26 -14 -1 3 56.46 9.32 -14 1 3 56.48 9.12 -14 -1 2 24.82 6.46 -14 1 2 21.62 6.30 -14 -1 1 1.34 3.43 -14 1 1 5.50 3.32 -14 -1 0 5.97 4.69 -14 1 0 4.82 4.13 -14 -1 -1 50.95 10.18 -14 1 -1 46.54 9.26 -14 -1 -2 10.08 5.97 -14 1 -2 1.03 3.38 14 -2 -12 38.22 10.73 14 2 -12 53.19 11.89 14 -2 -11 35.94 10.10 14 2 -11 47.82 12.33 14 -2 -10 24.40 8.38 14 2 -10 23.25 8.52 14 -2 -9 28.64 9.09 14 2 -9 38.16 10.69 14 2 -9 41.38 7.16 14 2 -8 40.67 7.50 14 2 -8 41.36 10.73 14 -2 -8 34.17 8.09 14 2 -7 11.15 3.87 14 -2 -7 5.26 4.35 14 2 -7 3.23 5.30 14 2 -6 7.69 3.86 14 -2 -6 13.15 6.45 14 2 -5 17.95 4.95 -14 2 5 9.07 3.99 14 -2 -5 22.37 7.07 -14 2 4 15.41 4.74 14 -2 -4 26.55 7.70 -14 2 3 -1.27 3.73 -14 2 2 96.14 12.23 -14 -2 2 75.07 11.49 -14 -2 1 21.53 6.70 -14 2 1 11.81 3.77 -14 -2 0 23.04 7.13 -14 2 0 25.91 7.08 -14 -2 -1 -0.78 2.88 -14 2 -1 5.03 3.56 -14 2 -2 3.57 4.61 14 -3 -12 38.63 10.44 14 3 -12 22.52 8.25 14 3 -11 6.62 5.15 14 -3 -11 19.24 7.56 14 3 -10 4.45 6.32 14 3 -10 1.71 2.37 14 -3 -10 3.11 3.70 14 3 -9 48.27 12.31 14 -3 -9 72.35 13.73 14 3 -9 74.10 9.71 14 3 -8 -4.36 10.49 14 -3 -8 5.28 3.72 14 3 -7 11.96 4.38 14 -3 -7 10.12 5.74 14 3 -6 46.65 8.39 14 -3 -6 49.51 10.34 14 3 -5 0.11 2.93 14 -3 -5 -3.97 4.19 14 3 -4 9.32 3.72 -14 3 4 16.05 4.77 -14 3 3 77.28 10.43 -14 3 2 1.97 2.57 -14 -3 1 51.68 9.76 -14 3 1 53.55 9.42 -14 -3 0 5.04 4.44 -14 3 0 2.57 2.50 -14 -3 -1 6.62 4.85 -14 3 -1 7.10 4.17 -14 3 -2 32.67 8.01 14 4 -12 -39.42 12.62 14 4 -11 -14.40 10.32 14 4 -10 -7.44 8.07 14 4 -10 49.54 8.42 14 4 -9 10.01 4.57 14 4 -8 14.49 4.98 14 4 -7 13.77 4.16 14 4 -6 28.52 6.87 14 -4 -6 24.23 7.17 14 -4 -5 54.66 10.85 14 4 -5 38.63 7.92 14 4 -4 16.77 5.19 -14 4 3 -0.29 2.11 -14 4 2 5.31 3.35 -14 4 1 47.91 9.08 -14 4 0 135.22 15.65 -14 4 -1 6.25 3.99 -14 4 -2 5.80 2.90 14 5 -11 20.58 5.16 14 5 -10 72.74 10.42 14 5 -9 70.68 10.22 14 5 -8 16.48 5.57 14 5 -7 -0.97 2.73 14 5 -6 6.41 3.98 14 5 -5 0.20 2.21 14 5 -4 121.95 14.40 14 5 -3 3.26 3.44 -14 5 2 -0.75 3.03 -14 5 1 65.69 10.60 -14 5 0 63.41 10.80 -14 5 -1 -1.71 3.09 -14 5 -2 8.67 3.93 14 6 -12 11.87 5.23 14 6 -11 11.64 4.63 14 6 -10 10.91 4.79 14 6 -9 64.51 9.71 14 6 -8 6.18 4.89 14 6 -7 5.91 4.09 14 6 -6 1.33 2.55 14 6 -5 70.27 11.09 14 6 -4 2.94 3.80 14 6 -3 273.64 22.66 14 6 -2 3.54 3.82 -14 6 1 3.95 2.21 -14 6 0 44.23 9.25 -14 6 -1 44.32 9.27 -14 6 -2 4.67 4.28 14 7 -12 4.57 3.18 14 7 -11 65.42 10.12 14 7 -10 -1.65 3.11 14 7 -9 -3.28 3.37 14 7 -8 15.19 6.09 14 7 -7 5.05 3.75 14 7 -6 13.19 4.91 14 7 -5 5.33 3.71 14 7 -4 43.96 9.30 14 7 -3 12.55 5.35 -14 7 -1 7.50 3.67 14 8 -12 22.69 5.77 14 8 -11 22.06 6.15 14 8 -10 10.44 4.25 14 8 -9 37.87 8.34 14 8 -8 2.46 2.37 14 8 -7 5.76 3.75 14 8 -6 0.56 3.66 14 8 -5 35.07 8.85 15 0 -11 130.59 19.29 15 0 -10 8.46 6.10 15 0 -9 238.18 24.81 15 0 -8 -1.57 3.25 15 0 -7 26.27 7.94 15 0 -6 3.87 4.39 -15 0 3 19.29 5.99 -15 0 2 0.78 2.69 -15 0 1 37.44 8.35 -15 0 0 2.20 3.78 15 1 -11 32.09 10.14 15 -1 -11 29.62 9.01 15 1 -10 37.59 11.67 15 -1 -10 29.27 9.35 15 1 -9 64.88 13.68 15 -1 -9 47.82 11.14 15 1 -8 1.50 5.27 15 -1 -8 12.25 7.67 15 -1 -7 0.34 2.67 15 1 -7 7.13 4.79 15 1 -6 2.90 7.21 15 -1 -6 5.33 3.91 -15 1 3 4.74 2.75 -15 -1 2 106.50 13.76 -15 1 2 130.72 14.99 -15 -1 1 14.92 5.57 -15 1 1 14.99 6.09 -15 1 0 4.40 4.18 15 -2 -11 10.59 6.65 15 2 -11 16.99 8.99 15 2 -10 13.71 7.27 15 -2 -10 11.49 5.10 15 -2 -9 -13.47 6.39 15 2 -9 -6.34 8.43 15 -2 -8 4.99 3.46 15 2 -8 -8.51 10.03 15 -2 -7 4.65 3.95 15 2 -6 3.41 3.56 15 2 -5 15.98 5.05 15 2 -4 -5.54 4.48 -15 2 3 196.77 17.67 -15 2 2 3.16 2.63 -15 -2 1 8.89 4.34 -15 2 1 11.29 4.90 -15 2 0 8.78 5.65 15 -3 -11 72.67 14.46 15 3 -10 -20.29 12.78 15 -3 -10 -5.75 5.65 15 -3 -9 9.05 3.67 15 -3 -8 -2.73 2.96 15 3 -7 47.15 8.55 15 -3 -7 47.68 10.57 15 3 -6 16.68 5.97 15 3 -5 12.10 4.88 15 3 -4 16.59 6.07 -15 3 2 2.28 3.41 -15 3 1 96.85 13.17 -15 3 0 -0.73 3.54 15 -4 -10 52.91 12.20 15 -4 -9 19.26 6.90 15 -4 -8 -0.26 3.14 15 4 -8 2.29 3.51 15 4 -7 31.17 7.08 15 -4 -7 21.26 7.11 15 4 -6 7.55 3.95 15 4 -5 22.26 6.64 15 4 -4 7.36 3.90 15 4 -3 41.81 9.03 -15 4 1 48.56 9.41 -15 4 0 3.92 3.18 15 5 -9 -1.20 2.27 15 5 -8 6.71 4.37 15 5 -7 -5.90 4.29 15 -5 -7 1.25 3.38 15 5 -6 4.54 3.50 15 5 -5 3.99 3.41 15 5 -4 37.78 8.77 15 5 -3 6.62 4.03 15 6 -10 7.72 4.95 15 6 -9 -0.01 2.43 15 6 -8 19.82 6.38 15 6 -7 7.99 4.35 15 6 -6 1.08 2.36 15 6 -5 87.50 12.95 15 6 -4 13.88 5.40 15 7 -9 8.25 4.27 15 7 -8 6.95 4.05 16 0 -9 4.47 5.17 16 1 -9 125.92 20.36 0 0 0 0.00 0.00 TITL C2001078 in P2(1)/n REM P2(1)/n (#14 in standard setting) CELL 0.71073 11.694961 14.514447 15.698237 90.0000 107.4859 90.0000 ZERR 11.00 0.000519 0.000536 0.000695 0.0000 0.0050 0.0000 LATT 1 SYMM -x+1/2, y+1/2,-z+1/2 SFAC C H N O UNIT 121.00 110.00 11.00 11.00 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 83024 _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 1.906 _oxdiff_exptl_absorpt_empirical_full_min 0.749 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group O1 O -0.09359(10) 0.61611(8) 0.24289(7) 0.0218(3) Uani 1 1 d . . . . . O4 O 0.56823(10) 0.39298(8) 0.79391(7) 0.0218(3) Uani 1 1 d . . . . . O6 O 0.49825(10) 0.64863(8) 1.05507(7) 0.0234(3) Uani 1 1 d . . . . . H6 H 0.456326 0.624343 1.082249 0.035 Uiso 1 1 calc R U . . . O2 O 0.08784(10) 0.52172(8) 0.22641(7) 0.0221(3) Uani 1 1 d . . . . . O5 O 0.64153(10) 0.68321(8) 0.95921(8) 0.0235(3) Uani 1 1 d . . . . . O7 O 0.28912(10) 0.55914(8) 0.98881(7) 0.0238(3) Uani 1 1 d . . . . . O3 O 0.47972(11) 0.29445(8) 0.68429(8) 0.0285(3) Uani 1 1 d . . . . . N1 N 0.27693(11) 0.55510(9) 0.63256(8) 0.0151(3) Uani 1 1 d . . . . . C5 C 0.17383(14) 0.53778(11) 0.47292(10) 0.0147(4) Uani 1 1 d . . . . . C6 C 0.07996(14) 0.59302(11) 0.48113(11) 0.0160(4) Uani 1 1 d . . . . . C10 C 0.34844(14) 0.43690(11) 0.57298(10) 0.0146(4) Uani 1 1 d . . . . . C11 C 0.41455(14) 0.44588(11) 0.66564(11) 0.0153(4) Uani 1 1 d . . . . . C12 C 0.36929(14) 0.52095(11) 0.70027(10) 0.0153(4) Uani 1 1 d . . . . . C2 C -0.00773(14) 0.59383(11) 0.32086(11) 0.0170(4) Uani 1 1 d . . . . . C13 C 0.40076(14) 0.55774(11) 0.79257(11) 0.0166(4) Uani 1 1 d . . . . . C29 C 0.49632(14) 0.37876(11) 0.72154(11) 0.0167(4) Uani 1 1 d . . . . . C19 C 0.37018(14) 0.36766(11) 0.50965(10) 0.0149(4) Uani 1 1 d . . . . . C9 C 0.26433(14) 0.50649(11) 0.55401(10) 0.0145(4) Uani 1 1 d . . . . . C15 C 0.35584(14) 0.57220(11) 0.93138(11) 0.0179(4) Uani 1 1 d . . . . . C4 C 0.17851(14) 0.51403(11) 0.38725(10) 0.0158(4) Uani 1 1 d . . . . . H4 H 0.242332 0.479151 0.381203 0.019 Uiso 1 1 calc R U . . . C17 C 0.53871(14) 0.63564(11) 0.91648(11) 0.0179(4) Uani 1 1 d . . . . . C18 C 0.50753(14) 0.60528(11) 0.82859(11) 0.0178(4) Uani 1 1 d . . . . . H18 H 0.557978 0.616738 0.793921 0.021 Uiso 1 1 calc R U . . . C20 C 0.47413(14) 0.37264(11) 0.48411(11) 0.0199(4) Uani 1 1 d . . . . . H20 H 0.529783 0.418944 0.507197 0.024 Uiso 1 1 calc R U . . . C14 C 0.32388(15) 0.54204(11) 0.84368(11) 0.0181(4) Uani 1 1 d . . . . . H14 H 0.251536 0.511511 0.819090 0.022 Uiso 1 1 calc R U . . . C3 C 0.08980(15) 0.54177(11) 0.31226(10) 0.0164(4) Uani 1 1 d . . . . . C7 C 0.07780(14) 0.62192(11) 0.57267(11) 0.0169(4) Uani 1 1 d . . . . . H7A H 0.038796 0.574651 0.597703 0.020 Uiso 1 1 calc R U . . . H7B H 0.032068 0.678417 0.568256 0.020 Uiso 1 1 calc R U . . . C8 C 0.20408(14) 0.63704(11) 0.63359(11) 0.0169(4) Uani 1 1 d . . . . . H8A H 0.239186 0.690229 0.613569 0.020 Uiso 1 1 calc R U . . . H8B H 0.202158 0.648825 0.693972 0.020 Uiso 1 1 calc R U . . . C1 C -0.00980(14) 0.61993(11) 0.40487(11) 0.0165(4) Uani 1 1 d . . . . . H1 H -0.072559 0.656275 0.410611 0.020 Uiso 1 1 calc R U . . . C16 C 0.46368(15) 0.61846(11) 0.96882(10) 0.0184(4) Uani 1 1 d . . . . . C24 C 0.28989(14) 0.29710(12) 0.47518(11) 0.0190(4) Uani 1 1 d . . . . . H24 H 0.219853 0.292849 0.491399 0.023 Uiso 1 1 calc R U . . . C23 C 0.31214(15) 0.23283(12) 0.41702(11) 0.0224(4) Uani 1 1 d . . . . . H23 H 0.257782 0.185361 0.395282 0.027 Uiso 1 1 calc R U . . . C22 C 0.41506(16) 0.23892(12) 0.39106(11) 0.0228(4) Uani 1 1 d . . . . . H22 H 0.429848 0.196173 0.351504 0.027 Uiso 1 1 calc R U . . . C21 C 0.49553(15) 0.30932(12) 0.42466(12) 0.0242(4) Uani 1 1 d . . . . . H21 H 0.564574 0.314228 0.407223 0.029 Uiso 1 1 calc R U . . . C26 C -0.19350(15) 0.66750(12) 0.25176(12) 0.0261(4) Uani 1 1 d . . . . . H26A H -0.252341 0.673612 0.194315 0.039 Uiso 1 1 calc R U . . . H26B H -0.167121 0.727528 0.275204 0.039 Uiso 1 1 calc R U . . . H26C H -0.228228 0.635907 0.291711 0.039 Uiso 1 1 calc R U . . . C25 C 0.19866(16) 0.49224(14) 0.21560(12) 0.0282(4) Uani 1 1 d . . . . . H25A H 0.190785 0.487273 0.153116 0.042 Uiso 1 1 calc R U . . . H25B H 0.219927 0.433287 0.243618 0.042 Uiso 1 1 calc R U . . . H25C H 0.260053 0.536253 0.242779 0.042 Uiso 1 1 calc R U . . . C28 C 0.71277(16) 0.71445(13) 0.90582(13) 0.0281(4) Uani 1 1 d . . . . . H28A H 0.664033 0.749981 0.856688 0.042 Uiso 1 1 calc R U . . . H28B H 0.745387 0.662387 0.883368 0.042 Uiso 1 1 calc R U . . . H28C H 0.776981 0.752065 0.941366 0.042 Uiso 1 1 calc R U . . . C27 C 0.17510(17) 0.51642(16) 0.95229(13) 0.0361(5) Uani 1 1 d . . . . . H27A H 0.130402 0.549053 0.899616 0.054 Uiso 1 1 calc R U . . . H27B H 0.131983 0.517764 0.995544 0.054 Uiso 1 1 calc R U . . . H27C H 0.186139 0.453664 0.937104 0.054 Uiso 1 1 calc R U . . . C30 C 0.55544(19) 0.22283(13) 0.73429(14) 0.0371(5) Uani 1 1 d . . . . . H30A H 0.534134 0.165144 0.703719 0.056 Uiso 1 1 calc R U . . . H30B H 0.545148 0.218655 0.792576 0.056 Uiso 1 1 calc R U . . . H30C H 0.637628 0.236831 0.739983 0.056 Uiso 1 1 calc R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 O1 0.0200(6) 0.0247(7) 0.0172(6) 0.0047(5) 0.0004(5) 0.0024(5) O4 0.0200(6) 0.0253(7) 0.0165(6) -0.0012(5) 0.0000(5) 0.0026(5) O6 0.0300(7) 0.0248(7) 0.0138(6) -0.0044(5) 0.0044(5) -0.0037(5) O2 0.0259(7) 0.0270(7) 0.0133(6) 0.0003(5) 0.0058(5) 0.0017(5) O5 0.0204(6) 0.0268(7) 0.0211(6) -0.0075(5) 0.0027(5) -0.0046(5) O7 0.0251(7) 0.0323(7) 0.0149(6) -0.0025(5) 0.0072(5) -0.0049(5) O3 0.0350(7) 0.0161(6) 0.0245(7) -0.0011(5) -0.0061(6) 0.0065(5) N1 0.0158(7) 0.0152(7) 0.0135(7) -0.0018(6) 0.0035(6) 0.0017(6) C5 0.0155(8) 0.0137(8) 0.0150(8) -0.0004(7) 0.0048(7) -0.0030(7) C6 0.0181(8) 0.0126(8) 0.0180(9) 0.0001(7) 0.0062(7) -0.0025(7) C10 0.0135(8) 0.0174(8) 0.0131(8) 0.0004(7) 0.0043(7) -0.0020(7) C11 0.0144(8) 0.0168(8) 0.0149(8) 0.0006(7) 0.0047(7) -0.0011(7) C12 0.0140(8) 0.0169(8) 0.0141(8) 0.0000(7) 0.0027(7) -0.0017(7) C2 0.0173(8) 0.0155(8) 0.0157(8) 0.0046(7) 0.0010(7) -0.0033(7) C13 0.0200(9) 0.0139(8) 0.0141(8) 0.0002(7) 0.0024(7) 0.0037(7) C29 0.0166(8) 0.0195(9) 0.0155(9) -0.0006(7) 0.0070(7) -0.0010(7) C19 0.0171(8) 0.0151(8) 0.0107(8) 0.0018(7) 0.0018(7) 0.0031(7) C9 0.0166(8) 0.0154(8) 0.0123(8) -0.0018(7) 0.0054(7) -0.0030(7) C15 0.0219(9) 0.0173(9) 0.0147(8) 0.0029(7) 0.0057(7) 0.0026(7) C4 0.0164(8) 0.0134(8) 0.0185(9) -0.0010(7) 0.0065(7) 0.0000(7) C17 0.0164(8) 0.0158(8) 0.0188(9) -0.0040(7) 0.0013(7) 0.0013(7) C18 0.0171(8) 0.0183(9) 0.0178(9) 0.0001(7) 0.0051(7) 0.0026(7) C20 0.0185(9) 0.0176(9) 0.0238(9) -0.0025(8) 0.0066(8) -0.0021(7) C14 0.0189(9) 0.0174(9) 0.0161(9) 0.0000(7) 0.0025(7) -0.0005(7) C3 0.0216(9) 0.0159(8) 0.0122(8) 0.0012(7) 0.0058(7) -0.0035(7) C7 0.0173(8) 0.0158(8) 0.0191(9) 0.0009(7) 0.0076(7) 0.0008(7) C8 0.0216(9) 0.0137(8) 0.0164(8) -0.0017(7) 0.0071(7) 0.0023(7) C1 0.0162(8) 0.0130(8) 0.0211(9) 0.0011(7) 0.0067(7) 0.0004(7) C16 0.0257(9) 0.0147(8) 0.0124(8) -0.0020(7) 0.0022(7) 0.0035(7) C24 0.0160(8) 0.0223(9) 0.0197(9) -0.0021(7) 0.0069(7) -0.0020(7) C23 0.0230(9) 0.0204(9) 0.0211(9) -0.0046(8) 0.0024(8) -0.0017(7) C22 0.0301(10) 0.0215(9) 0.0177(9) -0.0042(8) 0.0084(8) 0.0063(8) C21 0.0237(10) 0.0252(10) 0.0292(10) -0.0024(8) 0.0161(8) -0.0005(8) C26 0.0219(9) 0.0196(9) 0.0327(11) 0.0050(8) 0.0018(8) 0.0034(8) C25 0.0331(11) 0.0358(11) 0.0191(9) 0.0005(8) 0.0129(9) 0.0012(9) C28 0.0211(9) 0.0324(11) 0.0324(11) -0.0125(9) 0.0104(8) -0.0066(8) C27 0.0305(11) 0.0569(14) 0.0233(10) -0.0036(10) 0.0119(9) -0.0140(10) C30 0.0453(12) 0.0194(10) 0.0356(12) 0.0018(9) -0.0046(10) 0.0091(9) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C2 O1 C26 116.00(13) . . ? C16 O6 H6 109.5 . . ? C3 O2 C25 115.72(13) . . ? C17 O5 C28 117.02(13) . . ? C15 O7 C27 116.36(13) . . ? C29 O3 C30 115.86(14) . . ? C12 N1 C9 110.84(13) . . ? C12 N1 C8 127.91(13) . . ? C9 N1 C8 120.98(13) . . ? C6 C5 C9 118.79(14) . . ? C6 C5 C4 119.14(15) . . ? C4 C5 C9 122.07(14) . . ? C5 C6 C7 119.18(14) . . ? C1 C6 C5 119.54(14) . . ? C1 C6 C7 121.28(14) . . ? C11 C10 C19 126.23(14) . . ? C9 C10 C11 106.55(14) . . ? C9 C10 C19 127.19(14) . . ? C10 C11 C29 127.28(14) . . ? C12 C11 C10 108.37(14) . . ? C12 C11 C29 123.05(15) . . ? N1 C12 C11 106.61(14) . . ? N1 C12 C13 122.52(14) . . ? C11 C12 C13 130.68(15) . . ? O1 C2 C3 116.04(14) . . ? O1 C2 C1 124.84(14) . . ? C1 C2 C3 119.11(15) . . ? C18 C13 C12 120.35(14) . . ? C14 C13 C12 119.38(14) . . ? C14 C13 C18 120.26(15) . . ? O4 C29 O3 122.14(15) . . ? O4 C29 C11 126.53(15) . . ? O3 C29 C11 111.28(14) . . ? C20 C19 C10 119.78(14) . . ? C24 C19 C10 121.90(14) . . ? C24 C19 C20 118.31(14) . . ? N1 C9 C5 118.10(13) . . ? C10 C9 N1 107.56(14) . . ? C10 C9 C5 134.32(14) . . ? O7 C15 C14 124.96(15) . . ? O7 C15 C16 114.27(14) . . ? C14 C15 C16 120.76(15) . . ? C5 C4 H4 119.6 . . ? C3 C4 C5 120.74(15) . . ? C3 C4 H4 119.6 . . ? O5 C17 C18 125.07(14) . . ? O5 C17 C16 114.58(14) . . ? C18 C17 C16 120.35(15) . . ? C13 C18 H18 120.1 . . ? C17 C18 C13 119.83(15) . . ? C17 C18 H18 120.1 . . ? C19 C20 H20 119.7 . . ? C21 C20 C19 120.66(15) . . ? C21 C20 H20 119.7 . . ? C13 C14 H14 120.2 . . ? C15 C14 C13 119.55(15) . . ? C15 C14 H14 120.2 . . ? O2 C3 C2 115.66(14) . . ? O2 C3 C4 124.36(14) . . ? C4 C3 C2 119.98(14) . . ? C6 C7 H7A 109.5 . . ? C6 C7 H7B 109.5 . . ? C6 C7 C8 110.51(13) . . ? H7A C7 H7B 108.1 . . ? C8 C7 H7A 109.5 . . ? C8 C7 H7B 109.5 . . ? N1 C8 C7 109.58(13) . . ? N1 C8 H8A 109.8 . . ? N1 C8 H8B 109.8 . . ? C7 C8 H8A 109.8 . . ? C7 C8 H8B 109.8 . . ? H8A C8 H8B 108.2 . . ? C6 C1 H1 119.3 . . ? C2 C1 C6 121.37(14) . . ? C2 C1 H1 119.3 . . ? O6 C16 C15 122.29(14) . . ? O6 C16 C17 118.48(15) . . ? C15 C16 C17 119.22(14) . . ? C19 C24 H24 119.4 . . ? C19 C24 C23 121.10(15) . . ? C23 C24 H24 119.4 . . ? C24 C23 H23 119.9 . . ? C24 C23 C22 120.24(16) . . ? C22 C23 H23 119.9 . . ? C23 C22 H22 120.4 . . ? C21 C22 C23 119.16(15) . . ? C21 C22 H22 120.4 . . ? C20 C21 H21 119.7 . . ? C22 C21 C20 120.51(15) . . ? C22 C21 H21 119.7 . . ? O1 C26 H26A 109.5 . . ? O1 C26 H26B 109.5 . . ? O1 C26 H26C 109.5 . . ? H26A C26 H26B 109.5 . . ? H26A C26 H26C 109.5 . . ? H26B C26 H26C 109.5 . . ? O2 C25 H25A 109.5 . . ? O2 C25 H25B 109.5 . . ? O2 C25 H25C 109.5 . . ? H25A C25 H25B 109.5 . . ? H25A C25 H25C 109.5 . . ? H25B C25 H25C 109.5 . . ? O5 C28 H28A 109.5 . . ? O5 C28 H28B 109.5 . . ? O5 C28 H28C 109.5 . . ? H28A C28 H28B 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? O7 C27 H27A 109.5 . . ? O7 C27 H27B 109.5 . . ? O7 C27 H27C 109.5 . . ? H27A C27 H27B 109.5 . . ? H27A C27 H27C 109.5 . . ? H27B C27 H27C 109.5 . . ? O3 C30 H30A 109.5 . . ? O3 C30 H30B 109.5 . . ? O3 C30 H30C 109.5 . . ? H30A C30 H30B 109.5 . . ? H30A C30 H30C 109.5 . . ? H30B C30 H30C 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 O1 C2 1.3683(19) . ? O1 C26 1.428(2) . ? O4 C29 1.2109(19) . ? O6 H6 0.8200 . ? O6 C16 1.3636(19) . ? O2 C3 1.3722(19) . ? O2 C25 1.423(2) . ? O5 C17 1.3740(19) . ? O5 C28 1.422(2) . ? O7 C15 1.3713(19) . ? O7 C27 1.425(2) . ? O3 C29 1.345(2) . ? O3 C30 1.436(2) . ? N1 C12 1.361(2) . ? N1 C9 1.390(2) . ? N1 C8 1.466(2) . ? C5 C6 1.396(2) . ? C5 C9 1.462(2) . ? C5 C4 1.405(2) . ? C6 C7 1.504(2) . ? C6 C1 1.390(2) . ? C10 C11 1.433(2) . ? C10 C19 1.488(2) . ? C10 C9 1.379(2) . ? C11 C12 1.391(2) . ? C11 C29 1.459(2) . ? C12 C13 1.483(2) . ? C2 C3 1.408(2) . ? C2 C1 1.379(2) . ? C13 C18 1.389(2) . ? C13 C14 1.392(2) . ? C19 C20 1.392(2) . ? C19 C24 1.385(2) . ? C15 C14 1.385(2) . ? C15 C16 1.393(2) . ? C4 H4 0.9300 . ? C4 C3 1.375(2) . ? C17 C18 1.389(2) . ? C17 C16 1.393(2) . ? C18 H18 0.9300 . ? C20 H20 0.9300 . ? C20 C21 1.385(2) . ? C14 H14 0.9300 . ? C7 H7A 0.9700 . ? C7 H7B 0.9700 . ? C7 C8 1.515(2) . ? C8 H8A 0.9700 . ? C8 H8B 0.9700 . ? C1 H1 0.9300 . ? C24 H24 0.9300 . ? C24 C23 1.384(2) . ? C23 H23 0.9300 . ? C23 C22 1.385(2) . ? C22 H22 0.9300 . ? C22 C21 1.382(2) . ? C21 H21 0.9300 . ? C26 H26A 0.9600 . ? C26 H26B 0.9600 . ? C26 H26C 0.9600 . ? C25 H25A 0.9600 . ? C25 H25B 0.9600 . ? C25 H25C 0.9600 . ? C28 H28A 0.9600 . ? C28 H28B 0.9600 . ? C28 H28C 0.9600 . ? C27 H27A 0.9600 . ? C27 H27B 0.9600 . ? C27 H27C 0.9600 . ? C30 H30A 0.9600 . ? C30 H30B 0.9600 . ? C30 H30C 0.9600 . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag O1 C2 C3 O2 1.5(2) . . . . ? O1 C2 C3 C4 -178.12(14) . . . . ? O1 C2 C1 C6 178.80(14) . . . . ? O5 C17 C18 C13 -179.95(15) . . . . ? O5 C17 C16 O6 -0.5(2) . . . . ? O5 C17 C16 C15 178.77(14) . . . . ? O7 C15 C14 C13 -178.53(15) . . . . ? O7 C15 C16 O6 -0.6(2) . . . . ? O7 C15 C16 C17 -179.92(14) . . . . ? N1 C12 C13 C18 -111.83(17) . . . . ? N1 C12 C13 C14 69.9(2) . . . . ? C5 C6 C7 C8 34.5(2) . . . . ? C5 C6 C1 C2 -0.6(2) . . . . ? C5 C4 C3 O2 179.84(14) . . . . ? C5 C4 C3 C2 -0.6(2) . . . . ? C6 C5 C9 N1 -20.6(2) . . . . ? C6 C5 C9 C10 161.34(17) . . . . ? C6 C5 C4 C3 -2.4(2) . . . . ? C6 C7 C8 N1 -53.02(17) . . . . ? C10 C11 C12 N1 1.70(17) . . . . ? C10 C11 C12 C13 176.72(15) . . . . ? C10 C11 C29 O4 165.06(15) . . . . ? C10 C11 C29 O3 -17.5(2) . . . . ? C10 C19 C20 C21 -179.45(15) . . . . ? C10 C19 C24 C23 -179.38(15) . . . . ? C11 C10 C19 C20 -68.4(2) . . . . ? C11 C10 C19 C24 111.14(19) . . . . ? C11 C10 C9 N1 -1.12(16) . . . . ? C11 C10 C9 C5 177.07(16) . . . . ? C11 C12 C13 C18 73.8(2) . . . . ? C11 C12 C13 C14 -104.4(2) . . . . ? C12 N1 C9 C5 -176.25(13) . . . . ? C12 N1 C9 C10 2.28(17) . . . . ? C12 N1 C8 C7 -147.76(15) . . . . ? C12 C11 C29 O4 -29.5(2) . . . . ? C12 C11 C29 O3 148.00(15) . . . . ? C12 C13 C18 C17 -176.97(15) . . . . ? C12 C13 C14 C15 176.73(15) . . . . ? C29 C11 C12 N1 -166.14(14) . . . . ? C29 C11 C12 C13 8.9(3) . . . . ? C19 C10 C11 C12 177.71(14) . . . . ? C19 C10 C11 C29 -15.1(3) . . . . ? C19 C10 C9 N1 -179.16(14) . . . . ? C19 C10 C9 C5 -1.0(3) . . . . ? C19 C20 C21 C22 -1.3(3) . . . . ? C19 C24 C23 C22 -1.0(3) . . . . ? C9 N1 C12 C11 -2.46(17) . . . . ? C9 N1 C12 C13 -177.98(14) . . . . ? C9 N1 C8 C7 38.79(19) . . . . ? C9 C5 C6 C7 2.6(2) . . . . ? C9 C5 C6 C1 -177.10(14) . . . . ? C9 C5 C4 C3 177.68(14) . . . . ? C9 C10 C11 C12 -0.35(17) . . . . ? C9 C10 C11 C29 166.84(15) . . . . ? C9 C10 C19 C20 109.24(19) . . . . ? C9 C10 C19 C24 -71.2(2) . . . . ? C4 C5 C6 C7 -177.34(14) . . . . ? C4 C5 C6 C1 2.9(2) . . . . ? C4 C5 C9 N1 159.35(14) . . . . ? C4 C5 C9 C10 -18.7(3) . . . . ? C18 C13 C14 C15 -1.5(2) . . . . ? C18 C17 C16 O6 179.33(15) . . . . ? C18 C17 C16 C15 -1.4(2) . . . . ? C20 C19 C24 C23 0.2(2) . . . . ? C14 C13 C18 C17 1.3(2) . . . . ? C14 C15 C16 O6 -179.62(15) . . . . ? C14 C15 C16 C17 1.1(2) . . . . ? C3 C2 C1 C6 -2.4(2) . . . . ? C7 C6 C1 C2 179.72(14) . . . . ? C8 N1 C12 C11 -176.46(14) . . . . ? C8 N1 C12 C13 8.0(2) . . . . ? C8 N1 C9 C5 -1.8(2) . . . . ? C8 N1 C9 C10 176.75(13) . . . . ? C1 C6 C7 C8 -145.75(15) . . . . ? C1 C2 C3 O2 -177.42(14) . . . . ? C1 C2 C3 C4 3.0(2) . . . . ? C16 C15 C14 C13 0.3(2) . . . . ? C16 C17 C18 C13 0.2(2) . . . . ? C24 C19 C20 C21 1.0(2) . . . . ? C24 C23 C22 C21 0.6(3) . . . . ? C23 C22 C21 C20 0.5(3) . . . . ? C26 O1 C2 C3 178.93(14) . . . . ? C26 O1 C2 C1 -2.2(2) . . . . ? C25 O2 C3 C2 163.39(14) . . . . ? C25 O2 C3 C4 -17.0(2) . . . . ? C28 O5 C17 C18 9.1(2) . . . . ? C28 O5 C17 C16 -171.06(14) . . . . ? C27 O7 C15 C14 -4.2(2) . . . . ? C27 O7 C15 C16 176.82(16) . . . . ? C30 O3 C29 O4 -2.0(2) . . . . ? C30 O3 C29 C11 -179.63(14) . . . . ?