#------------------------------------------------------------------------------ #$Date: 2020-04-04 02:20:10 +0300 (Sat, 04 Apr 2020) $ #$Revision: 250015 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/77/1557731.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_1557731 loop_ _publ_author_name 'Khushi, Shamsunnahar' 'Salim, Angela A.' 'Elbanna, Ahmed H.' 'Nahar, Laizuman' 'Bernhardt, Paul V.' 'Capon, Robert J.' _publ_section_title ; Dysidealactams and Dysidealactones: Sesquiterpene Glycinyl-Lactams, Imides, and Lactones from a Dysidea sp. Marine Sponge Collected in Southern Australia ; _journal_name_full 'Journal of Natural Products' _journal_paper_doi 10.1021/acs.jnatprod.0c00041 _journal_year 2020 _chemical_absolute_configuration ad _chemical_formula_sum 'C17 H26 N O5.5' _chemical_formula_weight 332.39 _space_group_IT_number 5 _space_group_name_Hall 'C 2y' _space_group_name_H-M_alt 'C 1 2 1' _symmetry_cell_setting monoclinic _symmetry_Int_Tables_number 5 _symmetry_space_group_name_Hall 'C 2y' _symmetry_space_group_name_H-M 'C 1 2 1' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary dual _atom_sites_solution_secondary dual _audit_conform_dict_location ftp://ftp.iucr.org/pub/cif_core.dic _audit_conform_dict_name cif_core.dic _audit_conform_dict_version 2.4.5 _audit_creation_date 2019-10-17T14:37:28-00:00 _audit_creation_method 'WinGX routine CIF_UPDATE' _cell_angle_alpha 90 _cell_angle_beta 102.702(5) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 14.3803(5) _cell_length_b 5.9304(2) _cell_length_c 20.8174(14) _cell_measurement_reflns_used 1206 _cell_measurement_temperature 190(2) _cell_measurement_theta_max 54.02 _cell_measurement_theta_min 6.2 _cell_measurement_wavelength 0.71073 _cell_volume 1731.88(15) _computing_cell_refinement 'CrysalisPro (Agilent Technologies, )' _computing_data_collection 'CrysalisPro (Agilent Technologies, )' _computing_data_reduction 'CrysalisPro (Agilent Technologies, )' _computing_molecular_graphics 'Ortep for Windows (Farrugia, 2012)' _computing_publication_material 'WinGX publication routines (Farrugia, 2012)' _computing_structure_refinement 'SHELXL-2018/1 (Sheldrick, 2018)' _computing_structure_solution 'SHELXT-2014/5 (Sheldrick, 2015)' _diffrn_ambient_temperature 190(2) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 8.02 _diffrn_measured_fraction_theta_full 0.997 _diffrn_measured_fraction_theta_max 0.997 _diffrn_measurement_device '\k-geometry diffractometer' _diffrn_measurement_device_type 'Agilent Technologies Xcalibur, EosS2, Gemini ultra' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_UB_11 0.011093 _diffrn_orient_matrix_UB_12 -0.067626 _diffrn_orient_matrix_UB_13 0.072755 _diffrn_orient_matrix_UB_21 0.020128 _diffrn_orient_matrix_UB_22 0.247696 _diffrn_orient_matrix_UB_23 0.020765 _diffrn_orient_matrix_UB_31 -0.107369 _diffrn_orient_matrix_UB_32 0.039442 _diffrn_orient_matrix_UB_33 -0.005647 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54184 _diffrn_reflns_av_R_equivalents 0.0964 _diffrn_reflns_av_unetI/netI 0.091 _diffrn_reflns_Laue_measured_fraction_full 0.997 _diffrn_reflns_Laue_measured_fraction_max 0.997 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_k_max 6 _diffrn_reflns_limit_k_min -6 _diffrn_reflns_limit_l_max 23 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_number 7433 _diffrn_reflns_point_group_measured_fraction_full 0.991 _diffrn_reflns_point_group_measured_fraction_max 0.991 _diffrn_reflns_reduction_process ; Scaled and merged with Sortav R.H. Blessing, (1987) Cryst. Rev. 1, 3-58 R.H. Blessing, (1989) J. Appl. Cryst. 22, 396-397 ; _diffrn_reflns_theta_full 61.649 _diffrn_reflns_theta_max 61.649 _diffrn_reflns_theta_min 4.354 _diffrn_source 'fine-focus sealed X-ray tube' _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 0.783 _exptl_absorpt_correction_T_max 1 _exptl_absorpt_correction_T_min 0.728 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 1.275 _exptl_crystal_density_method 'not measured' _exptl_crystal_description plate _exptl_crystal_F_000 716 _exptl_crystal_size_max 0.3 _exptl_crystal_size_mid 0.08 _exptl_crystal_size_min 0.01 _refine_diff_density_max 0.182 _refine_diff_density_min -0.176 _refine_diff_density_rms 0.045 _refine_ls_abs_structure_details ; Flack x determined using 679 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack -0.2(4) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.033 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_constraints 0 _refine_ls_number_parameters 214 _refine_ls_number_reflns 2671 _refine_ls_number_restraints 1 _refine_ls_restrained_S_all 1.033 _refine_ls_R_factor_all 0.0779 _refine_ls_R_factor_gt 0.0565 _refine_ls_shift/su_max 0 _refine_ls_shift/su_mean 0 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0448P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1167 _refine_ls_wR_factor_ref 0.1301 _reflns_Friedel_coverage 0.79 _reflns_Friedel_fraction_full 0.985 _reflns_Friedel_fraction_max 0.985 _reflns_number_gt 2081 _reflns_number_total 2671 _reflns_threshold_expression 'I > 2\s(I)' _iucr_refine_instructions_details ; TITL shelxt_a.res in C2 shelx.res created by SHELXL-2018/1 at 14:36:53 on 17-Oct-2019 CELL 1.54184 14.3803 5.9304 20.8174 90.000 102.702 90.000 ZERR 4.00 0.0005 0.0002 0.0014 0.000 0.005 0.000 LATT -7 SYMM - X, Y, - Z SFAC C H O N UNIT 68 104 22 4 MERG 2 OMIT -2.00 125.00 FMAP 2 PLAN 40 SIZE 0.010 0.080 0.300 ACTA L.S. 10 TEMP -83.00 WGHT 0.044800 FVAR 3.60061 C1 1 0.674418 0.764318 0.284604 11.00000 0.03311 0.02933 = 0.04355 0.00395 0.00811 -0.00292 C2 1 0.763180 0.749223 0.258252 11.00000 0.02888 0.02021 = 0.03642 0.00244 0.00377 -0.00151 C3 1 0.772951 0.629506 0.196984 11.00000 0.03026 0.02690 = 0.03249 -0.00173 0.00578 -0.00351 C4 1 0.693398 0.697570 0.137858 11.00000 0.03299 0.04084 = 0.04361 0.00298 0.00199 0.00191 AFIX 23 H4A 2 0.631665 0.639056 0.144392 11.00000 -1.20000 H4B 2 0.689040 0.864077 0.135468 11.00000 -1.20000 AFIX 0 C5 1 0.711373 0.607232 0.073612 11.00000 0.04723 0.05051 = 0.03838 -0.00211 -0.00120 0.00457 AFIX 23 H5A 2 0.660334 0.660889 0.036791 11.00000 -1.20000 H5B 2 0.708795 0.440442 0.074188 11.00000 -1.20000 AFIX 0 C6 1 0.807257 0.681147 0.061951 11.00000 0.06338 0.03700 = 0.03665 -0.00211 0.01169 0.00554 AFIX 23 H6A 2 0.806076 0.846616 0.055531 11.00000 -1.20000 H6B 2 0.816611 0.610865 0.020699 11.00000 -1.20000 AFIX 0 C7 1 0.892723 0.621152 0.117662 11.00000 0.03910 0.03554 = 0.03779 -0.00178 0.01080 0.00317 C8 1 0.870761 0.706869 0.183413 11.00000 0.03118 0.02588 = 0.03708 -0.00267 0.01035 -0.00178 AFIX 13 H8 2 0.863455 0.873579 0.177030 11.00000 -1.20000 AFIX 0 C9 1 0.951174 0.682680 0.244701 11.00000 0.02877 0.03819 = 0.04609 -0.00401 0.00988 0.00138 AFIX 23 H9A 2 1.012943 0.717239 0.233297 11.00000 -1.20000 H9B 2 0.953539 0.525247 0.260797 11.00000 -1.20000 AFIX 0 C10 1 0.935433 0.843565 0.299321 11.00000 0.02583 0.03820 = 0.04402 -0.00150 0.00680 -0.00056 AFIX 23 H10A 2 0.975350 0.795708 0.342155 11.00000 -1.20000 H10B 2 0.954517 0.998409 0.289955 11.00000 -1.20000 AFIX 0 C11 1 0.833677 0.841333 0.302748 11.00000 0.03297 0.01887 = 0.03246 0.00196 0.00787 -0.00236 C12 1 0.795477 0.925414 0.359265 11.00000 0.03136 0.02058 = 0.03849 0.00283 0.00814 -0.00254 C13 1 0.915237 0.368581 0.117486 11.00000 0.05848 0.03075 = 0.05450 -0.00419 0.01751 0.00448 AFIX 33 H13A 2 0.860792 0.282210 0.125485 11.00000 -1.50000 H13B 2 0.927680 0.326272 0.074649 11.00000 -1.50000 H13C 2 0.971634 0.335759 0.152213 11.00000 -1.50000 AFIX 0 C14 1 0.980438 0.744388 0.104949 11.00000 0.05633 0.05078 = 0.05677 -0.00644 0.02793 -0.00636 AFIX 33 H14A 2 0.969337 0.907469 0.104618 11.00000 -1.50000 H14B 2 1.036050 0.707050 0.139827 11.00000 -1.50000 H14C 2 0.992096 0.697562 0.062263 11.00000 -1.50000 AFIX 0 C15 1 0.764626 0.375268 0.211238 11.00000 0.04521 0.02015 = 0.05939 -0.00166 0.01170 -0.00873 AFIX 33 H15A 2 0.770570 0.287795 0.172402 11.00000 -1.50000 H15B 2 0.815499 0.331864 0.248764 11.00000 -1.50000 H15C 2 0.702532 0.345023 0.221580 11.00000 -1.50000 AFIX 0 C16 1 0.637339 0.888114 0.390305 11.00000 0.03571 0.03325 = 0.05725 -0.00421 0.02186 -0.00057 AFIX 23 H16A 2 0.573691 0.945217 0.368093 11.00000 -1.20000 H16B 2 0.664438 0.993471 0.426472 11.00000 -1.20000 AFIX 0 C17 1 0.626876 0.659248 0.418482 11.00000 0.02830 0.03503 = 0.04501 0.00044 0.01194 0.00230 O1 3 0.595255 0.689968 0.261401 11.00000 0.02877 0.05413 = 0.05954 -0.00371 0.00747 -0.01075 O2 3 0.837588 1.013041 0.409908 11.00000 0.03966 0.03327 = 0.04402 -0.00353 0.00649 0.00057 O3 3 0.679996 0.502085 0.417126 11.00000 0.04695 0.04288 = 0.08419 0.00477 0.02874 0.01098 O4 3 0.551492 0.648865 0.444666 11.00000 0.03985 0.03777 = 0.05547 0.00300 0.02282 0.00256 AFIX 147 H4 2 0.549267 0.521773 0.462078 11.00000 -1.50000 AFIX 0 O5 3 0.500000 0.281712 0.500000 10.50000 0.03756 0.02983 = 0.05393 0.00000 0.00146 0.00000 AFIX 3 H5C 2 0.463194 0.201058 0.475458 11.00000 -1.20000 AFIX 0 O6 3 0.381793 -0.010991 0.421044 11.00000 0.03930 0.03137 = 0.08938 0.00339 -0.00144 -0.00139 AFIX 3 H6C 2 0.417295 -0.116586 0.428964 11.00000 -1.20000 H6D 2 0.327596 0.003262 0.424469 11.00000 -1.20000 AFIX 0 N1 4 0.698291 0.882203 0.343757 11.00000 0.03281 0.04160 = 0.04042 -0.00057 0.01182 -0.00913 HKLF 4 REM shelxt_a.res in C2 REM R1 = 0.0565 for 2081 Fo > 4sig(Fo) and 0.0779 for all 2671 data REM 214 parameters refined using 1 restraints END WGHT 0.0439 0.0000 REM Highest difference peak 0.182, deepest hole -0.176, 1-sigma level 0.045 Q1 1 0.7297 0.2224 0.1776 11.00000 0.05 0.18 Q2 1 0.3636 -0.0124 0.4678 11.00000 0.05 0.17 Q3 1 0.4379 0.1468 0.4468 11.00000 0.05 0.16 Q4 1 0.8369 0.2703 0.0893 11.00000 0.05 0.16 Q5 1 0.8277 0.6632 -0.0012 11.00000 0.05 0.15 Q6 1 0.7584 0.7366 0.3250 11.00000 0.05 0.15 Q7 1 0.5146 0.2469 0.4517 11.00000 0.05 0.15 Q8 1 0.9941 0.8881 0.3532 11.00000 0.05 0.15 Q9 1 0.7197 0.4626 0.3578 11.00000 0.05 0.14 Q10 1 0.5993 0.7834 0.0237 11.00000 0.05 0.14 Q11 1 0.6076 0.7507 0.4902 11.00000 0.05 0.14 Q12 1 0.8408 0.0677 0.0903 11.00000 0.05 0.14 Q13 1 0.7371 0.2465 0.2704 11.00000 0.05 0.14 Q14 1 0.7573 0.9424 0.4260 11.00000 0.05 0.14 Q15 1 1.0000 0.8702 0.0000 10.50000 0.05 0.14 Q16 1 0.2835 0.1774 0.4854 11.00000 0.05 0.14 Q17 1 1.0546 0.8518 0.3294 11.00000 0.05 0.13 Q18 1 0.8029 1.1623 0.4681 11.00000 0.05 0.13 Q19 1 1.0369 0.6610 0.1148 11.00000 0.05 0.13 Q20 1 0.8411 0.8121 0.2296 11.00000 0.05 0.13 Q21 1 1.0000 0.5259 0.0000 10.50000 0.05 0.13 Q22 1 0.8271 1.0096 0.4561 11.00000 0.05 0.13 Q23 1 0.8756 0.2095 0.2332 11.00000 0.05 0.13 Q24 1 0.8566 0.9965 0.4640 11.00000 0.05 0.13 Q25 1 0.3992 0.0260 0.4302 11.00000 0.05 0.13 Q26 1 0.9592 0.2991 0.1720 11.00000 0.05 0.13 Q27 1 0.6142 1.0306 0.4376 11.00000 0.05 0.13 Q28 1 0.7407 0.3278 0.3232 11.00000 0.05 0.13 Q29 1 0.7219 0.3365 0.3754 11.00000 0.05 0.13 Q30 1 0.6753 0.2880 0.4584 11.00000 0.05 0.12 Q31 1 0.4797 0.6955 0.4770 11.00000 0.05 0.12 Q32 1 0.6169 0.5788 0.5019 11.00000 0.05 0.12 Q33 1 0.4749 -0.0083 0.4178 11.00000 0.05 0.12 Q34 1 0.7192 0.5850 0.4728 11.00000 0.05 0.12 Q35 1 0.4342 0.3993 0.4408 11.00000 0.05 0.12 Q36 1 0.8300 0.9129 0.4092 11.00000 0.05 0.12 Q37 1 0.9813 0.9102 0.2426 11.00000 0.05 0.12 Q38 1 0.9556 0.3282 0.0817 11.00000 0.05 0.12 Q39 1 0.3949 0.3837 0.4676 11.00000 0.05 0.12 Q40 1 0.5426 0.6296 0.3064 11.00000 0.05 0.12 ; _cod_data_source_file np0c00041_si_003.cif _cod_data_source_block shelx _cod_original_sg_symbol_H-M 'C 2' _cod_original_formula_sum 'C17 H26 N O5.50' _cod_database_code 1557731 _shelx_estimated_absorpt_t_min 0.799 _shelx_estimated_absorpt_t_max 0.992 _shelx_shelxl_version_number 2018/1 _iucr_refine_reflections_details ; 0 -6 0 5043.36 827.083 16 0 -6 -1 1924.16 570.298 16 0 -6 -2 3237.61 656.916 16 0 -6 -3 629.519 499.106 16 0 -6 -4 706.991 464.680 16 0 -6 4-966.292 403.205 21 0 -6 -5 2233.09 709.518 16 0 -6 5 1328.26 460.176 21 0 -6 -6 2908.31 725.836 16 0 -6 6 1168.41 441.883 21 0 -6 7 4506.51 776.467 21 0 -6 -7 5487.63 878.706 16 0 -6 8 4753.19 778.222 21 0 -6 -8 5126.72 841.943 16 0 -6 9 375.904 333.004 21 0 -6 -9 198.322 279.428 16 0 -6 10 767.408 446.255 21 0 -6 -10 595.966 319.401 16 0 -4 0 18597.6 1354.55 21 0 -4 0 19094.3 1449.47 16 0 -4 1 6837.23 858.242 16 0 -4 -1 7470.15 928.368 16 0 -4 1 7786.55 868.872 21 0 -4 1 8669.70 1803.45 3 0 -4 2 2475.03 514.160 21 0 -4 2 2553.06 964.870 3 0 -4 -2 2250.44 597.079 16 0 -4 2 1674.04 413.727 16 0 -4 3 1270.70 428.321 16 0 -4 3 2377.87 985.255 3 0 -4 3 1530.02 451.710 21 0 -4 -3 1306.93 497.985 16 0 -4 4 3591.05 655.093 21 0 -4 -4 3034.02 607.340 16 0 -4 4 3302.53 1241.59 3 0 -4 5 7913.44 1830.22 3 0 -4 5 8883.04 991.315 21 0 -4 -5 9529.79 1100.83 16 0 -4 6 13182.4 1244.46 21 0 -4 -6 13262.4 1344.08 16 0 -4 6 9131.78 1989.15 3 0 -4 -7 11950.6 1271.27 16 0 -4 7 9681.25 2114.89 3 0 -4 7 11559.7 1193.53 21 0 -4 8 2289.19 602.682 21 0 -4 -8 2310.96 660.400 16 0 -4 -9 9270.58 1184.44 16 0 -4 9 9170.29 1140.10 21 0 -4 10 11509.4 1304.22 21 0 -4 -10 11944.3 1344.35 16 0 -4 11 1081.21 495.764 21 0 -4 -11 2646.23 723.904 16 0 -4 12 12128.7 1398.88 21 0 -4 -12 13236.0 1424.60 16 0 -4 13 4214.95 901.233 21 0 -4 -13 3004.17 718.982 16 0 -4 14 617.670 508.739 6 0 -4 -14 26.9833 295.207 16 0 -4 15 1113.99 557.350 29 0 -4 15 1050.50 558.635 6 0 -4 15 1871.32 652.746 21 0 -4 16 2423.99 741.609 29 0 -4 16 1870.22 576.009 21 0 -4 16 2569.74 676.528 6 0 -4 17 409.515 415.851 21 0 -4 17-26.8880 365.153 6 0 -4 17 252.114 415.386 29 0 -4 18 854.867 391.314 6 0 -4 18 365.324 311.698 21 0 -4 18 880.617 425.847 29 0 -2 0 56525.8 2797.14 2 0 -2 1 105721. 3897.91 2 0 -2 -1 109145. 4285.89 2 0 -2 2 110507. 4033.41 2 0 -2 3 81790.1 3825.57 3 0 -2 3 78926.7 3496.73 2 0 -2 4 94395.3 4283.82 3 0 -2 5 119881. 5087.11 3 0 -2 6 56563.9 3512.13 3 0 -2 7 11367.9 1689.85 3 0 -2 8 15769.4 2093.87 3 0 -2 9 4163.06 1098.82 3 0 -2 10 15776.4 2250.91 3 0 -2 10 14195.9 1128.69 21 0 -2 -10 13145.8 1045.71 25 0 -2 -11 7536.76 828.556 25 0 -2 11 7305.88 1637.68 3 0 -2 11 7537.83 866.131 21 0 -2 12 7333.44 867.812 6 0 -2 12 5189.21 758.676 21 0 -2 12 4842.38 1394.17 3 0 -2 -12 6174.41 794.891 25 0 -2 13 1211.06 990.083 3 0 -2 13 1290.28 481.620 6 0 -2 -13 994.241 397.899 25 0 -2 13 1570.30 529.856 21 0 -2 14 2791.85 647.330 6 0 -2 14 925.983 868.040 3 0 -2 14 2338.32 713.323 29 0 -2 -14 3103.19 730.294 25 0 -2 14 2315.28 644.411 21 0 -2 -15 4627.44 825.704 25 0 -2 15 4430.67 804.592 21 0 -2 15 5566.85 1035.35 29 0 -2 15 4991.35 814.611 6 0 -2 -16 10792.8 1221.01 25 0 -2 16 13264.9 1374.44 6 0 -2 16 9849.90 1340.74 29 0 -2 16 9047.96 1132.22 21 0 -2 17 1673.87 652.390 29 0 -2 17 1814.08 609.777 6 0 -2 -17 1804.45 595.952 25 0 -2 18 1617.84 653.151 6 0 -2 -18 1877.77 585.347 25 0 -2 18 968.327 656.889 29 0 -2 19 84.2517 374.516 29 0 -2 -19 1594.19 587.989 25 0 -2 19 733.545 510.269 6 0 -2 20-75.9936 323.797 6 0 -2 -20 2012.16 638.574 25 0 -2 -21 970.750 494.511 25 0 -2 -22-175.484 293.033 25 0 0 2 38193.1 1420.66 3 0 0 3 8221.11 763.025 3 0 0 4 51750.2 2278.57 3 0 0 5 446.506 440.517 3 0 0 6 249118. 7287.16 3 0 0 7 54463.7 3192.59 4 0 0 7 50552.7 3059.12 3 0 0 8 3840.28 1022.84 3 0 0 8 4371.24 1034.54 4 0 0 9 976.643 724.764 4 0 0 10 3339.93 1135.32 4 0 0 11 3960.27 1153.43 4 0 0 12 5984.02 1482.29 4 0 0 12 6102.48 750.210 6 0 0 12 6214.32 781.827 29 0 0 -12 4515.85 657.428 25 0 0 13 35261.1 1960.53 29 0 0 -13 37204.5 1958.88 25 0 0 13 36728.5 3713.33 4 0 0 13 36918.5 1920.82 6 0 0 -13 32874.6 1771.41 15 0 0 -14 5241.80 798.183 25 0 0 14 4914.34 726.189 6 0 0 14 5429.50 1592.37 4 0 0 -15 1854.57 532.313 25 0 0 15 1704.84 984.428 4 0 0 15 1315.66 442.680 6 0 0 16 4530.88 769.926 6 0 0 -16 5332.08 866.939 25 0 0 -17 7530.98 1024.20 25 0 0 17 8005.51 1109.66 31 0 0 18 2631.06 726.493 31 0 0 -18 3335.81 734.668 25 0 0 19 119.723 521.524 31 0 0 -19-442.754 397.828 25 0 0 20 1905.97 597.773 31 0 0 -20 2219.96 661.082 25 0 0 21 2322.34 615.114 31 0 0 21 2381.52 694.263 23 0 0 -21 2480.23 663.326 25 0 0 22 206.443 489.597 23 0 0 -22 422.580 370.627 25 0 0 22 846.674 444.400 31 0 0 -23 194.722 256.661 25 0 2 0 56881.5 3293.53 1 0 2 1 112470. 4884.60 1 0 2 -1 115955. 4909.21 1 0 2 2 114385. 5000.44 1 0 2 3 80276.1 4146.10 1 0 2 4 87406.4 4343.33 1 0 2 5 111556. 4881.74 4 0 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545.189 6 2 -4 16 370.527 352.782 29 2 -4 16 677.591 399.708 21 2 -4 16 140.363 419.248 6 2 -4 17 932.172 453.748 29 2 -4 17 797.488 431.509 6 2 -2 -22 138.774 296.807 25 2 -2 -21 2276.63 593.698 25 2 -2 -20 2719.64 629.554 25 -2 -2 20 2809.23 643.524 6 -2 -2 19 71.3946 280.610 21 -2 -2 19 252.036 493.627 6 2 -2 -19 1011.14 568.242 25 2 -2 -18 1227.57 537.900 25 -2 -2 18 355.987 552.613 29 -2 -2 18 898.929 465.528 21 -2 -2 18-187.219 449.046 6 -2 -2 17 1456.98 605.822 6 2 -2 -17 1731.32 572.306 25 -2 -2 17 1025.64 618.879 29 -2 -2 17 945.089 495.416 21 -2 -2 16 2933.61 747.427 21 -2 -2 16 1715.56 590.950 29 -2 -2 16 2872.63 741.206 6 2 -2 -16 2897.69 669.642 25 -2 -2 15 517.909 526.264 6 -2 -2 15 534.810 407.440 21 -2 -2 15 179.431 491.081 29 2 -2 -15 603.952 456.681 25 2 -2 -14 2544.82 575.867 25 -2 -2 14 3847.56 767.397 21 -2 -2 14 2367.71 1413.71 4 -2 -2 14 4312.32 845.280 29 -2 -2 14 3942.21 748.665 6 -2 -2 14 2320.54 1156.05 3 -2 -2 13 5778.08 784.568 6 2 -2 -13 5748.95 765.669 25 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1109.96 536.541 23 2 0 -22 73.7718 339.828 25 -2 0 22 343.637 418.780 31 -2 0 21 347.326 302.561 31 2 0 -21 647.006 445.700 25 2 0 -20 1927.79 653.794 25 -2 0 20 749.247 426.225 31 -2 0 19 763.133 495.026 31 2 0 -19 79.6055 480.530 25 2 0 -18 1234.29 646.333 25 -2 0 18 591.044 449.595 31 2 0 -17 6383.91 966.308 25 -2 0 17 5121.50 874.026 31 -2 0 16 30794.7 1976.23 31 2 0 -16 33391.0 2067.80 25 -2 0 16 31796.3 1993.57 6 -2 0 15 3621.31 643.295 6 -2 0 15 3813.48 725.401 31 2 0 -15 3858.01 758.938 25 -2 0 15 3053.29 1255.92 4 2 0 -14 12473.5 1195.26 25 -2 0 14 10847.7 1030.99 6 -2 0 14 12979.8 2396.67 4 -2 0 13-2.23062 213.736 21 -2 0 13-437.012 346.551 6 -2 0 13-361.462 607.260 4 -2 0 12 269.894 249.866 6 -2 0 12 433.721 754.378 4 -2 0 12-54.6607 293.724 29 -2 0 11 10626.1 1919.13 4 -2 0 10 3374.28 1111.83 4 -2 0 9 74411.9 4401.85 4 -2 0 8 54687.6 3498.87 4 -2 0 7 9040.71 1310.69 4 -2 0 6-303.240 464.154 4 -2 0 5 44701.6 2498.79 4 -2 0 4 8695.24 1019.66 4 -2 0 3 39204.9 1914.15 4 2 0 -2 5184.74 326.509 1 -2 0 2 7482.44 703.112 4 -2 0 1 45852.7 1743.33 2 -2 0 1 45857.0 1633.00 4 -2 0 0 80067.5 2233.59 4 -2 0 0 82164.4 2437.46 2 2 0 1 6327.62 487.153 3 2 0 2 151433. 3882.41 3 2 0 3 23516.3 1390.53 3 2 0 4 21332.3 1505.56 3 2 0 5 103705. 4016.80 3 2 0 6 87.6470 419.901 3 2 0 7 20547.9 1992.76 3 2 0 8 10286.8 1557.63 3 2 0 9 1656.11 798.103 3 2 0 9 2688.79 815.962 4 2 0 10 4040.86 1034.35 4 2 0 11 14153.0 2029.39 4 2 0 11 16897.3 1186.05 6 -2 0 -11 15360.8 1219.15 15 -2 0 -11 14895.8 1124.80 25 -2 0 -12-67.9137 295.025 25 2 0 12 921.619 414.640 6 -2 0 -12 552.043 438.278 15 -2 0 -13 2507.53 618.227 15 2 0 13 2016.90 467.461 6 -2 0 -13 2830.79 666.019 25 -2 0 -14 11306.7 1141.11 25 -2 0 -14 12083.2 1255.91 15 2 0 14 11819.0 1164.42 6 -2 0 -15 31404.0 1966.84 25 2 0 15 29547.8 1914.21 6 -2 0 -16 5549.18 941.649 25 2 0 17 710.556 560.949 31 -2 0 -17 727.498 488.066 25 -2 0 -18 11344.3 1258.38 25 2 0 18 11727.6 1321.35 31 2 0 19 1848.64 595.225 31 -2 0 -19 602.638 471.247 25 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1373.51 4 -5 1 13 4890.65 737.489 11 -5 1 13 4325.04 1495.08 4 -5 1 13 4408.89 759.564 30 -5 1 12 741.618 471.456 34 -5 1 12 150.882 361.691 30 -5 1 12 548.683 864.076 4 -5 1 12 43.5304 269.023 11 -5 1 11 6529.84 861.771 30 -5 1 11 5783.49 1612.44 4 -5 1 11 7462.01 956.233 34 -5 1 11 6360.29 780.332 11 -5 1 10 1757.58 1011.26 4 -5 1 9 16274.2 2252.81 4 -5 1 8 30977.4 2985.70 4 -5 1 7 5505.12 1223.24 4 -5 1 6 15754.0 1958.51 4 -5 1 5 41203.6 2965.83 4 5 1 -5 33292.2 2276.57 1 5 1 -4 75424.8 3592.80 1 -5 1 4 77509.2 4044.70 4 -5 1 3 5174.58 1066.68 4 5 1 -3 5416.10 1001.03 1 5 1 -2 37746.1 2514.31 1 5 1 -1 2332.12 705.508 1 5 1 0 49136.2 3141.21 1 5 1 1 32206.7 2638.36 1 5 1 2 22965.8 2318.95 1 5 1 3 1881.09 838.237 1 5 1 4 27076.6 2801.50 1 5 1 5 12608.3 2105.40 1 5 1 6 45864.5 3994.80 1 -5 1 -7 12444.4 1099.91 15 -5 1 -7 12149.7 1039.08 9 5 1 7 13652.3 2237.01 1 5 1 8 2606.74 1243.57 1 -5 1 -8 3061.49 518.172 10 -5 1 -8 2608.48 567.116 9 -5 1 -8 3172.79 622.554 15 -5 1 -9 800.081 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2156.01 774.177 8 -7 3 15 1330.78 673.326 8 -7 3 15 1246.32 621.151 17 -7 3 14 4705.66 959.259 17 -7 3 14 4409.07 1016.11 8 -7 3 13 2841.58 778.118 17 -7 3 13 2484.39 754.322 8 -7 3 12 781.787 639.927 8 -7 3 12 1082.44 572.601 22 -7 3 12 836.997 478.281 17 -7 3 11 11995.6 1398.76 17 -7 3 11 10543.3 1468.85 8 -7 3 11 11543.8 1296.19 22 -7 3 10 1900.79 714.978 8 -7 3 10 1634.23 658.826 22 -7 3 10 1617.67 631.304 17 -7 3 9 5762.44 969.630 17 -7 3 9 6181.34 1016.69 8 -7 3 9 6590.89 1016.35 22 -7 3 8 455.309 464.712 17 -7 3 8 425.721 476.128 8 -7 3 8 350.430 449.562 22 -7 3 7 3991.70 812.632 17 -7 3 7 4532.46 870.097 8 -7 3 7 4235.43 863.769 22 -7 3 6 7425.74 1005.80 17 -7 3 6 7100.34 960.770 8 -7 3 6 6688.74 1096.56 22 -7 3 5 6245.35 985.396 17 -7 3 5 5303.42 881.357 8 -7 3 5 6030.70 989.469 22 -7 3 5 7122.01 1080.88 32 7 3 -4 1800.18 984.086 1 -7 3 4 3619.52 763.163 17 -7 3 4 2874.43 740.031 32 -7 3 4 3258.19 717.133 8 -7 3 4 3106.03 780.877 22 -7 3 3 8123.81 1071.99 17 7 3 -3 7211.37 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635.651 20 -7 3 -6 343.715 345.029 10 -7 3 -6 158.203 464.223 15 -7 3 -7 1484.13 527.463 10 -7 3 -7 1835.49 605.200 9 -7 3 -7 2512.05 784.529 15 -7 3 -8 1468.96 672.716 15 -7 3 -8 1407.56 555.857 10 -7 3 -8 2585.15 676.173 9 -7 3 -9 2084.91 621.206 9 -7 3 -9 2948.19 662.469 10 -7 3 -9 3049.49 761.708 15 -7 3 -10 1663.10 595.194 10 -7 3 -10 2617.35 753.906 15 -7 3 -10 1704.13 665.336 9 -7 3 -11 2677.13 724.704 10 -7 3 -11 3018.65 810.748 15 -7 3 -12 2111.98 572.916 10 -7 3 -12 2800.09 755.115 15 -7 3 -13 2614.88 623.267 10 -7 3 -13 1982.94 667.748 28 -7 3 -13 3155.24 780.512 15 -7 3 -14 23.1302 288.926 10 -7 3 -14 191.965 343.407 15 -7 3 -14-595.123 479.713 28 -7 3 -15 427.483 354.722 15 -7 3 -15-260.610 427.474 28 -7 3 -16-308.675 345.156 28 -7 5 14 111.849 331.589 32 -7 5 13 36.7296 293.119 32 -7 5 12 453.896 418.251 32 -7 5 11 1148.93 494.191 32 -7 5 10 2840.39 710.930 32 -7 5 9 519.286 379.737 32 -7 5 8 1593.16 601.033 32 -7 5 7 2336.78 674.178 10 -7 5 7 913.688 534.037 32 -7 5 6 460.640 470.080 32 -7 5 6 865.725 460.111 10 -7 5 5 1292.76 437.398 10 -7 5 5 2194.61 654.256 15 -7 5 5 958.025 464.232 20 -7 5 5 1580.90 527.862 32 -7 5 4 596.021 588.104 15 -7 5 4-149.213 306.850 10 -7 5 4 415.278 431.067 20 -7 5 4 718.206 463.394 32 -7 5 3 3038.13 630.860 10 -7 5 3 4237.90 905.106 15 -7 5 3 2752.65 762.534 20 -7 5 3 2734.74 692.218 32 -7 5 2 6138.52 883.524 10 -7 5 2 7452.73 1131.39 15 -7 5 2 6959.67 1102.01 20 -7 5 1 823.377 390.103 17 -7 5 1 744.405 593.201 15 -7 5 1 738.814 494.973 20 -7 5 1 1578.91 528.020 10 -7 5 0 418.891 422.709 17 -7 5 0-137.591 349.642 10 -7 5 0 103.319 479.195 15 -7 5 0 774.616 526.532 20 -7 5 -1 1038.04 421.180 10 -7 5 -1 1957.73 619.577 15 -7 5 -1 1715.17 614.779 20 -7 5 -2-169.966 356.731 10 -7 5 -2 967.762 611.060 15 -7 5 -2 334.571 436.508 20 -7 5 -3-229.311 379.106 10 -7 5 -3 1242.49 578.837 15 -7 5 -4-73.5174 319.418 10 -7 5 -4-78.5281 370.127 15 -7 5 -5-202.637 335.573 10 -7 5 -5 903.269 497.056 15 -7 5 -6 1311.12 464.919 15 -7 5 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564.566 14 -8 -4 4 7193.16 1051.61 5 -8 -4 4 7558.78 1096.74 14 -8 -4 4 7328.90 1114.02 16 -8 -4 3 6536.83 1058.21 5 -8 -4 3 6811.24 1103.61 16 -8 -4 3 7219.22 1177.35 14 -8 -4 2 6573.95 1083.52 16 -8 -4 2 6287.90 1042.32 5 -8 -4 2 6104.46 1010.77 14 -8 -4 1 1901.41 694.100 16 -8 -4 1 1747.11 625.426 5 -8 -4 1 2012.06 659.686 14 -8 -4 1 1955.92 626.331 18 -8 -4 0 1941.73 692.903 16 -8 -4 0 1335.85 659.924 26 -8 -4 0 1250.32 764.418 5 -8 -4 0 322.956 582.640 14 -8 -4 0 234.416 366.327 18 -8 -4 -1 1225.23 682.180 14 -8 -4 -1 1605.10 596.782 16 -8 -4 -1-76.6566 405.717 18 -8 -4 -2 2075.94 707.020 16 -8 -4 -2 1926.44 599.572 14 -8 -4 -2 1874.87 637.532 18 -8 -4 -3 5219.25 946.223 14 -8 -4 -3 3789.80 865.297 27 -8 -4 -3 6267.68 1040.32 16 -8 -4 -3 5907.89 1069.26 18 -8 -4 -4 2400.71 656.520 16 8 -4 4 1550.07 768.231 21 -8 -4 -4 1622.35 647.262 27 -8 -4 -4 2295.97 751.957 18 -8 -4 -5 6421.33 1184.99 18 -8 -4 -5 6316.70 975.404 16 -8 -4 -5 5442.34 997.020 27 8 -4 5 6528.55 940.845 21 -8 -4 -6 3395.07 922.585 18 -8 -4 -6 1818.36 557.786 16 -8 -4 -6 1979.26 715.581 27 8 -4 6 2314.24 573.188 21 -8 -4 -7 373.369 512.970 27 8 -4 7 758.078 398.648 21 -8 -4 -8 2418.97 782.469 18 -8 -4 -8 2483.22 772.378 27 8 -4 8 1588.87 497.707 21 -8 -4 -9 538.026 508.782 18 -8 -4 -9 285.774 485.395 27 -8 -4 -10 3060.76 803.583 18 -8 -4 -10 2514.44 689.269 27 -8 -4 -11 3337.03 720.914 27 -8 -4 -11 3749.24 768.744 18 -8 -4 -12 1453.72 481.395 27 -8 -4 -12 1191.62 480.392 18 -8 -2 21 1080.15 444.050 11 -8 -2 20 1039.48 460.658 11 -8 -2 20 547.837 389.048 21 -8 -2 19 508.352 450.512 11 -8 -2 19 859.842 392.453 21 -8 -2 18 1389.17 632.638 11 -8 -2 18 1495.55 603.717 21 -8 -2 17 5317.57 980.243 11 -8 -2 17 2920.19 685.616 22 -8 -2 17 5400.21 1034.67 21 -8 -2 16 1716.73 586.811 11 -8 -2 16 1217.09 478.200 22 -8 -2 16 1099.55 563.046 21 -8 -2 15 2885.77 761.846 11 -8 -2 15 2926.79 802.493 22 -8 -2 15 2634.61 774.054 21 -8 -2 14 3454.99 788.858 11 -8 -2 14 2784.81 791.001 22 -8 -2 14 2006.17 659.507 21 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3695.76 690.671 13 -8 -2 -3 3128.31 1185.89 2 -8 -2 -3 3822.18 754.150 12 -8 -2 -4 1805.52 606.146 18 -8 -2 -4 873.637 488.836 33 -8 -2 -4 1605.05 540.768 27 -8 -2 -4 532.885 359.215 13 -8 -2 -4 1756.32 956.563 2 -8 -2 -4 1611.70 485.667 12 -8 -2 -5 464.126 521.404 18 -8 -2 -5 1471.08 645.276 33 -8 -2 -5 446.079 367.837 27 -8 -2 -5 576.324 422.850 13 -8 -2 -5 330.139 768.281 2 -8 -2 -5 485.645 408.971 12 -8 -2 -6 7517.52 1190.07 18 -8 -2 -6 6185.40 1041.38 27 -8 -2 -6 5597.13 918.167 13 -8 -2 -6 4507.61 1647.75 2 -8 -2 -6 6353.63 998.325 12 -8 -2 -7 5741.94 1013.74 18 -8 -2 -7 5324.19 996.091 27 -8 -2 -7 4510.65 849.149 13 -8 -2 -7 6542.68 1057.11 12 -8 -2 -8 2.49636 509.149 18 -8 -2 -8 308.319 611.064 27 -8 -2 -8 106.624 370.727 13 -8 -2 -8-238.647 402.301 12 -8 -2 -9 1824.48 784.709 18 -8 -2 -9 1948.44 826.249 27 -8 -2 -9 1851.51 586.065 13 -8 -2 -9 2279.62 750.017 12 -8 -2 -10 805.167 512.956 18 -8 -2 -10 654.823 487.675 27 -8 -2 -10 417.682 466.237 13 -8 -2 -10 920.767 560.963 12 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858.585 4 -8 0 8 2171.82 544.742 14 -8 0 8 2036.55 644.739 22 -8 0 8 1864.62 427.789 7 -8 0 8 2017.17 485.638 19 -8 0 8 1846.48 539.350 11 -8 0 7 499.561 638.131 4 -8 0 7 1011.04 432.727 14 -8 0 7 516.857 428.210 22 -8 0 7 253.407 241.027 7 -8 0 7 445.999 300.468 17 -8 0 7 588.496 316.586 19 -8 0 7 667.604 351.851 18 -8 0 7 769.552 358.962 11 -8 0 6 563.916 511.879 4 -8 0 6 1422.35 465.142 14 -8 0 6 995.680 458.399 22 -8 0 6 484.337 191.013 7 -8 0 6 729.827 356.662 18 -8 0 6 1551.18 505.979 11 -8 0 5 10773.6 965.579 14 -8 0 5 10806.4 1050.57 22 -8 0 5 9537.28 907.299 11 -8 0 5 10035.1 983.417 18 -8 0 4 10551.6 994.223 14 -8 0 4 9704.44 952.605 13 -8 0 4 9269.62 867.352 11 -8 0 4 11042.3 1018.56 18 -8 0 3 11832.0 1050.74 14 -8 0 3 10953.3 988.360 13 -8 0 3 12855.7 1105.89 18 -8 0 2-100.974 398.985 2 -8 0 2 42.5844 224.604 13 -8 0 1 198.011 410.724 2 -8 0 1-195.949 307.966 13 -8 0 1-89.6072 297.273 12 8 0 -1 44.6847 410.029 1 -8 0 0 8097.72 782.124 33 -8 0 0 8329.49 1402.13 2 -8 0 0 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14045.5 1249.25 18 -8 0 -6 765.898 437.146 33 -8 0 -6 530.169 409.751 15 -8 0 -6 968.793 475.815 28 -8 0 -6 853.052 379.357 27 -8 0 -6 413.145 444.940 9 -8 0 -6 37.7116 327.035 13 -8 0 -6 491.993 414.535 12 -8 0 -7 4717.44 763.828 33 -8 0 -7 4152.18 765.967 28 -8 0 -7 3783.64 750.247 15 -8 0 -7 3056.71 672.310 27 -8 0 -7 3236.26 679.569 13 -8 0 -7 4050.21 764.428 9 -8 0 -7 4047.74 747.301 12 -8 0 -8 3365.94 708.833 33 -8 0 -8 2029.58 559.546 15 -8 0 -8 3342.84 836.730 9 -8 0 -8 3137.25 730.616 28 -8 0 -8 3019.86 719.200 13 -8 0 -8 2878.70 714.175 12 -8 0 -9-60.9174 348.229 33 -8 0 -9 339.973 468.252 15 -8 0 -9 346.890 380.038 28 -8 0 -9-9.55642 467.932 13 -8 0 -9 1163.90 605.928 12 -8 0 -10 3326.49 698.217 33 -8 0 -10 3752.05 809.340 15 -8 0 -10 2505.68 667.094 28 -8 0 -10 2735.57 758.271 13 -8 0 -10 2556.95 717.046 12 -8 0 -11 3303.66 768.926 33 -8 0 -11 4422.19 927.163 15 -8 0 -11 2820.75 717.844 13 -8 0 -11 4069.24 852.920 12 -8 0 -11 2940.85 799.621 28 -8 0 -12 39.5921 370.069 33 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1667.78 30 -8 2 13 12786.3 1392.17 22 -8 2 13 12278.4 1278.64 11 -8 2 12 3858.85 832.280 30 -8 2 12 3392.35 750.675 22 -8 2 12 2823.84 794.490 17 -8 2 12 2184.57 514.013 11 -8 2 11 477.285 483.963 17 -8 2 11 442.724 536.490 30 -8 2 11 2566.65 839.929 34 -8 2 11 1390.91 584.493 22 -8 2 11 1165.35 529.812 11 -8 2 10 8531.14 1182.61 17 -8 2 10 8389.36 1113.42 30 -8 2 10 5938.26 1762.66 4 -8 2 10 8293.50 1173.95 8 -8 2 10 7602.44 1070.45 22 -8 2 10 9211.78 1339.44 34 -8 2 10 6242.69 839.660 11 -8 2 9 1856.58 527.617 17 -8 2 9 1683.57 740.683 34 -8 2 9 2155.66 664.586 30 -8 2 9 1738.87 1055.54 4 -8 2 9 3072.78 791.149 8 -8 2 9 1869.49 689.778 22 -8 2 9 1711.71 514.068 11 -8 2 8 4743.90 919.548 34 -8 2 8 4025.25 784.221 17 -8 2 8 5048.22 873.576 30 -8 2 8 4293.72 780.865 8 -8 2 8 5074.06 937.277 22 -8 2 7 14767.4 1384.82 17 -8 2 7 16193.5 1503.78 34 -8 2 7 16282.0 1584.52 32 -8 2 7 12857.7 1334.84 30 -8 2 7 14016.6 1314.74 8 -8 2 7 13135.2 1306.84 22 -8 2 6 2401.73 635.974 17 -8 2 6 1368.68 516.167 32 -8 2 6 1243.21 468.437 30 -8 2 6 1514.27 460.899 8 -8 2 6 2002.23 644.939 34 -8 2 6 1951.55 671.905 22 -8 2 5 11260.9 1209.81 17 -8 2 5 12536.1 1238.09 34 -8 2 5 11875.3 1285.76 32 -8 2 5 12182.3 1232.29 30 -8 2 5 11770.8 1142.58 8 -8 2 5 12351.9 1263.63 22 -8 2 4 3616.89 733.341 17 -8 2 4 4985.38 834.149 34 -8 2 4 4493.84 849.341 30 -8 2 4 6226.97 942.166 32 -8 2 4 4859.82 761.797 8 -8 2 4 4677.03 836.338 22 -8 2 3 5158.70 816.207 17 -8 2 3 4770.10 762.669 34 -8 2 3 5720.51 880.112 32 -8 2 3 4961.63 780.870 30 -8 2 3 5556.70 928.103 22 -8 2 2 5747.10 859.337 17 -8 2 2 6003.21 827.355 34 -8 2 2 6052.16 775.660 15 -8 2 2 6774.62 937.669 32 8 2 -2 4687.81 1310.01 1 -8 2 2 5469.72 824.645 22 -8 2 1 4457.13 784.241 17 -8 2 1 4500.74 678.070 28 -8 2 1 5068.92 710.018 15 -8 2 1 4302.17 818.366 22 -8 2 1 3412.87 536.782 13 8 2 -1 3514.89 1278.71 1 -8 2 1 4703.07 855.676 32 -8 2 0 1877.59 568.539 17 -8 2 0 955.830 368.518 28 -8 2 0 1214.44 413.010 15 -8 2 0 950.534 474.983 22 -8 2 0 1531.63 387.511 13 -8 2 -1 418.139 365.829 17 -8 2 -1 453.910 312.443 15 -8 2 -1 448.605 464.527 22 -8 2 -1 984.912 414.062 13 -8 2 -1 396.730 344.729 28 -8 2 -1 542.678 344.834 20 8 2 1 1103.90 743.732 1 -8 2 -2 6203.37 958.978 17 -8 2 -2 6048.19 822.197 28 -8 2 -2 6160.86 857.807 15 -8 2 -2 5665.43 776.596 13 -8 2 -2 6297.60 847.963 20 8 2 2 3461.10 1242.87 1 8 2 3 4838.51 1559.33 1 -8 2 -3 5603.49 950.450 17 -8 2 -3 4108.81 704.156 28 -8 2 -3 3566.82 740.243 15 -8 2 -3 3979.07 680.663 13 -8 2 -3 4102.31 754.078 20 -8 2 -4 1692.76 667.780 17 8 2 4 69.2148 743.914 1 -8 2 -4 1036.60 457.020 28 -8 2 -4 1765.49 572.406 15 -8 2 -4 1119.98 409.171 13 -8 2 -4 966.045 456.249 20 -8 2 -5 35.6988 376.738 17 -8 2 -5 960.940 486.019 28 -8 2 -5 336.096 481.365 15 -8 2 -5 29.6704 251.918 13 -8 2 -6 4447.01 789.512 28 -8 2 -6 5885.93 876.409 15 -8 2 -6 5756.46 941.905 9 -8 2 -6 4942.04 839.734 13 -8 2 -7 6052.81 1032.37 28 -8 2 -7 6900.26 1074.62 15 -8 2 -7 6612.16 1005.05 9 -8 2 -7 4961.51 835.557 13 -8 2 -8 706.131 495.771 28 -8 2 -8-1.31965 462.123 15 -8 2 -8-131.274 453.505 9 -8 2 -8 670.059 448.280 13 -8 2 -9 1810.33 650.323 28 -8 2 -9 3431.16 931.218 9 -8 2 -9 1622.38 526.656 13 -8 2 -9 2465.62 753.342 15 -8 2 -10 1115.06 618.406 15 -8 2 -10 538.242 378.996 33 -8 2 -10 761.159 627.705 28 -8 2 -10 753.562 549.146 9 -8 2 -10 832.168 475.623 13 -8 2 -11 565.557 495.859 15 -8 2 -11 1084.53 715.195 28 -8 2 -11 136.876 378.831 13 -8 2 -12 4827.46 1005.65 28 -8 2 -12 5202.09 1008.71 15 -8 2 -12 3585.87 787.099 13 -8 2 -13 2830.98 795.567 15 -8 2 -13 2642.57 858.855 28 -8 2 -13 1517.06 554.655 13 -8 2 -14 279.918 446.581 15 -8 2 -14 607.255 572.083 28 -8 2 -14 176.860 352.046 13 -8 2 -15-566.687 433.328 15 -8 2 -15-1.32126 422.876 28 -8 2 -15 778.028 430.048 13 -8 2 -16 729.263 457.344 15 -8 2 -16-54.5149 318.340 28 -8 4 17 1113.21 440.543 32 -8 4 17 664.531 440.272 8 -8 4 16 2387.12 646.097 32 -8 4 16 2272.12 614.420 8 -8 4 15 552.208 471.527 32 -8 4 15-474.706 355.535 8 -8 4 14 378.270 413.018 17 -8 4 14 732.918 620.151 32 -8 4 14 38.7654 469.776 8 -8 4 13 335.500 395.692 17 -8 4 13 1097.26 632.727 32 -8 4 13 442.430 532.305 8 -8 4 12-16.6699 323.445 17 -8 4 12 1479.43 680.351 32 -8 4 12 927.538 545.125 8 -8 4 11 604.306 489.314 17 -8 4 11 1460.62 790.776 32 -8 4 11 325.801 478.155 8 -8 4 10 12578.2 1384.13 17 -8 4 10 13879.2 1526.38 8 -8 4 10 14332.5 1731.57 32 -8 4 9 3557.83 828.002 17 -8 4 9 4839.17 1019.54 32 -8 4 9 4806.23 966.561 8 -8 4 8 3578.40 810.558 17 -8 4 8 4077.92 905.399 32 -8 4 7 5056.20 932.805 17 -8 4 7 3951.55 926.888 32 -8 4 6 390.138 391.876 17 -8 4 6 861.637 620.374 32 -8 4 5 2160.80 665.669 17 -8 4 5 1993.84 755.531 32 -8 4 5 1631.88 682.064 15 -8 4 4 6832.46 1026.44 17 -8 4 4 6855.19 1181.09 32 -8 4 4 7579.60 1181.95 15 -8 4 3 5530.07 986.328 17 -8 4 3 5730.09 1083.84 32 -8 4 3 6012.42 999.918 15 -8 4 2 5970.67 1012.11 17 -8 4 2 6035.82 1027.14 32 -8 4 2 6305.71 1178.11 15 -8 4 2 4971.86 954.640 20 -8 4 1 2083.27 707.809 17 -8 4 1 2676.71 769.525 15 -8 4 1 1324.35 703.521 32 -8 4 1 1188.08 581.186 20 -8 4 0 1196.14 543.043 17 -8 4 0 1159.94 631.996 15 -8 4 0 790.483 450.225 20 -8 4 -1-162.545 428.518 17 -8 4 -1 877.229 602.919 15 -8 4 -1 307.629 468.541 20 -8 4 -2 3076.09 872.931 17 -8 4 -2 1510.95 638.070 15 -8 4 -2 1514.60 603.445 20 -8 4 -3 5253.05 1013.84 17 -8 4 -3 5332.53 983.903 15 -8 4 -3 4500.85 928.104 20 -8 4 -4 1326.87 482.218 10 -8 4 -4 2604.49 813.059 15 -8 4 -4 1464.53 693.403 20 -8 4 -5 5351.94 850.412 10 -8 4 -5 6987.73 1092.30 15 -8 4 -6 1950.55 770.549 15 -8 4 -6 1717.13 588.910 9 -8 4 -6 1027.83 401.205 10 -8 4 -7 717.884 468.714 15 -8 4 -7 1000.82 411.829 10 -8 4 -8 3772.03 872.883 15 -8 4 -8 664.299 283.585 10 -8 4 -9 352.248 326.841 10 -8 4 -9 476.814 494.170 15 -8 4 -10 2258.25 580.894 15 -8 4 -10 2482.54 573.784 10 -8 4 -11 3723.02 632.206 10 -8 4 -11 4598.62 780.942 15 -8 4 -12 1074.92 414.885 15 -9 -5 11 920.860 350.228 26 9 -5 -11 1535.03 448.518 16 -9 -5 11 1555.82 497.588 22 9 -5 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-13 -3 2 1180.17 487.624 7 -13 -3 2 730.789 442.898 18 -13 -3 1 1721.30 533.530 5 -13 -3 1 1300.40 620.967 14 -13 -3 1 2329.15 611.600 7 -13 -3 1 1587.76 551.730 18 -13 -3 0 73.3261 291.555 5 -13 -3 0 472.544 374.577 14 -13 -3 0 64.2892 320.346 7 -13 -3 0 350.150 385.811 18 -13 -3 -1 2000.69 526.715 5 -13 -3 -1 2482.48 580.221 7 -13 -3 -1 3187.05 718.115 18 -13 -3 -2 871.012 355.842 5 -13 -3 -2 866.348 336.523 7 -13 -3 -2 474.843 362.739 18 -13 -3 -3 1431.97 469.984 5 -13 -3 -3 712.642 364.199 7 -13 -3 -3 1481.59 521.750 18 -13 -3 -4 726.394 331.982 5 -13 -3 -4 453.950 316.403 7 -13 -3 -4 263.971 354.377 18 -13 -3 -5 971.976 435.297 18 -13 -1 17-493.355 466.893 30 -13 -1 17 340.458 401.997 22 -13 -1 17 565.698 372.397 11 -13 -1 16 383.074 425.832 34 -13 -1 16 60.4840 458.137 30 -13 -1 16 736.578 542.656 22 -13 -1 16-96.2077 318.017 11 -13 -1 15 231.223 418.912 34 -13 -1 15 1104.74 589.834 30 -13 -1 15-267.512 433.149 22 -13 -1 15 337.815 414.619 11 -13 -1 14 1466.03 613.897 34 -13 -1 14 2815.23 761.129 30 -13 -1 14 2900.91 743.194 22 -13 -1 14 2732.19 734.001 11 -13 -1 13 747.679 520.316 34 -13 -1 13 192.433 488.546 30 -13 -1 13 570.095 550.953 22 -13 -1 13 753.862 414.611 11 -13 -1 12 1152.95 588.546 34 -13 -1 12 1776.88 773.672 30 -13 -1 12 2515.32 768.398 22 -13 -1 12 2770.03 804.038 19 -13 -1 12 1734.05 688.423 11 -13 -1 11 877.541 645.544 30 -13 -1 11 1927.06 723.906 22 -13 -1 11 1555.13 609.608 19 -13 -1 11 754.289 417.091 11 -13 -1 10 638.534 537.627 30 -13 -1 10 916.643 513.470 7 -13 -1 10 528.575 601.676 22 -13 -1 10 439.877 492.622 19 -13 -1 10-890.905 535.773 11 -13 -1 9 703.684 568.991 30 -13 -1 9 1916.04 631.758 7 -13 -1 9 628.401 641.808 22 -13 -1 9 881.872 490.535 19 -13 -1 8 227.479 449.776 30 -13 -1 8 1173.48 637.242 14 -13 -1 8 977.139 552.696 7 -13 -1 8 709.110 543.246 22 -13 -1 8 1184.18 635.750 19 -13 -1 7 5991.11 1144.92 14 -13 -1 7 5795.53 1054.39 22 -13 -1 7 5548.03 947.261 7 -13 -1 7 4217.91 817.195 19 -13 -1 6 6431.50 1178.74 14 -13 -1 6 5530.66 1081.32 22 -13 -1 6 6984.05 1028.60 7 -13 -1 6 5132.15 955.605 19 -13 -1 6 5261.07 1095.88 18 -13 -1 5 5040.23 1033.74 14 -13 -1 5 3381.36 807.085 22 -13 -1 5 3859.27 777.516 7 -13 -1 5 5490.95 1049.96 18 -13 -1 4 4804.00 1016.09 14 -13 -1 4 3314.13 752.646 7 -13 -1 4 4356.42 889.373 18 -13 -1 3 4402.53 926.774 14 -13 -1 3 2735.32 704.780 7 -13 -1 3 3189.06 786.591 18 -13 -1 2 614.938 464.579 33 -13 -1 2 1486.67 771.876 14 -13 -1 2 778.178 423.652 7 -13 -1 2 326.166 493.213 18 -13 -1 1 2202.86 710.265 33 -13 -1 1 1234.17 559.509 18 -13 -1 0 2561.16 733.305 33 -13 -1 0 2046.71 677.383 18 -13 -1 -1 3340.31 801.436 33 -13 -1 -1 2824.14 675.086 13 -13 -1 -1 2581.16 677.079 12 -13 -1 -1 3058.02 743.311 18 -13 -1 -2 1829.82 671.074 33 -13 -1 -2 269.491 331.037 13 -13 -1 -2 1304.14 554.664 12 -13 -1 -2 735.623 456.869 18 -13 -1 -3 3969.73 891.890 33 -13 -1 -3 3534.65 712.114 13 -13 -1 -3 3126.45 728.413 12 -13 -1 -3 2871.09 755.903 18 -13 -1 -4 4423.77 858.987 33 -13 -1 -4 3956.99 742.299 13 -13 -1 -4 4725.18 899.824 12 -13 -1 -4 3446.35 775.547 18 -13 -1 -5 776.151 684.052 33 -13 -1 -5 360.016 376.831 13 -13 -1 -5 230.680 489.566 12 -13 -1 -5 582.761 383.226 18 -13 -1 -6 416.327 360.576 13 -13 -1 -6 1269.72 514.111 12 -13 -1 -7 504.635 304.002 13 -13 -1 -7 1433.09 549.433 12 -13 -1 -8-240.224 244.649 13 -13 -1 -8 431.765 335.704 12 -13 -1 -9 989.515 398.709 13 -13 -1 -9 1102.67 416.158 12 -13 1 17 341.761 318.731 17 -13 1 17 134.612 316.244 22 -13 1 16 612.742 407.781 17 -13 1 16 494.508 505.923 30 -13 1 16 531.976 483.883 22 -13 1 15 111.795 438.094 17 -13 1 15-60.1526 449.197 30 -13 1 15-37.6361 471.029 22 -13 1 14 1783.60 584.988 17 -13 1 14 2027.70 899.554 34 -13 1 14 3104.81 851.630 30 -13 1 14 3044.26 851.884 22 -13 1 13 127.480 382.970 17 -13 1 13 1178.81 713.919 34 -13 1 13 1012.05 738.302 30 -13 1 13 866.053 560.094 22 -13 1 12 2050.38 714.958 17 -13 1 12 2054.32 939.665 34 -13 1 12 2289.51 807.298 30 -13 1 12 1353.75 586.818 22 -13 1 11 623.075 424.102 17 -13 1 11 1437.24 747.573 34 -13 1 11 1989.27 781.778 30 -13 1 11 312.290 478.847 22 -13 1 10 571.262 459.435 17 -13 1 10-134.287 681.852 34 -13 1 10 134.436 490.857 30 -13 1 10-147.831 537.018 22 -13 1 9 1464.81 657.832 17 -13 1 9 317.395 605.523 34 -13 1 9 416.276 502.880 30 -13 1 9 1866.29 801.002 22 -13 1 8 566.543 369.123 17 -13 1 8 543.291 689.237 34 -13 1 8 537.430 442.874 30 -13 1 8 1133.48 592.017 22 -13 1 8 2493.61 787.607 19 -13 1 7 4498.56 882.794 17 -13 1 7 4893.70 1048.95 34 -13 1 7 4502.10 856.547 30 -13 1 7 5622.53 1098.16 22 -13 1 7 4977.73 900.488 19 -13 1 6 4947.25 928.819 17 -13 1 6 4666.50 989.938 34 -13 1 6 2957.71 703.307 30 -13 1 6 3561.90 812.899 22 -13 1 6 5004.76 906.841 19 -13 1 5 4651.90 881.842 17 -13 1 5 3461.20 752.318 34 -13 1 5 4140.08 908.955 22 -13 1 5 3823.96 749.466 19 -13 1 4 4228.81 889.133 17 -13 1 4 2957.12 826.877 34 -13 1 4 2629.66 761.459 22 -13 1 4 2746.30 660.429 19 -13 1 3 2601.79 766.375 34 -13 1 2 898.937 497.149 33 -13 1 2 861.683 437.876 9 -13 1 1 1109.53 550.659 33 -13 1 1 1223.14 446.962 9 -13 1 0 992.442 467.111 33 -13 1 0 1909.15 600.357 9 -13 1 -1 3856.99 820.582 33 -13 1 -1 2440.95 717.381 9 -13 1 -2 193.552 436.482 33 -13 1 -2 258.648 391.077 9 -13 1 -2 826.995 454.396 13 -13 1 -3 3126.36 784.809 33 -13 1 -3 2788.08 797.308 9 -13 1 -3 2203.27 576.782 13 -13 1 -4 4465.56 874.781 33 -13 1 -4 5668.65 934.742 9 -13 1 -4 3914.07 742.160 13 -13 1 -5 72.6585 398.874 33 -13 1 -5 542.331 486.885 9 -13 1 -5 146.550 302.066 13 -13 1 -6 46.9166 441.905 33 -13 1 -6 717.604 424.864 13 -13 1 -7 2044.30 588.993 33 -13 1 -7 270.306 373.218 13 -13 1 -8 479.839 364.564 33 -13 1 -8 49.4753 266.045 13 -13 1 -9 1427.09 467.022 33 -13 1 -9 549.758 311.429 13 -13 3 13 291.493 319.538 17 -13 3 12 380.401 405.484 17 -13 3 11 2179.81 645.038 17 -13 3 10 573.680 441.980 17 -13 3 9 131.216 374.039 17 -13 3 8 3201.10 767.250 17 -13 3 7 5752.27 968.695 17 -13 3 6 1805.14 688.515 17 -13 3 5 7995.45 1122.99 17 -13 3 4 5114.42 932.634 17 -13 3 3 1067.43 512.802 17 -13 3 2 782.140 543.295 17 -13 3 2 536.886 336.336 33 -13 3 1 2574.78 696.975 17 -13 3 1 1376.96 431.048 33 -13 3 0 432.088 361.356 17 -13 3 0-265.676 382.203 33 -13 3 0 1036.16 485.022 9 -13 3 -1 3003.16 674.073 17 -13 3 -1 2787.36 612.757 33 -13 3 -1 2532.89 635.866 9 -13 3 -2 646.540 338.759 33 -13 3 -2 777.450 402.965 9 -13 3 -3 1682.35 497.779 33 -13 3 -3 2083.00 577.599 9 -13 3 -4 137.847 308.812 33 -13 3 -4 254.440 376.380 9 -13 3 -5 1105.42 419.223 33 -13 3 -5 1180.19 469.479 9 -14 -2 14 45.6670 346.355 30 -14 -2 14-176.388 326.178 22 -14 -2 13 933.434 446.650 34 -14 -2 13 767.793 445.080 30 -14 -2 13 1011.12 458.243 22 -14 -2 12-11.8957 354.025 30 -14 -2 12 269.517 412.296 22 -14 -2 11 974.312 523.677 30 -14 -2 11 1841.23 621.120 22 -14 -2 11 1607.68 591.609 19 -14 -2 10-163.597 366.592 30 -14 -2 10 321.026 432.254 22 -14 -2 10-19.2261 324.655 19 -14 -2 9 1051.07 495.117 14 -14 -2 9 1084.51 574.019 22 -14 -2 9 756.485 434.232 19 -14 -2 8 3740.43 778.285 14 -14 -2 8 5271.86 849.735 7 -14 -2 8 4275.61 857.583 22 -14 -2 8 4654.14 845.443 19 -14 -2 7 1248.78 686.716 14 -14 -2 7 894.768 426.570 7 -14 -2 7 859.281 511.529 22 -14 -2 7 772.425 414.794 19 -14 -2 6 1152.39 624.234 14 -14 -2 6 2249.33 630.909 7 -14 -2 6 1696.31 588.327 19 -14 -2 6 995.252 591.054 18 -14 -2 5 3357.43 889.945 14 -14 -2 5 3223.91 723.966 7 -14 -2 5 2377.24 617.234 19 -14 -2 5 1962.32 632.451 18 -14 -2 4 4567.02 914.340 14 -14 -2 4 4650.24 841.075 7 -14 -2 4 3971.77 793.853 18 -14 -2 3 6780.80 1070.11 14 -14 -2 3 5348.41 873.862 7 -14 -2 3 4630.02 885.399 18 -14 -2 2 2105.91 637.467 14 -14 -2 2 1620.41 564.876 7 -14 -2 2 1443.20 604.441 18 -14 -2 1 1402.24 470.760 5 -14 -2 1 1575.19 598.124 7 -14 -2 1 2364.24 693.868 18 -14 -2 0 777.446 417.671 7 -14 -2 0 892.060 387.564 18 -14 -2 -1 672.281 350.148 7 -14 -2 -1 1658.75 599.784 18 -14 -2 -2 499.804 296.023 7 -14 -2 -2 1001.31 501.337 18 -14 -2 -3 733.755 342.650 7 -14 -2 -3 1612.91 495.953 18 -14 -2 -4 211.974 283.402 7 -14 -2 -4 385.531 352.951 18 -14 -2 -5 104.383 219.208 7 -14 0 16 899.638 451.829 34 -14 0 16-254.928 433.990 30 -14 0 16 347.809 431.594 22 -14 0 15 670.842 503.500 34 -14 0 15-494.731 465.433 30 -14 0 15 900.845 507.133 22 -14 0 14 1617.75 740.091 34 -14 0 14 656.889 560.837 30 -14 0 14 1131.05 530.102 22 -14 0 13 2712.93 792.354 34 -14 0 13 553.016 453.696 30 -14 0 13 2123.47 820.901 22 -14 0 12 373.542 539.487 34 -14 0 12-263.493 410.359 30 -14 0 12 114.776 433.054 22 -14 0 11 245.098 508.203 34 -14 0 11-278.980 488.273 30 -14 0 11 932.880 792.691 22 -14 0 10 3020.62 817.345 34 -14 0 10 2654.72 669.710 30 -14 0 10 2839.80 776.142 22 -14 0 10 4077.88 918.733 19 -14 0 9 412.447 515.020 34 -14 0 9 13.3694 408.923 30 -14 0 9 1.76995 273.315 7 -14 0 9 822.303 629.712 22 -14 0 9 1137.74 664.243 19 -14 0 8-1.50700 626.558 34 -14 0 8 773.489 474.662 30 -14 0 8 1446.36 708.073 22 -14 0 8 366.457 325.765 7 -14 0 8 479.391 445.605 19 -14 0 7 4434.06 971.162 34 -14 0 7 4477.89 973.815 22 -14 0 7 4647.23 773.164 7 -14 0 7 4686.03 954.716 19 -14 0 6 7031.33 940.149 7 -14 0 6 6565.76 1095.32 22 -14 0 6 5945.57 950.770 19 -14 0 5 339.569 459.224 22 -14 0 5 988.457 431.436 7 -14 0 5 1015.34 521.060 19 -14 0 4 645.749 367.615 7 -14 0 4 509.023 451.193 19 -14 0 3 3361.14 679.139 7 -14 0 3 3817.19 731.688 19 -14 0 2 616.448 330.241 7 -14 0 2 424.225 316.654 19 -14 0 1 545.010 437.823 33 -14 0 1 176.833 362.959 19 -14 0 1 1025.36 495.684 18 -14 0 0 363.719 413.577 33 -14 0 0 1074.47 501.901 18 -14 0 -1 1385.29 520.216 33 -14 0 -1 1845.02 610.775 18 -14 0 -2 559.044 470.288 33 -14 0 -3 2622.77 681.764 33 -14 0 -3 3237.82 648.939 13 -14 0 -4 2415.20 596.830 33 -14 0 -4 1190.18 389.226 13 -14 0 -5-89.2858 368.302 33 -14 0 -5-167.381 352.798 13 -14 0 -6 939.364 440.777 33 -14 0 -6 226.574 266.074 13 -14 0 -7 4146.13 686.515 33 -14 0 -7 2757.31 581.184 13 -14 2 14-460.054 307.883 17 -14 2 14 934.829 441.241 22 -14 2 13 1243.64 459.393 17 -14 2 13 1665.22 560.637 22 -14 2 12 269.911 371.609 17 -14 2 12 886.346 496.215 22 -14 2 11 1217.51 510.861 17 -14 2 11 2356.86 674.584 22 -14 2 10 548.528 517.670 17 -14 2 10-328.267 445.643 22 -14 2 9 1096.01 551.700 17 -14 2 9 780.701 447.831 22 -14 2 8 4902.08 879.519 17 -14 2 8 5339.51 922.626 22 -14 2 7 934.617 518.251 17 -14 2 7 1287.34 585.972 22 -14 2 6 1961.19 654.362 17 -14 2 6 1463.65 558.474 22 -14 2 5 2138.44 659.533 17 -14 2 5 2054.20 625.644 22 -14 2 4 4345.04 883.153 17 -14 2 3 5437.92 908.327 17 -14 2 3 4890.52 843.969 9 -14 2 2 1884.26 626.685 17 -14 2 2 1280.97 477.828 33 -14 2 2 1105.60 491.080 9 -14 2 1 2176.28 607.330 17 -14 2 1 985.140 470.847 33 -14 2 1 1437.16 525.981 9 -14 2 0 1855.91 575.693 17 -14 2 0 1296.88 449.275 33 -14 2 0 1701.12 590.120 9 -14 2 -1 766.605 403.630 33 -14 2 -1 1169.69 519.641 9 -14 2 -2 845.636 382.277 33 -14 2 -2 1016.53 473.840 9 -14 2 -3 585.421 420.675 33 -14 2 -3-48.2043 373.862 9 -14 2 -4 881.888 437.531 33 -14 2 -4 534.734 413.625 9 -14 2 -5 536.516 386.162 33 -14 2 -5 842.942 404.908 9 -15 -1 13 132.769 345.108 34 -15 -1 13 649.861 447.956 22 -15 -1 12 1019.89 576.091 34 -15 -1 12 1211.17 467.704 30 -15 -1 12 763.244 492.629 22 -15 -1 11 954.744 586.555 34 -15 -1 11 347.192 416.206 30 -15 -1 11 1403.68 542.837 22 -15 -1 10 942.746 515.206 34 -15 -1 10 1115.05 485.608 22 -15 -1 10 1885.15 587.838 19 -15 -1 9 766.147 460.401 34 -15 -1 9 1484.01 572.761 22 -15 -1 9 1548.36 589.665 19 -15 -1 8 591.465 369.223 7 -15 -1 8 22.3972 359.350 22 -15 -1 8 1268.23 524.209 19 -15 -1 7 312.925 351.865 7 -15 -1 7-200.345 360.461 19 -15 -1 6 673.564 364.622 7 -15 -1 6 1061.58 469.823 19 -15 -1 5 1108.58 406.870 7 -15 -1 5 772.884 426.494 19 -15 -1 4 3635.39 694.988 7 -15 -1 4 3123.72 639.780 19 -15 -1 3 3709.91 683.881 7 -15 -1 3 3616.86 702.271 19 -15 -1 2 1144.14 438.224 7 -15 -1 2 808.286 328.429 19 -15 -1 2 1692.40 561.303 18 -15 -1 1 658.928 327.515 7 -15 -1 1 1354.08 472.492 19 -15 -1 1 781.694 478.114 18 -15 -1 0 790.319 435.195 7 -15 -1 0 464.571 354.362 18 -15 -1 -1 2003.73 513.721 7 -15 -1 -1 2033.31 591.775 18 -15 -1 -2 1389.71 422.645 7 -15 -1 -2 1706.18 469.992 18 -15 -1 -3-110.751 255.561 7 -15 -1 -4 2096.22 522.612 7 -15 1 13 571.531 367.829 22 -15 1 12 1896.19 667.639 34 -15 1 12 1344.66 512.555 22 -15 1 11 2671.77 768.807 34 -15 1 11 891.010 439.186 22 -15 1 10 1743.87 697.142 34 -15 1 10 2317.75 655.857 22 -15 1 9 2462.47 732.903 34 -15 1 9 1331.60 578.691 22 -15 1 8 1045.29 635.326 34 -15 1 8 958.773 525.520 22 -15 1 7 593.377 545.909 34 -15 1 7 387.975 490.935 22 -15 1 6 943.045 593.041 34 -15 1 6 282.304 440.525 22 -15 1 1 678.346 389.624 33 -15 1 0 191.931 354.089 33 -15 1 -1 2621.03 552.922 33 -15 1 -1 1860.80 509.889 9 -15 1 -2 1566.84 467.744 33 -15 1 -3 297.035 330.538 33 -16 0 10 684.091 516.843 34 -16 0 9 369.342 736.425 34 -16 0 8 904.569 461.855 34 -16 0 7 228.550 347.005 34 -16 0 6 752.380 430.966 34 -16 0 6 1513.32 478.000 19 -16 0 5 110.416 393.972 34 -16 0 5 496.338 353.635 19 -16 0 4 31.7020 272.384 7 -16 0 4 173.481 275.349 19 -16 0 3 689.594 301.955 7 -16 0 2 184.529 228.099 7 0 0 0 0.00 0.00 0 TITL 1907CMB-01171-17 in C2 REM C2 (#5 in standard setting) CELL 1.54184 14.380308 5.930385 20.817370 90.0000 102.7022 90.0000 ZERR 4.00 0.000545 0.000243 0.001366 0.0000 0.0048 0.0000 LATT -7 SYMM -x, y,-z SFAC C H O UNIT 80.00 144.00 20.00 TREF HKLF 4 END ; loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group C1 C 0.6744(4) 0.7643(10) 0.2846(3) 0.0354(13) Uani 1 1 d . . . . . C2 C 0.7632(3) 0.7492(9) 0.2583(3) 0.0290(12) Uani 1 1 d . . . . . C3 C 0.7730(3) 0.6295(9) 0.1970(3) 0.0301(12) Uani 1 1 d . . . . . C4 C 0.6934(4) 0.6976(11) 0.1379(3) 0.0401(14) Uani 1 1 d . . . . . H4A H 0.631665 0.639056 0.144392 0.048 Uiso 1 1 calc R U . . . H4B H 0.68904 0.864077 0.135468 0.048 Uiso 1 1 calc R U . . . C5 C 0.7114(4) 0.6072(12) 0.0736(3) 0.0470(16) Uani 1 1 d . . . . . H5A H 0.660334 0.660889 0.036791 0.056 Uiso 1 1 calc R U . . . H5B H 0.708795 0.440442 0.074188 0.056 Uiso 1 1 calc R U . . . C6 C 0.8073(4) 0.6811(11) 0.0620(3) 0.0456(15) Uani 1 1 d . . . . . H6A H 0.806076 0.846616 0.055531 0.055 Uiso 1 1 calc R U . . . H6B H 0.816611 0.610865 0.020699 0.055 Uiso 1 1 calc R U . . . C7 C 0.8927(4) 0.6212(10) 0.1177(3) 0.0371(13) Uani 1 1 d . . . . . C8 C 0.8708(3) 0.7069(9) 0.1834(3) 0.0309(12) Uani 1 1 d . . . . . H8 H 0.863455 0.873579 0.17703 0.037 Uiso 1 1 calc R U . . . C9 C 0.9512(3) 0.6827(10) 0.2447(3) 0.0374(13) Uani 1 1 d . . . . . H9A H 1.012943 0.717239 0.233297 0.045 Uiso 1 1 calc R U . . . H9B H 0.953539 0.525247 0.260797 0.045 Uiso 1 1 calc R U . . . C10 C 0.9354(3) 0.8436(10) 0.2993(3) 0.0362(14) Uani 1 1 d . . . . . H10A H 0.97535 0.795708 0.342155 0.043 Uiso 1 1 calc R U . . . H10B H 0.954517 0.998409 0.289955 0.043 Uiso 1 1 calc R U . . . C11 C 0.8337(3) 0.8413(9) 0.3027(3) 0.0280(12) Uani 1 1 d . . . . . C12 C 0.7955(3) 0.9254(9) 0.3593(3) 0.0301(12) Uani 1 1 d . . . . . C13 C 0.9152(4) 0.3686(11) 0.1175(3) 0.0471(15) Uani 1 1 d . . . . . H13A H 0.860792 0.28221 0.125485 0.071 Uiso 1 1 calc R U . . . H13B H 0.92768 0.326272 0.074649 0.071 Uiso 1 1 calc R U . . . H13C H 0.971634 0.335759 0.152213 0.071 Uiso 1 1 calc R U . . . C14 C 0.9804(4) 0.7444(13) 0.1049(3) 0.0522(17) Uani 1 1 d . . . . . H14A H 0.969337 0.907469 0.104618 0.078 Uiso 1 1 calc R U . . . H14B H 1.03605 0.70705 0.139827 0.078 Uiso 1 1 calc R U . . . H14C H 0.992096 0.697562 0.062263 0.078 Uiso 1 1 calc R U . . . C15 C 0.7646(4) 0.3753(10) 0.2112(3) 0.0416(14) Uani 1 1 d . . . . . H15A H 0.77057 0.287795 0.172402 0.062 Uiso 1 1 calc R U . . . H15B H 0.815499 0.331864 0.248764 0.062 Uiso 1 1 calc R U . . . H15C H 0.702532 0.345023 0.22158 0.062 Uiso 1 1 calc R U . . . C16 C 0.6373(4) 0.8881(10) 0.3903(3) 0.0403(14) Uani 1 1 d . . . . . H16A H 0.573691 0.945217 0.368093 0.048 Uiso 1 1 calc R U . . . H16B H 0.664438 0.993471 0.426472 0.048 Uiso 1 1 calc R U . . . C17 C 0.6269(3) 0.6592(10) 0.4185(3) 0.0355(13) Uani 1 1 d . . . . . O1 O 0.5953(2) 0.6900(8) 0.2614(2) 0.0478(11) Uani 1 1 d . . . . . O2 O 0.8376(2) 1.0130(7) 0.4099(2) 0.0394(9) Uani 1 1 d . . . . . O3 O 0.6800(3) 0.5021(8) 0.4171(2) 0.0558(12) Uani 1 1 d . . . . . O4 O 0.5515(2) 0.6489(7) 0.4447(2) 0.0425(10) Uani 1 1 d . . . . . H4 H 0.549267 0.521773 0.462078 0.064 Uiso 1 1 calc R U . . . O5 O 0.5 0.2817(9) 0.5 0.0418(14) Uani 1 2 d S T P . . H5C H 0.463194 0.201058 0.475458 0.05 Uiso 1 1 d R U . . . O6 O 0.3818(3) -0.0110(8) 0.4210(2) 0.0558(13) Uani 1 1 d . . . . . H6C H 0.417295 -0.116586 0.428964 0.067 Uiso 1 1 d R U . . . H6D H 0.327596 0.003262 0.424469 0.067 Uiso 1 1 d R U . . . N1 N 0.6983(3) 0.8822(9) 0.3438(2) 0.0377(11) Uani 1 1 d . . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1 0.033(3) 0.029(3) 0.044(3) 0.004(3) 0.008(2) -0.003(2) C2 0.029(2) 0.020(3) 0.036(3) 0.002(2) 0.004(2) -0.002(2) C3 0.030(2) 0.027(3) 0.032(3) -0.002(2) 0.006(2) -0.004(2) C4 0.033(3) 0.041(4) 0.044(3) 0.003(3) 0.002(2) 0.002(2) C5 0.047(3) 0.051(4) 0.038(4) -0.002(3) -0.001(3) 0.005(3) C6 0.063(4) 0.037(4) 0.037(3) -0.002(3) 0.012(3) 0.006(3) C7 0.039(3) 0.036(3) 0.038(3) -0.002(3) 0.011(2) 0.003(3) C8 0.031(2) 0.026(3) 0.037(3) -0.003(2) 0.010(2) -0.002(2) C9 0.029(2) 0.038(3) 0.046(3) -0.004(3) 0.010(2) 0.001(2) C10 0.026(3) 0.038(4) 0.044(3) -0.001(3) 0.007(2) -0.001(2) C11 0.033(3) 0.019(3) 0.032(3) 0.002(2) 0.008(2) -0.002(2) C12 0.031(3) 0.021(3) 0.038(3) 0.003(2) 0.008(2) -0.003(2) C13 0.058(3) 0.031(3) 0.055(4) -0.004(3) 0.018(3) 0.004(3) C14 0.056(3) 0.051(4) 0.057(4) -0.006(3) 0.028(3) -0.006(3) C15 0.045(3) 0.020(3) 0.059(4) -0.002(3) 0.012(3) -0.009(2) C16 0.036(3) 0.033(3) 0.057(4) -0.004(3) 0.022(3) -0.001(3) C17 0.028(3) 0.035(3) 0.045(3) 0.000(3) 0.012(2) 0.002(3) O1 0.0288(19) 0.054(3) 0.060(3) -0.004(2) 0.0075(17) -0.0108(19) O2 0.040(2) 0.033(2) 0.044(2) -0.004(2) 0.0065(18) 0.0006(18) O3 0.047(2) 0.043(3) 0.084(3) 0.005(3) 0.029(2) 0.011(2) O4 0.0398(19) 0.038(2) 0.055(3) 0.003(2) 0.0228(17) 0.0026(19) O5 0.038(3) 0.030(3) 0.054(4) 0 0.001(2) 0 O6 0.039(2) 0.031(2) 0.089(4) 0.003(2) -0.001(2) -0.0014(18) N1 0.033(2) 0.042(3) 0.040(3) -0.001(2) 0.012(2) -0.009(2) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0311 0.018 '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 O1 C1 N1 124.1(5) . . ? O1 C1 C2 129.1(5) . . ? N1 C1 C2 106.8(4) . . ? C11 C2 C3 126.1(4) . . ? C11 C2 C1 107.5(5) . . ? C3 C2 C1 126.1(4) . . ? C2 C3 C4 111.4(4) . . ? C2 C3 C15 105.9(5) . . ? C4 C3 C15 109.5(4) . . ? C2 C3 C8 105.8(4) . . ? C4 C3 C8 108.6(4) . . ? C15 C3 C8 115.6(4) . . ? C5 C4 C3 111.9(4) . . ? C4 C5 C6 112.1(5) . . ? C5 C6 C7 114.7(5) . . ? C14 C7 C13 106.5(5) . . ? C14 C7 C6 108.2(5) . . ? C13 C7 C6 111.1(5) . . ? C14 C7 C8 109.3(5) . . ? C13 C7 C8 113.9(5) . . ? C6 C7 C8 107.8(4) . . ? C9 C8 C7 116.2(4) . . ? C9 C8 C3 111.5(4) . . ? C7 C8 C3 115.3(4) . . ? C8 C9 C10 110.6(4) . . ? C11 C10 C9 109.7(4) . . ? C2 C11 C10 125.4(5) . . ? C2 C11 C12 109.3(4) . . ? C10 C11 C12 125.1(5) . . ? O2 C12 N1 124.5(5) . . ? O2 C12 C11 129.1(5) . . ? N1 C12 C11 106.4(5) . . ? N1 C16 C17 111.6(5) . . ? O3 C17 O4 123.7(5) . . ? O3 C17 C16 124.8(5) . . ? O4 C17 C16 111.5(5) . . ? C12 N1 C1 109.8(4) . . ? C12 N1 C16 124.7(5) . . ? C1 N1 C16 122.6(4) . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag C1 O1 1.217(6) . ? C1 N1 1.392(8) . ? C1 C2 1.499(8) . ? C2 C11 1.331(7) . ? C2 C3 1.493(8) . ? C3 C4 1.539(8) . ? C3 C15 1.546(8) . ? C3 C8 1.563(7) . ? C4 C5 1.515(9) . ? C5 C6 1.516(9) . ? C6 C7 1.535(8) . ? C7 C14 1.530(8) . ? C7 C13 1.533(8) . ? C7 C8 1.556(8) . ? C8 C9 1.529(8) . ? C9 C10 1.539(8) . ? C10 C11 1.481(7) . ? C11 C12 1.490(8) . ? C12 O2 1.211(7) . ? C12 N1 1.387(7) . ? C16 N1 1.443(7) . ? C16 C17 1.499(9) . ? C17 O3 1.209(7) . ? C17 O4 1.318(6) . ?