#------------------------------------------------------------------------------ #$Date: 2018-01-17 02:18:35 +0200 (Wed, 17 Jan 2018) $ #$Revision: 205276 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/03/33/4033362.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_4033362 loop_ _publ_author_name 'Druzhenko, Tetiana' 'Skalenko, Yevhen' 'Samoilenko, Maryna' 'Denisenko, Aleksandr' 'Zozulya, Sergey' 'Borysko, Petro O.' 'Sokolenko, Maria I.' 'Tarasov, Alexandr' 'Mykhailiuk, Pavel K.' _publ_section_title ; Photochemical synthesis of 2-azabicyclo[3.2.0]heptanes: advanced building blocks for drug discovery. Synthesis of 2,3-ethanoproline. ; _journal_name_full 'The Journal of organic chemistry' _journal_paper_doi 10.1021/acs.joc.7b02910 _journal_year 2018 _chemical_formula_sum 'C10 H14 Cl N S' _chemical_formula_weight 215.73 _space_group_crystal_system orthorhombic _space_group_IT_number 19 _space_group_name_Hall 'P 2ac 2ab' _space_group_name_H-M_alt 'P 21 21 21' _symmetry_space_group_name_Hall 'P 2ac 2ab' _symmetry_space_group_name_H-M 'P 21 21 21' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2014/7 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.3724(15) _cell_length_b 7.3724(15) _cell_length_c 20.222(7) _cell_measurement_reflns_used 608 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 19.9 _cell_measurement_theta_min 3.9 _cell_volume 1099.1(5) _computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)' _diffrn_ambient_temperature 293(2) _diffrn_detector_area_resol_mean 16.1827 _diffrn_measured_fraction_theta_full 0.981 _diffrn_measured_fraction_theta_max 0.986 _diffrn_measurement_device_type 'Xcalibur, Sapphire3' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.1120 _diffrn_reflns_av_unetI/netI 0.1340 _diffrn_reflns_Laue_measured_fraction_full 0.981 _diffrn_reflns_Laue_measured_fraction_max 0.986 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_limit_l_min -28 _diffrn_reflns_number 6368 _diffrn_reflns_point_group_measured_fraction_full 0.941 _diffrn_reflns_point_group_measured_fraction_max 0.914 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 29.987 _diffrn_reflns_theta_min 3.420 _diffrn_source 'Enhance (Mo) X-ray Source' _exptl_absorpt_coefficient_mu 0.493 _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_correction_T_min 0.113 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlis RED, Agilent Technologies, Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET) (compiled Dec 3 2012,18:21:49) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour colorless _exptl_crystal_density_diffrn 1.304 _exptl_crystal_description plate _exptl_crystal_F_000 456 _exptl_crystal_size_max 0.200 _exptl_crystal_size_mid 0.180 _exptl_crystal_size_min 0.010 _refine_diff_density_max 0.167 _refine_diff_density_min -0.164 _refine_diff_density_rms 0.044 _refine_ls_abs_structure_details ; Classical Flack method preferred over Parsons because s.u. lower. ; _refine_ls_abs_structure_Flack 0.5(2) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 0.821 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 154 _refine_ls_number_reflns 2937 _refine_ls_number_restraints 10 _refine_ls_restrained_S_all 0.822 _refine_ls_R_factor_all 0.1598 _refine_ls_R_factor_gt 0.0638 _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^)+(0.0299P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1145 _refine_ls_wR_factor_ref 0.1465 _reflns_Friedel_coverage 0.593 _reflns_Friedel_fraction_full 0.882 _reflns_Friedel_fraction_max 0.814 _reflns_number_gt 1112 _reflns_number_total 2937 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file jo7b02910_si_003.cif _cod_data_source_block tolm284 _cod_database_code 4033362 _shelx_shelxl_version_number 2014/7 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_min 0.908 _shelx_estimated_absorpt_t_max 0.995 _shelx_hkl_file ; 0 0 3 30.3908 69.9302 2 0 0 -4 366936. 9902.22 2 0 0 4 399238. 10404.0 2 0 0 5-211.119 280.776 2 0 0 -5 4007.64 975.173 2 0 0 -6 11847.2 1176.12 2 0 0 6 13874.5 1526.89 2 0 0 -7-151.545 252.242 2 0 0 -8 10342.9 1258.67 2 0 0 -9 441.065 461.048 2 0 0 10 132265. 4261.96 5 0 0 -10 120258. 5628.79 2 0 0 -11 248.566 482.738 2 0 0 11-148.920 137.825 5 0 0 -12 266958. 9202.16 2 0 0 12 223414. 6594.03 5 0 0 -13-509.329 705.230 2 0 0 -14 6269.91 1410.16 2 0 0 -15 329.790 373.916 2 0 0 -16 1931.95 803.107 2 0 0 -17-313.553 195.618 2 0 0 -18 40286.6 3897.89 2 0 0 -19-244.584 242.410 2 0 0 -19 1662.73 1088.70 3 0 0 -20 346.195 423.179 2 0 0 -20-689.770 579.853 3 0 0 -21 103.531 587.689 3 0 0 -22 391.968 152.619 3 0 0 -23 1215.43 1137.46 3 0 0 -24 2250.75 1617.93 3 0 0 -25 669.073 868.810 3 0 0 -26 282.488 480.280 3 0 0 -27 437.867 1015.06 3 0 0 -28 47.4451 688.496 3 0 1 -28 405.520 1068.18 3 0 1 -27 163.914 198.925 3 0 1 -26-342.795 1261.22 3 0 1 -25-350.250 733.221 3 0 1 -24-480.491 493.964 3 0 1 -23 249.310 510.002 3 0 1 -22 326.872 862.004 3 0 1 -21 646.116 941.018 3 0 1 -20-32.2962 989.355 3 0 1 -19 5418.99 1349.03 2 0 1 -19 6510.87 2206.12 3 0 1 -18 5696.50 2056.78 3 0 1 -18 4665.87 1195.85 2 0 1 -17 567.737 788.332 2 0 1 -17-274.168 857.003 3 0 1 -16-665.809 650.655 3 0 1 -16 1150.31 371.002 2 0 1 -15 1714.36 1250.35 3 0 1 -15 2105.62 802.309 2 0 1 -14 132.423 389.704 2 0 -1 14-208.203 320.870 5 0 1 -14-630.490 558.452 3 0 1 -13 452.490 489.080 2 0 1 -13-119.321 654.610 3 0 -1 13 375.078 223.319 5 0 1 -12 4767.25 1186.18 2 0 1 -12 4104.84 1415.27 3 0 -1 12 4572.04 940.229 5 0 -1 11 102786. 5030.10 5 0 1 -11 88997.2 6654.60 3 0 1 -11 89835.4 5351.15 2 0 -1 10 897.456 375.817 5 0 1 -10 1632.35 644.132 3 0 1 -10 1541.50 399.586 2 0 -1 9 56046.3 3371.43 5 0 1 -9 54110.5 3747.67 2 0 1 -9 47586.7 4501.66 3 0 1 -8 5480.24 1059.52 2 0 -1 8 5698.33 961.710 5 0 1 -8 5402.66 1430.98 3 0 -1 7 83031.3 4511.67 2 0 1 -7 90360.9 4739.91 2 0 1 -7 86360.6 5810.79 3 0 -1 7 91012.0 4295.06 5 0 -1 6 635235. 16652.5 5 0 1 -6 609794. 19098.0 3 0 -1 6 612276. 17569.5 2 0 1 -6 613548. 17286.9 2 0 1 -5 12244.8 1883.06 3 0 -1 5 16999.9 1953.42 2 0 -1 5 14285.7 1492.13 5 0 -1 4 13060.9 1690.55 2 0 -1 4 11417.7 1299.74 5 0 1 -4 12431.7 1518.33 5 0 1 -4 12845.6 1967.35 3 0 1 -3 78052.4 4277.74 3 0 1 -3 82364.5 3948.53 5 0 -1 3 75761.1 4493.74 3 0 -1 3 76792.4 3719.22 5 0 -1 2 264926. 8828.76 3 0 1 -2 250402. 8147.84 5 0 -1 -5 16034.1 1975.92 2 0 -1 -6 767760. 21840.3 2 0 -1 -7 108729. 6223.96 2 0 -1 -8 9651.27 1941.55 2 0 -1 -9 72822.5 5395.52 2 0 -1 -10 814.619 556.680 2 0 -1 -11 142577. 8304.61 2 0 -1 -12 6065.28 1486.83 2 0 1 12 3821.88 735.445 5 0 -1 -13 255.542 297.897 2 0 1 13 546.090 257.148 5 0 -1 -14 1480.60 1087.68 2 0 -1 -15 1011.40 803.273 2 0 -1 -16 4008.05 1373.22 2 0 -1 -17-491.137 543.218 2 0 -1 -18 8379.49 1979.15 2 0 -1 -19 8734.20 2078.85 2 0 -1 -20 1519.93 1070.77 2 0 -1 -25 1076.12 820.167 3 0 -1 -26 743.526 888.539 3 0 -1 -27 514.336 1085.26 3 0 -1 -28 143.901 372.948 3 0 2 -28-221.800 548.074 3 0 2 -27-181.513 949.553 3 0 2 -26 623.606 1113.03 3 0 2 -25 590.437 815.738 3 0 2 -24 747.217 903.577 3 0 2 -23 609.897 1136.67 3 0 2 -22 6.75300 422.595 3 0 2 -21 244.261 697.398 3 0 2 -20 4010.39 1687.65 3 0 2 -19 1395.33 1119.67 3 0 2 -18 587.508 787.634 3 0 2 -17 9286.51 2632.18 3 0 2 -16 333.803 601.503 3 0 2 -15-1291.14 980.305 3 0 2 -14 16886.7 3353.76 3 0 2 -13 486.464 562.907 3 0 2 -12 14526.2 2815.38 3 0 2 -11 20406.4 3272.49 3 0 2 -10 131817. 8467.01 3 0 2 -9-205.336 706.766 3 0 2 -8 106380. 7219.29 3 0 2 -7 12004.4 2285.50 3 0 2 -7 13827.4 2241.55 5 0 2 -6 321.546 804.278 3 0 2 -6 603.183 176.650 5 0 2 -5 1844.01 746.129 5 0 2 -5 1229.36 700.995 3 0 2 -4 93291.6 5936.90 3 0 2 -4 100580. 5795.96 5 0 2 -3 957.885 507.652 5 0 2 -3 861.996 622.083 3 0 2 -2 635380. 17159.0 4 0 -2 2 614969. 17779.0 1 0 2 -2 676080. 18815.4 5 0 2 -1 674226. 17928.1 4 0 2 -1 634116. 18596.3 5 0 -2 1 635003. 17401.9 1 0 2 0 247982. 9609.59 5 0 -2 0 261333. 8043.13 1 0 2 0 262144. 7627.14 1 0 2 1 632203. 17874.4 5 0 2 1 607487. 14710.8 1 0 2 2 621702. 14991.1 1 0 2 2 659278. 18222.5 5 0 2 3 1685.82 735.959 5 0 2 4 96447.2 5103.16 5 0 2 5 2543.03 694.176 5 0 2 6 405.904 276.395 5 0 2 7 14043.5 1846.72 5 0 2 8 130736. 6220.99 5 0 -2 -8 132475. 7754.50 2 0 2 9 576.591 350.589 5 0 -2 -9-625.994 773.267 2 0 -2 -10 184773. 10204.3 2 0 2 10 185890. 7891.10 5 0 2 11 31305.4 2865.69 5 0 -2 -11 31278.8 4186.23 2 0 2 12 23713.9 2502.22 5 0 -2 -12 20209.5 3400.92 2 0 -2 -13 2246.20 1145.29 2 0 2 13 3029.73 958.840 5 0 -2 -14 32908.4 4687.59 2 0 2 14 29824.7 2928.16 5 0 2 15-236.833 373.277 5 0 -2 -15 614.951 697.984 2 0 -2 -16 3157.93 1478.19 2 0 -2 -17 16349.6 3253.75 2 0 -2 -18-430.093 499.326 2 0 -2 -19 2529.75 1306.28 2 0 -2 -20 5310.44 1663.49 2 0 -2 -21 1552.18 749.889 2 0 3 -27 877.677 1456.79 3 0 3 -26 389.258 624.747 3 0 3 -25 420.246 634.886 3 0 3 -24 542.054 405.025 3 0 3 -23 181.133 398.824 3 0 3 -22 618.537 905.881 3 0 3 -21 428.574 594.857 3 0 3 -20 3411.94 1704.32 3 0 3 -19 314.410 428.466 3 0 3 -18 385.040 481.802 3 0 3 -17 655.555 711.546 3 0 3 -16 679.495 333.518 3 0 3 -15 393.460 575.909 3 0 3 -14 1827.07 1248.28 3 0 3 -13 630.493 596.859 3 0 3 -12 2678.23 1290.06 3 0 3 -11 3402.34 1521.09 3 0 3 -10 9405.14 2296.33 3 0 3 -9 173604. 10465.9 3 0 3 -8 113532. 8153.61 3 0 3 -8 131204. 8651.25 5 0 3 -7 52004.7 5261.40 3 0 3 -7 54656.2 5254.18 5 0 3 -6 10633.0 2251.64 3 0 3 -6 11766.2 2313.04 5 0 3 -5 62903.0 5359.29 5 0 3 -5 61798.1 5430.74 3 0 3 -4 73678.1 5674.50 5 0 3 -4 68612.1 4766.03 4 0 3 -3 77888.7 4997.88 4 0 3 -3 81696.8 5848.47 5 0 3 -2 4082.75 1110.50 5 0 3 -2 5187.44 1123.74 4 0 -3 1 49000.3 3637.39 1 0 3 -1 53902.5 4523.45 5 0 -3 0 403.322 275.322 1 0 3 0 398.153 631.625 5 0 3 1 55338.1 4461.58 5 0 3 1 48585.5 2557.99 1 0 3 2 3393.84 535.333 1 0 3 2 5015.10 1304.70 5 0 3 3 73147.3 3169.74 1 0 3 3 80103.3 5503.84 5 0 3 4 70057.6 5091.20 5 0 3 5 64532.8 4896.23 5 0 3 6 11891.3 1948.78 5 0 3 7 56171.3 4604.92 5 0 3 8 137883. 7653.59 5 0 3 9 236035. 10669.1 5 0 3 10 14175.7 2351.24 5 0 -3 -10 15556.4 2914.24 2 0 -3 -11 6509.31 1818.25 2 0 3 11 6605.66 1564.52 5 0 -3 -12 4048.37 1734.15 2 0 3 12 5333.77 1408.39 5 0 -3 -13 2475.54 1127.86 2 0 3 13 1908.67 795.943 5 0 -3 -14 3839.45 1466.16 2 0 3 14 4764.86 1386.09 5 0 3 15-162.754 382.612 5 0 -3 -15 1693.52 1639.36 2 0 -3 -16 113.354 332.877 2 0 -3 -17 2926.42 1608.04 2 0 -3 -18 2584.07 1642.03 2 0 -3 -19 1890.72 1340.82 2 0 -3 -20 5896.18 2220.02 2 0 -3 -21 2682.42 1650.61 2 0 -3 -22 1948.90 1567.65 2 0 4 -26 383.382 1146.90 3 0 4 -25-1144.38 1064.11 3 0 4 -24 569.150 1133.46 3 0 4 -23 558.339 787.153 3 0 4 -22 122.558 140.090 3 0 4 -21 247.498 457.957 3 0 4 -20-573.823 685.000 3 0 4 -19 6250.70 2488.33 3 0 4 -18 790.735 264.728 3 0 4 -17 2171.25 1205.25 3 0 4 -16 213.064 506.006 3 0 4 -15-383.777 990.532 3 0 4 -14 4807.88 1974.67 3 0 4 -13 2130.65 1596.32 3 0 4 -12 7956.29 2304.01 3 0 4 -11 27636.8 4287.98 3 0 4 -10 1686.54 1246.63 3 0 4 -9 21943.7 3827.44 5 0 4 -9 17879.0 3380.67 3 0 4 -8-864.550 813.606 3 0 4 -8 1503.82 1006.07 5 0 4 -7 92217.5 7595.33 5 0 4 -6-126.240 318.451 5 0 4 -6 1343.35 934.212 4 0 4 -5 8294.52 1827.29 4 0 4 -5 8636.65 2172.83 5 0 4 -4 1724.53 776.011 5 0 4 -4 2053.52 865.790 4 0 4 -3 39738.4 4180.44 4 0 4 -3 35191.6 4279.30 5 0 4 -2 4519.11 1456.47 5 0 4 -1 2445.11 985.059 5 0 4 0 215398. 10984.5 5 0 4 1 1867.63 1182.24 5 0 4 2 4999.77 1525.99 5 0 4 3 38847.0 4251.27 5 0 4 3 26014.8 1666.99 1 0 4 4 1219.55 805.732 5 0 4 4 762.747 188.643 1 0 4 5 6737.47 935.656 1 0 4 5 9961.29 2202.57 5 0 4 6 969.175 529.075 5 0 4 7 101118. 7281.92 5 0 4 8-322.532 395.617 5 0 4 9 26089.7 3700.37 5 0 4 10 1871.32 1000.99 5 0 4 11 46633.3 5141.24 5 0 -4 -12 12953.6 3025.13 2 0 4 12 13892.6 2746.87 5 0 -4 -13-469.632 1090.08 2 0 4 13 479.569 323.347 5 0 -4 -14 10709.4 3063.33 2 0 4 14 11142.1 2578.54 5 0 4 15-836.147 725.297 5 0 -4 -15-807.123 1238.76 2 0 -4 -16 994.028 1060.90 2 0 -4 -17 4940.53 1866.44 2 0 -4 -18 4968.33 2055.24 2 0 -4 -19 10485.2 3009.65 2 0 -4 -20 1294.38 1476.65 2 0 -4 -21 2015.80 1609.94 2 0 -4 -22-169.364 178.110 2 0 -4 -23 2070.82 1206.46 2 0 5 -25 795.000 1536.11 3 0 5 -24-441.404 676.499 3 0 5 -23 175.889 792.634 3 0 5 -22 132.513 382.304 3 0 5 -21-505.911 1015.17 3 0 5 -20-325.612 545.024 3 0 5 -19 908.433 1100.38 3 0 5 -18 1198.90 873.841 3 0 5 -17 4857.72 2008.45 3 0 5 -16-115.496 269.168 3 0 5 -15 598.522 829.482 3 0 5 -14 3845.23 1954.75 3 0 5 -13 17473.7 3855.90 3 0 5 -12-689.960 869.645 3 0 5 -9 162.835 598.852 5 0 5 -9 108.191 296.444 4 0 5 -8 15661.8 2861.48 4 0 5 -8 19004.0 3678.37 5 0 5 -7 2932.52 1309.34 5 0 5 -7 4069.50 1462.18 4 0 5 -6 28976.6 3929.29 4 0 5 -6 33053.7 4710.37 5 0 5 -5 5565.31 1783.56 4 0 5 -5 5215.93 1758.18 5 0 5 -4 26911.6 4150.53 5 0 5 -3 1686.09 1119.48 5 0 5 -2 115.157 514.488 5 0 5 -1 109181. 8326.14 5 0 5 0 338.936 505.043 5 0 5 1 110044. 8277.87 5 0 5 2 43.2925 401.591 5 0 5 3 1713.95 930.110 5 0 5 4 27958.5 4084.06 5 0 5 5 5570.13 1805.41 5 0 5 6 33623.9 4485.56 5 0 5 7 2012.18 494.737 1 0 5 7 4574.94 1693.37 5 0 5 8 13941.7 1682.84 1 0 5 8 24008.5 3810.96 5 0 5 9 38.3956 628.387 5 0 5 10 26061.4 4146.35 5 0 5 11 46180.9 5686.44 5 0 5 12-295.399 265.291 5 0 -5 -13 31524.5 5621.96 2 0 5 13 31826.1 4910.37 5 0 5 14 8796.27 2504.85 5 0 -5 -14 11407.7 3140.28 2 0 -5 -15-1318.49 1432.14 2 0 5 15 1336.97 951.502 5 0 -5 -16 498.056 238.997 2 0 -5 -17 9252.33 2961.58 2 0 -5 -18 2748.01 1824.39 2 0 -5 -19 869.409 1294.20 2 0 -5 -20 412.134 593.916 2 0 -5 -21 1007.60 934.735 2 0 -5 -22 1375.78 1186.55 2 0 -5 -23 1326.08 1330.14 2 0 6 -23-701.569 864.005 3 0 6 -22 191.923 1160.56 3 0 6 -21 371.218 804.427 3 0 6 -20 353.846 722.577 3 0 6 -19 830.198 1102.91 3 0 6 -18 828.828 1205.27 3 0 6 -17 7704.60 2727.95 3 0 6 -14 655.422 600.292 4 0 6 -13 1146.10 943.709 4 0 6 -12 563.350 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2191.52 1550.64 2 3 -5 -15 6888.79 2714.85 2 3 -5 -14 4180.69 2046.95 2 3 -5 -13 369.919 1000.63 2 3 -5 -12 1734.43 774.323 2 3 -5 -11 1657.40 956.479 2 3 -5 -10 1988.64 1305.74 2 3 -5 -9 5488.43 2336.46 2 3 -5 -8 3139.86 1481.64 2 3 -5 -7 4646.79 2204.18 2 3 -5 -6 6150.39 1736.36 2 -3 5 6 2181.38 950.570 1 3 -5 -5 7670.79 2394.20 2 -3 5 5 4133.49 1526.97 1 3 -5 -4 11285.2 3147.84 2 -3 5 4 11281.6 2507.75 1 -3 5 3 12701.4 2712.12 1 3 -5 -3 11650.1 2796.26 2 -3 5 2 14606.3 2894.41 1 3 -5 -2 18124.3 3614.38 2 3 -5 -1 2549.53 1484.24 2 -3 5 1 3230.06 1682.52 1 3 -5 0 5728.72 1966.14 2 -3 5 0 4978.79 1904.11 1 3 -5 1 4341.53 1839.92 2 -3 5 -1 4122.77 1575.81 1 3 -5 2 15326.6 3054.78 2 -3 5 -2 12025.3 2928.81 4 -3 5 -2 15206.6 3141.78 1 -3 5 -3 11717.6 2779.26 1 3 -5 3 15053.4 3135.36 2 -3 5 -3 9885.83 2503.66 4 -3 5 -4 9672.52 2476.45 4 3 -5 4 15071.5 3072.92 2 -3 5 -4 17970.6 3329.12 1 3 -5 5 7821.60 2223.91 2 -3 5 -5 5528.54 1910.01 4 -3 5 -5 8216.41 2213.97 1 -3 5 -6 6089.73 2014.10 1 3 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6130.71 1132.51 3 3 1 -4 62890.2 6192.10 2 3 1 -3 93600.1 7395.49 2 3 1 -2 52750.5 5485.23 2 -3 -1 2 51010.0 2679.30 4 -3 -1 -2 56645.0 4346.22 1 -3 -1 -3 95448.2 5986.39 1 -3 -1 -4 70811.6 5087.97 1 -3 -1 -5 9827.90 1811.17 1 -3 -1 -6 31992.1 3522.24 1 -3 -1 -7 30965.4 3578.80 1 -3 -1 -8 136566. 8418.34 1 -3 -1 -9-368.733 671.796 1 -3 -1 -10 71502.7 6192.61 1 -3 -1 -14 11415.8 1897.50 2 -3 -1 -15 5672.93 1324.18 2 -3 -1 -21 3.55648 662.630 3 -3 -1 -22 87.2827 322.266 3 -3 -1 -23 613.506 943.564 3 -3 -1 -24 804.521 1094.51 3 -3 -1 -25 996.025 1035.32 3 -3 -1 -26 1059.99 1014.05 3 -3 -1 -27 113.183 681.141 3 3 2 -25 28.0019 864.436 3 3 2 -24 101.627 432.686 3 3 2 -23-165.382 276.023 3 3 2 -22-107.622 291.938 3 3 2 -21 459.221 961.529 3 3 2 -20 322.174 232.350 3 3 2 -19-145.567 653.181 3 3 2 -18 734.329 787.535 3 3 2 -17 4047.61 1529.97 2 3 2 -17 2416.50 1268.83 3 3 2 -16 7894.66 2090.71 2 3 2 -16 4089.37 1602.57 3 3 2 -15 5321.65 1618.69 2 3 2 -15 2519.55 1136.09 3 3 2 -14 9328.96 1908.37 5 3 2 -14 9496.59 2319.70 2 3 2 -14 6097.43 1869.32 3 3 2 -13 2811.22 996.970 5 3 2 -13 1289.85 914.430 2 3 2 -13 1256.81 776.988 3 3 2 -12 15776.1 3069.70 2 3 2 -12 8514.45 1939.68 3 3 2 -11 8943.29 2089.53 2 3 2 -11 8939.31 2036.98 3 3 2 -10 6293.83 1627.18 3 3 2 -9 6257.21 1648.50 3 3 2 -8 40703.5 4324.18 3 3 2 -7 37006.3 3943.18 3 -3 -2 3 19173.8 2079.23 3 -3 -2 2 60431.3 3718.83 3 -3 -2 -3 20483.5 2424.77 1 -3 -2 -4 174536. 8256.90 1 -3 -2 -5 11706.2 1909.32 1 -3 -2 -6 11986.0 2141.18 1 -3 -2 -7 46722.7 4275.69 1 -3 -2 -8 49055.5 4600.90 1 -3 -2 -9 8324.45 1803.61 1 -3 -2 -16 9442.86 2080.38 2 -3 -2 -26-202.905 688.424 3 3 3 -24 271.743 461.823 3 3 3 -23-19.0976 884.957 3 3 3 -22 172.017 524.115 3 3 3 -21-174.506 838.915 3 3 3 -20 605.838 1076.03 3 3 3 -19 520.257 714.998 3 3 3 -18 94.3803 718.081 3 3 3 -17-275.984 507.327 3 3 3 -16 1184.07 737.248 3 3 3 -15 3199.52 1185.53 5 3 3 -15 2402.04 1237.97 3 3 3 -14 2381.14 1190.91 3 3 3 -14 3179.92 1214.21 5 3 3 -13 4605.56 1386.47 5 3 3 -13 5164.30 1619.81 3 3 3 -12 4334.86 1581.33 3 3 3 -12 5118.48 1476.13 5 3 3 -11 11414.4 2256.99 5 3 3 -11 10661.7 2617.59 3 3 3 -10 28369.8 4311.83 3 -3 -3 -3 31434.8 2975.14 1 -3 -3 -4 28471.1 2828.74 1 -3 -3 -5 31990.9 3011.35 1 -3 -3 -6 6675.14 1310.84 1 -3 -3 -7 21138.5 2520.44 1 -3 -3 -17-237.966 125.812 2 3 4 -22 140.697 322.250 3 3 4 -21 1101.69 1059.93 3 3 4 -20 528.358 777.339 3 3 4 -19 820.125 950.587 3 3 4 -18-32.4084 800.262 3 3 4 -17 927.185 784.600 3 3 4 -16 1286.21 709.038 3 3 4 -15 837.116 873.411 3 3 4 -15 1133.47 956.926 5 3 4 -14 2081.30 896.097 5 3 4 -14 1688.86 962.697 3 3 4 -13 2185.75 1019.50 5 3 4 -13 2040.30 1211.90 3 3 4 -12 4532.94 1608.84 5 3 4 -11 6684.85 1824.74 5 3 4 -10 14256.6 2731.95 5 3 4 -9 44666.9 4865.67 5 3 4 -8 1132.38 694.211 5 -3 -4 1 14556.5 1477.85 4 -3 -4 -3 37212.4 2912.73 1 -3 -4 -4 18485.1 1955.18 1 -3 -4 -5 29990.2 2353.53 1 -3 -4 -18 445.621 332.210 2 3 5 -21-633.932 729.409 3 3 5 -20 170.853 367.570 3 3 5 -19 249.246 830.347 3 3 5 -15 1760.93 1065.34 5 3 5 -14 5.66134 331.832 5 3 5 -13 501.673 482.651 5 3 5 -12 615.275 912.314 5 3 5 -11 708.202 656.439 5 3 5 -10 910.758 392.904 5 3 5 -9 2610.47 1349.39 5 3 5 -8 2038.98 1276.15 5 3 5 -7 1812.06 1246.41 5 3 5 -6 3496.03 1417.89 5 3 5 -5 4552.36 1608.50 5 -3 -5 -2 9285.54 1277.74 1 3 6 -15 496.436 852.465 5 3 6 -14 669.956 842.221 5 3 6 -13 23.7086 365.543 5 3 6 -12 146.116 688.852 5 3 6 -11 2780.49 1547.76 5 3 6 -10 2486.86 1211.36 5 3 6 -9 993.980 835.645 5 3 6 -8 1810.98 970.325 5 3 6 -7 11411.4 2789.79 5 3 6 -6 1267.32 1000.25 5 3 6 -5 1184.89 1185.61 5 3 6 -4 7356.90 2147.17 5 3 6 -3 12435.8 2951.91 5 3 6 -2 7347.19 2103.18 5 3 6 -1 14206.0 3126.57 5 3 6 0 717.042 742.200 5 3 6 1 14174.5 3265.20 5 3 6 2 9840.01 2643.43 5 3 6 12 3085.25 1910.63 5 3 6 13 782.466 1334.96 5 3 6 14 1972.70 1231.48 5 3 6 15-154.942 669.310 5 3 6 16 959.970 924.274 5 -3 -6 -19 1926.80 1670.54 2 3 7 -15 569.060 1114.47 5 3 7 -14 244.110 375.042 5 3 7 -13 816.440 867.457 5 3 7 -12 85.9331 790.299 5 3 7 -11-642.345 720.816 5 3 7 -10 519.947 429.273 5 3 7 -9 523.434 732.706 5 3 7 -8 636.915 1059.19 5 3 7 -7 2604.51 1483.68 5 3 7 -6 1156.47 1053.62 5 3 7 -5 1238.04 813.372 5 3 7 -4 669.327 767.092 5 3 7 -3 339.603 815.254 5 3 7 -2 894.804 1064.60 5 3 7 -1 1742.79 1193.58 5 3 7 0 3989.55 1904.49 5 3 7 1 4546.28 1938.65 5 3 7 2 1093.75 883.064 5 3 7 3 1747.45 1471.29 5 3 7 4 1837.51 1000.91 5 3 7 5 1736.83 1076.78 5 3 7 6 2143.59 1614.66 5 3 7 7 4899.95 2399.51 5 3 7 8 1785.78 1583.21 5 3 7 9 2586.83 1704.88 5 3 7 10 1221.64 1355.17 5 3 7 11 1479.30 1801.43 5 3 7 12 432.300 733.017 5 3 7 13 550.865 562.606 5 3 7 14-1352.45 1410.00 5 3 7 15 652.592 1175.70 5 3 7 16 927.915 1344.91 5 -3 -7 -19 397.413 1379.40 2 3 8 -15-327.983 566.314 5 3 8 -14 410.754 798.549 5 3 8 -13-40.0250 709.527 5 3 8 -12-57.3450 648.908 5 3 8 -11-228.147 205.973 5 3 8 -10-899.332 886.311 5 3 8 -9 365.549 464.453 5 3 8 -8 1054.06 1265.41 5 3 8 -7-273.633 482.708 5 3 8 -6 762.644 997.319 5 3 8 -5 1068.10 1357.75 5 3 8 -4 1971.25 1193.21 5 3 8 -3 1311.23 1126.70 5 3 8 -2 939.166 915.064 5 3 8 -1 871.858 883.099 5 3 8 0 10421.1 3184.50 5 3 8 1 2505.17 1498.41 5 3 8 2 2672.07 1834.59 5 3 8 3 901.339 873.022 5 3 8 4 1202.49 1409.21 5 3 8 5-218.901 707.537 5 3 8 6 1045.42 1182.19 5 3 8 7 616.857 961.176 5 3 8 8 422.820 944.091 5 3 8 9 1064.24 793.649 5 3 8 10 2031.02 1742.79 5 3 8 11 690.390 1569.26 5 3 8 12 422.852 1187.06 5 3 8 13 748.766 703.435 5 3 8 14 1076.67 1511.16 5 3 8 15 366.154 382.318 5 3 9 -15 68.6237 763.969 5 3 9 -14-206.174 461.422 5 3 9 -13 203.493 483.510 5 3 9 -12 329.955 572.634 5 3 9 -11 161.548 597.780 5 3 9 -10 292.912 683.827 5 3 9 -9-0.35209 355.738 5 3 9 -8 664.306 918.098 5 3 9 -7-9.42062 431.144 5 3 9 -6 343.544 949.290 5 3 9 -5 1463.30 1493.26 5 3 9 -4 354.155 505.011 5 3 9 -3 403.284 371.808 5 3 9 -2 1735.08 1213.80 5 3 9 -1 1966.56 1377.39 5 3 9 0 621.272 870.782 5 3 9 1 411.341 981.877 5 3 9 2 1445.05 1314.86 5 3 9 3 319.302 315.951 5 3 9 4 1503.30 1231.08 5 3 9 5 1983.22 1723.27 5 3 9 6 2383.22 1796.02 5 3 9 7 150.712 615.547 5 3 9 8 1710.30 1699.43 5 3 9 9-7.54489 1022.41 5 3 9 10 700.540 650.584 5 3 9 11-145.057 865.701 5 3 9 12 1621.76 1939.16 5 3 9 13 404.749 1131.57 5 3 9 14 166.264 537.416 5 4 -10 -3 2.42339 785.064 2 4 -10 -2-1009.35 1463.37 2 4 -10 -1 406.374 2067.49 2 4 -10 0-1521.81 1753.23 2 4 -9 -10 2855.56 1697.23 2 4 -9 -9-1188.64 2685.96 2 4 -9 -8 866.459 1910.72 2 4 -9 -7 1680.99 2128.09 2 4 -9 -6 1517.61 1732.80 2 4 -9 -5 558.818 805.388 2 4 -9 -4-3039.83 2413.92 2 4 -9 -3-5521.64 3216.48 2 4 -9 -2 1032.00 2196.89 2 4 -9 -1 4142.42 3170.34 2 4 -9 0 5531.88 3066.25 2 4 -9 1-484.605 1585.09 2 4 -9 2 981.118 1491.40 2 4 -8 -14 687.828 1709.55 2 4 -8 -13 1764.89 991.672 2 4 -8 -12 987.531 2059.24 2 4 -8 -11 3567.49 2753.17 2 4 -8 -10 1446.06 920.720 2 4 -8 -9-1610.26 1387.12 2 4 -8 -8 3689.30 2327.41 2 4 -8 -7 5968.86 2701.58 2 4 -8 -6 9998.50 4550.47 2 4 -8 -5 729.228 1513.67 2 4 -8 -4 3744.86 2741.32 2 4 -8 -3 1410.84 2243.39 2 4 -8 -2-1934.43 1792.16 2 4 -8 -1 1489.63 1577.67 2 4 -8 0 1545.61 1633.71 2 4 -8 1 2610.76 1945.60 2 4 -8 2 2058.45 1077.80 2 4 -8 3 954.170 874.469 2 4 -8 4 5450.42 2988.46 2 -4 8 -5 839.748 1239.49 1 -4 8 -9 743.812 724.464 4 -4 8 -10 1129.99 1532.61 4 -4 8 -11-0.78442 28.8769 4 -4 8 -12 601.157 1330.22 4 -4 8 -13 795.009 1044.13 4 -4 8 -14-1014.78 1055.08 4 -4 8 -15 568.009 727.656 4 -4 8 -16 93.2402 285.637 4 4 -7 -18 2673.49 2819.72 2 4 -7 -17-914.841 1594.38 2 4 -7 -16 57.2079 1584.22 2 4 -7 -15 2754.39 2035.41 2 4 -7 -14-472.560 1328.75 2 4 -7 -13 469.748 935.907 2 4 -7 -12 682.352 344.613 2 4 -7 -11 1726.47 2040.84 2 4 -7 -10 851.803 399.071 2 4 -7 -9 3812.48 2683.78 2 4 -7 -8 2524.42 2181.69 2 4 -7 -7 2112.75 1882.90 2 4 -7 -6 1209.77 1256.28 2 4 -7 -5 1792.86 1591.37 2 4 -7 -4 134.098 916.379 2 -4 7 4 1280.62 1309.55 1 4 -7 -3-326.159 1106.37 2 -4 7 3 846.541 1460.47 1 4 -7 -2 7873.07 3197.67 2 -4 7 2 4041.83 2107.85 1 4 -7 -1 2594.51 1892.62 2 -4 7 1 1914.85 1372.93 1 -4 7 0 5650.51 2591.31 1 4 -7 0 7879.01 3070.65 2 -4 7 -1 1584.86 1419.19 1 4 -7 1 2077.72 1481.72 2 4 -7 2 7134.68 2421.31 2 -4 7 -2 6913.56 2484.02 1 4 -7 3 99.6182 871.287 2 -4 7 -3 2034.28 1480.55 1 -4 7 -4 468.509 688.734 1 4 -7 4 725.051 542.999 2 4 -7 5 731.471 865.380 2 -4 7 -5 1657.51 1438.57 1 -4 7 -6-409.632 189.390 4 -4 7 -6-22.7682 748.863 1 -4 7 -7 871.891 599.717 4 -4 7 -7 884.902 72.5946 1 -4 7 -8 1256.51 1206.54 4 -4 7 -8 1004.04 1108.48 1 -4 7 -9-758.950 1212.22 4 -4 7 -10 390.450 362.386 4 -4 7 -11 1620.63 1761.84 4 -4 7 -12 168.970 643.185 4 -4 7 -13 1012.48 1207.19 4 -4 7 -14 1111.00 1468.65 4 -4 7 -15 235.501 71.9314 4 -4 7 -16 419.188 679.138 4 -4 7 -17-256.638 432.761 4 -4 7 -18-56.0573 799.835 4 -4 7 -19-66.0242 640.020 4 4 -6 -20 295.004 1045.42 2 4 -6 -19 50.4959 831.332 2 4 -6 -18 1128.58 1479.87 2 4 -6 -17 2095.42 1435.97 2 4 -6 -16 2361.44 1565.60 2 4 -6 -15 3621.41 1916.07 2 4 -6 -14 3117.25 1655.24 2 4 -6 -13-1779.40 595.945 2 4 -6 -12 1757.30 1690.92 2 4 -6 -11 1432.95 1614.47 2 -4 6 10 1781.25 1265.58 1 4 -6 -10 1637.38 1850.59 2 4 -6 -9-608.446 769.034 2 -4 6 9 1252.03 1110.40 1 4 -6 -8 5321.33 1725.08 2 -4 6 8 4633.61 1932.27 1 4 -6 -7 2646.99 2082.75 2 -4 6 7 139.022 684.228 1 4 -6 -6 9140.91 2674.18 2 -4 6 6 6389.65 2233.22 1 4 -6 -5 4365.84 2470.41 2 -4 6 5 4250.88 1865.10 1 -4 6 4 4460.58 1669.57 1 4 -6 -4 6495.51 2577.91 2 -4 6 3-1203.63 938.913 1 4 -6 -3 441.156 454.225 2 -4 6 2 6759.62 2315.70 1 4 -6 -2 8464.87 2649.35 2 4 -6 -1 4425.97 1912.92 2 -4 6 1 3395.44 1786.46 1 4 -6 0 4571.46 2151.20 2 -4 6 0 1604.89 1388.18 1 4 -6 1 3788.44 1886.78 2 -4 6 -1 1995.00 1320.69 1 -4 6 -2 5934.68 2223.02 1 4 -6 2 6149.27 2230.60 2 -4 6 -3 81.3332 801.629 1 4 -6 3 2229.45 1454.54 2 -4 6 -3 155.311 734.099 4 4 -6 4 8223.77 2603.50 2 -4 6 -4 6433.62 2302.32 1 -4 6 -4 3647.73 1735.51 4 4 -6 5 5604.92 2350.56 2 -4 6 -5 1820.54 620.248 4 -4 6 -5 4230.44 1888.21 1 -4 6 -6 9774.70 2873.99 1 4 -6 6 8487.56 2521.50 2 -4 6 -6 5358.72 2188.66 4 4 -6 7 2022.06 1768.54 2 -4 6 -7 1123.27 322.668 1 -4 6 -7 1096.53 1108.35 4 -4 6 -8 3153.34 1555.91 4 -4 6 -8 3703.00 1743.07 1 -4 6 -9 548.750 1168.03 4 -4 6 -9 2359.99 1724.19 1 -4 6 -10 922.443 774.411 1 -4 6 -10 1505.93 1489.64 4 -4 6 -11 2117.42 1508.48 4 -4 6 -12 1045.93 1002.42 4 -4 6 -13 109.768 308.590 4 -4 6 -14 479.952 488.517 4 -4 6 -15-889.001 1540.22 4 -4 6 -17 362.459 720.293 3 -4 6 -18-506.489 1150.06 3 -4 6 -19 23.9162 858.958 3 -4 6 -20 1422.29 1589.01 3 4 -5 -23 656.721 425.866 2 4 -5 -22 1230.20 1485.39 2 4 -5 -21-644.438 1163.97 2 4 -5 -20 2150.63 1617.66 2 4 -5 -19 877.653 1320.24 2 4 -5 -18 3426.90 2071.87 2 4 -5 -17 1994.88 1342.18 2 4 -5 -16-551.411 532.520 2 4 -5 -15 1831.47 1550.56 2 4 -5 -14-253.128 843.954 2 4 -5 -13 4849.79 1771.10 2 4 -5 -12 2259.37 1330.19 2 4 -5 -11-207.420 1031.57 2 4 -5 -10 9953.02 3026.58 2 4 -5 -9 8251.10 2765.72 2 4 -5 -8 6276.40 2386.24 2 4 -5 -7 6243.38 2196.78 2 4 -5 -6-401.821 812.606 2 -4 5 6-846.523 836.842 1 4 -5 -5 5135.36 1821.97 2 -4 5 5 2624.49 1323.17 1 -4 5 4 4746.32 1752.45 1 4 -5 -4 6510.69 2351.32 2 4 -5 -3 4790.46 1789.03 2 -4 5 3 4302.76 1667.12 1 -4 5 2 7046.49 2292.57 1 4 -5 -2 4909.22 1901.60 2 -4 5 1 4222.14 1951.08 1 4 -5 -1 3254.51 1284.81 2 -4 5 0 16416.6 3414.87 1 4 -5 0 15595.7 3158.97 2 4 -5 1 4869.63 1583.33 2 -4 5 -1 3350.11 1377.89 1 4 -5 2 4949.48 1458.42 2 -4 5 -2 3597.68 1480.19 4 -4 5 -2 4411.62 1746.92 1 4 -5 3 4288.84 1623.33 2 -4 5 -3 2469.08 1549.17 4 -4 5 -3 4672.85 1666.24 1 -4 5 -4 6746.31 2104.68 1 -4 5 -4 5013.61 1934.27 4 4 -5 4 5758.85 1750.11 2 -4 5 -5 5397.77 2056.98 1 -4 5 -5 3140.71 1655.86 4 4 -5 5 4600.95 1606.98 2 4 -5 6 795.913 276.653 2 -4 5 -6 665.630 309.552 4 -4 5 -7 2318.07 1110.11 4 4 -5 7 3683.76 1488.81 2 -4 5 -7 5283.50 1862.00 1 4 -5 8 9281.73 2414.37 2 -4 5 -8 6972.53 2428.12 1 -4 5 -8 6572.30 2446.73 4 -4 5 -9 8006.79 2365.57 1 -4 5 -9 4792.81 2289.85 4 -4 5 -10 9915.60 2827.76 1 -4 5 -10 9121.58 3057.82 4 -4 5 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2282.98 1 4 -3 -2 6931.04 1741.44 2 4 -3 -1 13635.8 2539.10 2 -4 3 1 16324.9 3171.13 4 -4 3 1 12838.2 2649.52 1 4 -3 0 53978.9 5127.85 2 -4 3 0 52571.3 5533.73 1 -4 3 0 52334.3 5623.80 4 -4 3 -1 14262.2 3013.58 1 4 -3 1 11909.8 2367.88 2 -4 3 -1 11486.9 2446.73 4 -4 3 -2 10151.6 2396.54 1 4 -3 2 9247.86 2048.63 2 -4 3 -2 8418.54 2179.09 4 -4 3 -3 5259.33 1695.00 1 4 -3 3 7050.62 1840.50 2 -4 3 -3 4538.54 1725.40 4 -4 3 -4 16041.7 3103.39 1 4 -3 4 15619.4 2799.22 2 -4 3 -4 13554.4 3027.41 4 4 -3 5 26741.1 3599.31 2 -4 3 -5 23257.8 3615.94 1 4 -3 6 6008.04 1954.21 2 -4 3 -6 3386.45 1401.55 3 -4 3 -6 2463.82 1182.32 1 -4 3 -7 27028.3 3898.60 1 -4 3 -7 26742.3 4176.36 3 -4 3 -8 7465.55 2245.57 1 4 -3 8 11312.2 2452.65 2 -4 3 -8 5741.45 2228.00 3 -4 3 -9 1371.45 791.055 3 -4 3 -9 1908.65 941.219 1 4 -3 9 3509.61 1263.98 2 -4 3 -10 6962.66 2395.98 1 -4 3 -10 4541.11 2004.03 3 -4 3 -11 6385.92 1763.04 1 -4 3 -11 6535.09 2506.28 3 -4 3 -12 7176.36 2299.06 1 -4 3 -12 7643.43 2879.71 3 -4 3 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10880.9 2330.66 2 4 -2 -3 12388.8 2353.21 2 4 -2 -2 7530.17 1921.98 2 4 -2 -1 84865.7 6332.52 2 -4 2 1 90008.7 6902.72 4 -4 2 0 19555.1 3409.30 1 -4 2 0 20527.3 3107.20 4 4 -2 0 19038.5 2905.41 2 4 -2 1 94251.2 6587.13 2 -4 2 -1 90780.3 6906.64 4 -4 2 -1 93012.6 7252.45 1 -4 2 -2 6566.66 1858.31 4 4 -2 2 6278.30 1529.00 2 -4 2 -2 6262.62 1723.80 1 -4 2 -3 14051.0 2662.81 1 4 -2 3 16081.3 2800.88 2 -4 2 -3 12801.5 2314.17 3 -4 2 -4 15720.0 2935.03 1 -4 2 -4 11644.2 2288.20 3 4 -2 4 15907.8 2915.35 2 -4 2 -5 13641.6 2595.16 1 -4 2 -5 10039.0 2203.99 3 4 -2 5 16333.2 3003.74 2 -4 2 -6 59957.1 5807.97 1 -4 2 -6 52732.0 5429.73 3 4 -2 7 17436.8 3136.47 2 -4 2 -7 12949.2 2690.62 3 -4 2 -7 14952.5 2845.53 1 -4 2 -8 12084.7 2645.16 1 4 -2 8 6871.11 1519.35 2 -4 2 -8 11730.8 2866.72 3 -4 2 -9 504.197 1063.26 1 -4 2 -9 1529.91 1106.29 3 -4 2 -10 17766.8 3707.16 3 -4 2 -10 18992.1 3390.90 1 -4 2 -11 34074.2 5308.64 3 -4 2 -11 32931.2 4670.17 1 -4 2 -12 6446.59 1733.20 1 -4 2 -12 8474.18 2609.59 3 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63602.5 5662.94 2 4 -1 -3 47381.6 4579.25 3 -4 1 2 18022.7 2744.13 4 4 -1 -2 9180.79 2030.30 3 4 -1 -2 15222.5 2663.69 2 -4 1 1 20650.2 2922.96 4 4 -1 -1 22100.4 3249.04 2 -4 1 0 320.169 158.940 4 4 -1 0-723.344 1177.29 2 -4 1 -1 20931.2 3240.09 1 -4 1 -1 23137.7 3176.19 4 4 -1 1 23548.4 3490.83 2 -4 1 -2 14687.4 2140.57 3 -4 1 -2 15831.7 2833.05 1 4 -1 2 15366.7 2954.68 2 -4 1 -3 70086.6 5971.90 1 -4 1 -3 65706.1 4847.17 3 4 -1 4 9316.57 2694.64 2 -4 1 -4 6882.81 1805.32 1 -4 1 -4 5229.19 1386.84 3 4 -1 5 25851.6 3691.86 2 -4 1 -5 21655.8 3311.64 1 -4 1 -5 24318.7 3249.19 3 -4 1 -6 20785.1 3226.85 1 -4 1 -6 22208.5 3300.11 3 -4 1 -7 20074.5 3271.49 1 -4 1 -7 19126.2 3202.63 3 -4 1 -8 1224.40 1018.13 1 -4 1 -8 120.373 156.052 2 -4 1 -8 823.464 957.031 3 -4 1 -9 33744.4 4326.82 1 -4 1 -9 34802.7 4611.96 3 -4 1 -10 1337.67 1478.79 1 -4 1 -10 1705.54 1159.57 3 -4 1 -11 3003.09 1438.13 1 -4 1 -11-195.865 1038.87 3 -4 1 -12 7613.26 2264.25 1 -4 1 -12 5223.49 1917.32 3 -4 1 -13 6547.95 2106.88 1 -4 1 -13 7467.31 2454.40 3 -4 1 -14 991.908 609.954 3 -4 1 -15-58.2271 715.298 3 -4 1 -16 2435.13 1394.33 3 -4 1 -17 3704.43 1871.94 3 -4 1 -18-494.163 552.062 3 -4 1 -19 1085.59 1103.51 3 -4 1 -20 0.29081 529.981 3 -4 1 -21 781.551 676.428 3 -4 1 -22-508.185 549.150 3 -4 1 -23-1277.82 1034.84 3 -4 1 -24 1224.28 1084.05 3 -4 1 -25-231.314 450.507 3 -4 1 -26 336.742 680.859 3 4 0 -25 260.542 1228.07 2 4 0 -24 466.261 1424.97 2 4 0 -23 422.071 820.091 2 4 0 -22-398.269 1209.61 2 4 0 -21 2414.46 1649.64 2 4 0 -20 134.689 412.322 3 4 0 -20-641.740 1304.64 2 4 0 -19-66.9515 344.890 3 4 0 -19 3978.68 1849.97 2 4 0 -18-4127.86 1863.83 2 4 0 -18 140.878 317.898 3 4 0 -17 3857.87 2192.29 2 4 0 -17 1849.04 1096.21 3 4 0 -16 5969.92 2515.18 2 4 0 -16 1486.01 1156.87 3 4 0 -15 576.292 1153.17 2 4 0 -15-124.509 436.767 3 4 0 -14 867.948 1270.85 2 4 0 -14-1085.99 898.294 3 4 0 -13 20200.8 4489.38 2 4 0 -13 12364.5 2533.98 3 4 0 -12 23082.2 4083.63 2 4 0 -12 15797.0 2545.68 3 4 0 -11 17369.5 3455.46 2 4 0 -10 3319.82 1723.16 2 4 0 -9 2089.08 1618.62 2 4 0 -8 17994.2 3325.91 2 4 0 -7 48330.9 5604.86 2 4 0 -7 22920.0 2142.08 3 4 0 -6-289.290 519.061 2 4 0 -6 107.931 121.137 3 4 0 -5 1873.05 1322.11 2 4 0 -4 365.534 1089.49 2 4 0 -3 89686.7 7856.45 2 4 0 -2 10631.7 2726.89 2 -4 0 2 9829.16 1726.45 4 4 0 -1 44843.2 5144.02 2 -4 0 1 41097.7 3643.66 4 4 0 0 118601. 9088.16 2 -4 0 0 121278. 7098.80 4 4 0 1 44035.9 5356.49 2 -4 0 -1 39551.2 2730.08 3 4 0 2 10725.5 2546.85 2 -4 0 -2 7630.85 1892.74 1 -4 0 -2 8607.66 1364.71 3 -4 0 -3 100322. 7178.11 1 -4 0 -3 94026.4 5595.21 3 -4 0 -4 1115.95 73.7137 1 -4 0 -4 1172.86 867.441 3 -4 0 -5 1134.60 713.555 3 -4 0 -5-381.511 765.817 1 -4 0 -6-34.8328 699.641 3 -4 0 -6 620.130 514.756 1 -4 0 -7 58045.4 5475.64 1 -4 0 -7 59327.6 5664.02 3 -4 0 -8 17896.6 3055.29 3 -4 0 -8 16581.0 2836.17 1 -4 0 -9 1010.38 502.209 3 -4 0 -9 968.808 723.713 1 -4 0 -10 6012.92 1840.94 3 -4 0 -10 7067.07 2178.62 1 -4 0 -11 18256.3 3490.41 3 -4 0 -11 20627.6 3623.76 1 -4 0 -12 23881.9 3910.68 3 -4 0 -12 26688.8 4191.98 1 -4 0 -13 22411.7 3893.50 3 -4 0 -13 27509.6 4382.57 1 -4 0 -14 3.69506 508.279 3 -4 0 -15-52.6708 954.427 3 -4 0 -16 4077.33 1922.18 3 -4 0 -17 783.867 494.304 3 -4 0 -18-24.8329 531.997 3 -4 0 -19 52.9557 152.146 3 -4 0 -20 397.572 717.767 3 -4 0 -21 684.824 869.128 3 -4 0 -22 704.481 1094.08 3 -4 0 -23 704.597 1367.50 3 -4 0 -24 1626.39 1214.77 3 -4 0 -25 353.589 725.240 3 -4 0 -26 500.931 1055.97 3 4 1 -25-968.663 1217.24 2 4 1 -24 1532.82 1847.97 2 4 1 -23 3126.39 1761.12 2 4 1 -22 914.870 1568.01 2 4 1 -21 1721.21 1455.51 2 4 1 -20 1898.26 1756.31 2 4 1 -19 5960.55 2573.13 2 4 1 -19-147.020 369.694 3 4 1 -18 2691.07 1911.66 2 4 1 -18-391.131 1010.08 3 4 1 -17 3318.39 1947.61 2 4 1 -17 1241.77 897.780 3 4 1 -16 1748.50 1309.14 2 4 1 -16 705.228 665.204 3 4 1 -15 2496.84 1668.67 2 4 1 -15 955.768 568.706 3 4 1 -14 255.713 1223.87 2 4 1 -14 394.278 498.606 3 4 1 -13 5173.18 1680.73 2 4 1 -13 3073.47 1128.78 3 4 1 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-6 1244.53 1234.18 1 -8 0 -7 1430.01 1378.11 1 -8 0 -8 369.488 1101.22 1 -8 0 -9 2099.81 1543.72 1 -8 0 -10 984.223 610.912 1 -8 0 -11 1233.78 1429.57 1 -8 0 -12 2033.03 1506.29 1 -8 0 -13 45.3947 218.976 1 -8 0 -14 777.847 682.451 1 -8 0 -15-1828.32 1370.63 1 -8 0 -16 6.57658 592.177 1 -8 0 -17 371.719 618.656 1 8 1 -15 1360.72 2180.29 2 8 1 -14-607.599 1332.81 2 -8 -1 1 2869.36 1974.97 1 -8 -1 0-325.975 1311.55 1 -8 -1 -1-186.479 889.862 1 -8 -1 -2 262.419 469.279 1 -8 -1 -3 2709.93 1868.47 1 -8 -1 -4 2112.52 1234.07 1 -8 -1 -5-1034.47 290.624 1 -8 -1 -6 406.963 1349.51 1 -8 -1 -7-212.583 916.337 1 -8 -1 -8-487.751 652.275 1 -8 -1 -9 1484.95 1361.93 1 -8 -1 -10 896.804 1033.86 1 -8 -1 -11 283.448 832.443 1 -8 -1 -12-255.839 192.687 1 -8 -1 -13 1317.64 1563.91 1 -8 -1 -14-718.089 766.861 1 -8 -1 -15 110.397 478.821 1 -8 -1 -16 216.852 1018.80 1 -8 -1 -17-117.186 507.698 1 -8 -2 1 409.842 1817.83 1 -8 -2 0 1979.09 1924.27 1 -8 -2 -1-1287.75 1770.87 1 -8 -2 -2-597.755 827.507 1 -8 -2 -3-1027.68 924.821 1 -8 -2 -4 733.356 1029.82 1 -8 -2 -5 1596.85 2001.36 1 -8 -2 -6 975.920 1088.58 1 -8 -2 -7 592.666 1205.09 1 -8 -2 -8 453.654 1347.31 1 -8 -2 -9 790.874 1396.19 1 -8 -2 -10-489.210 372.092 1 -8 -2 -11 1334.91 1010.89 1 -8 -2 -12 1012.56 1267.33 1 -8 -2 -13 2192.66 1733.50 1 -8 -3 1-254.892 1358.65 1 -8 -3 0-931.581 1869.78 1 -8 -3 -1 498.611 616.374 1 -8 -3 -2 614.485 1461.70 1 -8 -3 -3 1014.49 1153.55 1 -8 -3 -4-73.3253 426.605 1 -8 -3 -5 528.559 912.433 1 -8 -3 -6 805.457 1410.35 1 -8 -3 -7 1206.86 1270.66 1 -8 -4 1 2962.91 1874.00 1 9 -5 -8 58.1213 290.194 2 9 -5 -7 1835.90 3225.72 2 9 -5 -6-4120.19 2513.22 2 -9 5 5 476.124 1274.09 1 9 -5 -5 80.0102 1151.55 2 -9 5 4 17.6806 841.677 1 9 -5 -4 1487.78 2931.05 2 -9 5 3 187.971 359.741 1 -9 5 2 2836.97 1700.35 1 -9 5 1-729.162 549.819 1 -9 5 0 1606.04 1702.24 1 -9 5 -1 622.880 984.392 1 -9 5 -2-944.362 1256.39 1 -9 5 -3-1223.13 1192.08 1 -9 5 -5 415.128 1222.81 4 -9 5 -6-454.869 741.410 4 -9 5 -7 502.156 983.179 4 9 -4 -10 1573.66 2284.16 2 9 -4 -9 1420.16 1911.67 2 -9 4 9 965.615 1675.69 1 9 -4 -8 619.109 1322.61 2 -9 4 8 1367.58 1114.40 1 9 -4 -7-237.330 1907.30 2 -9 4 7 93.3089 992.686 1 9 -4 -6 4846.31 2566.40 2 -9 4 6-444.778 927.076 1 9 -4 -5-3159.85 2319.87 2 -9 4 5 93.6679 1005.81 1 9 -4 -4 737.675 881.460 2 -9 4 4-594.223 718.670 1 -9 4 3 319.456 1645.18 1 9 -4 -3 2115.02 2388.52 2 9 -4 -2 2761.92 4844.97 2 -9 4 2 2176.65 1594.32 1 -9 4 1 1752.11 1766.34 1 -9 4 0-403.971 725.967 1 -9 4 -1-66.1214 796.945 1 -9 4 -2 1970.87 1709.78 1 -9 4 -3 862.438 959.468 1 -9 4 -4-74.4386 294.382 4 -9 4 -4-351.924 743.760 1 -9 4 -5 0.42092 596.747 4 -9 4 -5 515.232 742.109 1 -9 4 -6-509.150 986.343 4 -9 4 -6 805.288 993.715 1 -9 4 -7 1710.58 1546.98 4 -9 4 -7 1081.83 1505.42 1 -9 4 -8-12.1999 626.064 1 -9 4 -8-273.564 507.882 4 -9 4 -9-292.569 339.731 4 -9 4 -10 16.3449 326.955 4 -9 4 -11 195.759 572.576 4 9 -3 -12 26.3559 1110.50 2 9 -3 -11 3634.26 3216.16 2 9 -3 -10 1615.88 2813.67 2 9 -3 -9 1068.13 2161.69 2 9 -3 -8 1053.05 1932.32 2 -9 3 8-88.7228 726.011 1 9 -3 -7 56.2596 1355.17 2 -9 3 7 801.342 506.780 1 9 -3 -6 16.5625 1824.08 2 -9 3 6 1212.75 1424.83 1 9 -3 -5-3536.87 2554.81 2 -9 3 5 3711.27 2636.53 1 9 -3 -4 4397.63 2395.31 2 -9 3 4-470.549 1348.76 1 9 -3 -3 2062.27 2043.90 2 -9 3 3-175.034 1319.69 1 9 -3 -2 3182.67 2893.00 2 -9 3 2-340.720 967.161 1 -9 3 1-2938.95 1936.71 1 9 -3 -1-3333.23 5460.10 2 -9 3 0 0.44287 675.977 1 -9 3 -1-275.700 336.261 1 -9 3 -2-1539.52 1653.10 1 -9 3 -3 2237.22 1408.19 1 -9 3 -3-287.771 112.915 4 -9 3 -4-554.005 616.063 1 -9 3 -4 741.636 1245.74 4 -9 3 -5 270.726 884.499 4 -9 3 -5-96.9294 604.774 1 -9 3 -6 564.004 911.754 4 -9 3 -6 594.976 557.104 1 -9 3 -7 511.057 614.341 4 -9 3 -7 829.185 633.455 1 -9 3 -8 675.795 775.973 4 -9 3 -8-2152.43 1667.44 1 -9 3 -9 52.8404 914.888 1 -9 3 -9 1711.98 1595.18 4 -9 3 -10 1088.46 1279.48 1 -9 3 -10 134.448 428.031 4 -9 3 -11-2332.14 1803.64 1 -9 3 -11-328.650 854.478 4 -9 3 -12 500.944 1274.26 4 -9 3 -13-45.8403 361.482 4 9 -2 -13 1967.25 2865.24 2 9 -2 -12 5171.91 3511.34 2 9 -2 -11 4141.61 2447.90 2 9 -2 -10-592.983 1218.42 2 9 -2 -9 1815.90 2102.50 2 9 -2 -8 1292.10 2287.30 2 9 -2 -7 3294.77 3326.12 2 9 -2 -6 774.077 1067.29 2 -9 2 6 181.549 595.965 1 9 -2 -5 5864.50 3500.53 2 -9 2 5 1812.44 2177.89 1 9 -2 -4 6176.56 3436.20 2 -9 2 4 428.409 584.565 1 9 -2 -3-2437.77 2099.83 2 -9 2 3-276.875 820.965 1 9 -2 -2 2734.89 3761.96 2 -9 2 2 470.938 1312.34 1 9 -2 -1 6594.79 4311.06 2 -9 2 1 3357.02 2219.38 1 -9 2 0 1775.06 1568.52 1 9 -2 0 5753.73 4924.75 2 -9 2 -1 185.885 1126.77 1 -9 2 -2-805.081 580.640 1 -9 2 -2 115.233 196.476 4 -9 2 -3-574.058 890.282 1 -9 2 -3 625.746 1069.89 4 -9 2 -4 589.979 576.037 1 -9 2 -4-179.029 872.380 4 -9 2 -5-1035.19 677.664 1 -9 2 -5 503.635 733.431 4 -9 2 -6-585.141 970.314 4 -9 2 -6 957.839 1259.93 1 -9 2 -7-381.363 806.465 4 -9 2 -7 1318.30 1666.96 1 -9 2 -8-642.006 940.582 4 -9 2 -8 2725.73 2172.72 1 -9 2 -9-661.363 1286.04 1 -9 2 -9 538.420 1204.80 4 -9 2 -10-355.474 375.995 1 -9 2 -10 949.645 928.602 4 -9 2 -11 1260.06 1450.06 1 -9 2 -11 591.477 813.891 4 -9 2 -12 183.152 495.390 1 -9 2 -12-503.162 1009.93 4 -9 2 -13 1029.00 1234.68 1 9 -1 -13-235.455 1407.76 2 9 -1 -12-2409.06 1905.32 2 9 -1 -11-416.066 725.155 2 9 -1 -10-393.549 126.238 2 9 -1 -9 747.372 349.007 2 9 -1 -8 60.9701 1669.23 2 9 -1 -7 3039.77 2281.60 2 9 -1 -6 1772.28 3175.55 2 9 -1 -5 4483.81 2574.99 2 -9 1 5 6503.79 3528.21 1 9 -1 -4 1257.27 2188.18 2 -9 1 4 5010.37 3436.83 1 9 -1 -3 3510.69 3782.45 2 -9 1 3 1693.06 1876.96 1 9 -1 -2-2624.31 2782.98 2 -9 1 2 860.920 1905.93 1 -9 1 1-620.922 834.131 1 -9 1 0-2465.17 2516.93 1 -9 1 -1-216.562 745.869 1 -9 1 -2 490.271 704.314 1 -9 1 -3-407.801 895.335 1 -9 1 -3 1200.05 1445.56 4 -9 1 -4-906.348 1280.45 1 -9 1 -4 721.192 1030.40 4 -9 1 -5 469.063 1330.43 1 -9 1 -5 1137.68 1141.35 4 -9 1 -6 166.296 639.946 1 -9 1 -6-154.467 935.733 4 -9 1 -7 842.449 985.724 4 -9 1 -7 1488.53 1290.01 1 -9 1 -8 703.668 761.314 4 -9 1 -8-513.122 954.274 1 -9 1 -9 116.138 918.895 4 -9 1 -9 1392.09 1167.14 1 -9 1 -10-874.532 971.920 1 -9 1 -10 106.470 842.869 4 -9 1 -11 1793.12 1327.74 1 -9 1 -12 1623.36 1399.24 1 -9 1 -13 978.206 1174.78 1 -9 1 -14-956.582 1238.66 1 -9 1 -15-1989.22 1514.15 1 9 0 -14 1929.10 1091.12 2 9 0 -13 268.093 690.797 2 9 0 -12-3177.34 2642.91 2 9 0 -11-1375.89 1955.18 2 9 0 -10-1850.34 1625.69 2 9 0 -9-606.210 1124.03 2 9 0 -8 455.726 1559.93 2 -9 0 4-63.7746 1015.94 1 -9 0 3-108.495 228.531 1 -9 0 2 670.565 468.795 1 -9 0 1-568.490 1075.70 1 -9 0 0-165.059 1111.15 1 -9 0 -1-740.606 600.585 1 -9 0 -2 2257.46 1998.42 1 -9 0 -3 1374.49 1637.48 1 -9 0 -4-15.9164 1062.08 1 -9 0 -5-1578.62 2128.43 1 -9 0 -6 6750.12 3282.90 1 -9 0 -7 1135.90 1705.63 1 -9 0 -8 908.538 1035.86 4 -9 0 -8 941.465 1327.96 1 -9 0 -9-292.408 752.060 1 -9 0 -10 622.312 454.821 1 -9 0 -11 483.901 189.339 1 -9 0 -12-1658.24 1669.99 1 -9 0 -13-1681.27 1374.99 1 -9 0 -14 276.748 580.009 1 -9 0 -15 755.481 995.502 1 -9 0 -16 657.117 950.179 1 -9 -1 3 2383.61 1338.81 1 -9 -1 2-1476.31 1851.93 1 -9 -1 1 926.455 1015.26 1 -9 -1 0 560.343 1150.75 1 -9 -1 -1 2089.01 2136.85 1 -9 -1 -2 711.847 1013.73 1 -9 -1 -3-118.396 605.444 1 -9 -1 -4 1551.48 1326.52 1 -9 -1 -5 704.082 1240.64 1 -9 -1 -6 574.849 1388.36 1 -9 -1 -7 1288.75 1068.47 1 -9 -1 -8-12.7240 321.987 1 -9 -1 -9 664.455 1280.23 1 -9 -1 -10 561.080 800.708 1 -9 -1 -11 186.375 974.062 1 -9 -1 -12-528.059 612.552 1 -9 -1 -13 1339.15 1462.83 1 -9 -1 -14-1703.27 1389.35 1 -9 -1 -15-207.093 484.013 1 -9 -2 3 2368.37 2154.55 1 -9 -2 2-875.411 925.751 1 -9 -2 1 676.557 886.316 1 -9 -2 0 88.4358 1770.09 1 -9 -2 -1-1234.88 442.575 1 -9 -2 -2 65.4779 1076.62 1 -9 -2 -3 828.645 1000.63 1 -9 -2 -4-868.197 1481.88 1 -9 -2 -5 7.90127 145.011 1 -9 -2 -6 1420.18 1371.72 1 -9 -2 -7 595.188 1081.05 1 -9 -2 -8 1549.46 1355.69 1 -9 -2 -9-759.549 311.645 1 -9 -2 -10-68.5097 249.819 1 -9 -3 2 858.156 676.991 1 -9 -3 1 1992.03 2362.41 1 -9 -3 0 516.877 1708.51 1 -9 -3 -1 40.2861 1335.92 1 -9 -3 -2-36.7350 1318.06 1 -9 -3 -3-182.575 322.652 1 10 -3 -7 1800.76 3250.48 2 10 -3 -6 25.7296 2406.82 2 10 -3 -5 552.659 2421.59 2 10 -3 -4-5576.70 3774.55 2 -10 3 -5-469.482 756.212 4 -10 3 -6-18.2357 406.801 4 -10 3 -7-317.961 613.283 4 -10 3 -8 163.268 298.673 4 10 -2 -8-1804.27 1829.16 2 10 -2 -7 2517.26 2422.13 2 10 -2 -6 778.962 3198.02 2 10 -2 -5 1077.43 2379.54 2 10 -2 -4 1005.49 2760.61 2 -10 2 4 1066.57 1565.02 1 10 -2 -3-2642.75 2690.11 2 -10 2 3-446.245 820.258 1 -10 2 2-837.395 945.412 1 -10 2 1-1962.64 2045.85 1 -10 2 0 1444.23 2023.92 1 -10 2 -1 1792.76 1788.24 1 -10 2 -2-396.141 831.257 1 -10 2 -3-1888.43 1662.57 1 -10 2 -4-504.106 213.138 1 -10 2 -5-443.350 437.248 1 -10 2 -7 321.939 846.290 4 -10 2 -8 549.174 1094.53 4 -10 2 -9-813.283 955.184 4 -10 2 -10-685.267 884.240 4 -10 2 -11 68.4734 791.352 4 10 -1 -9 3730.41 2574.27 2 10 -1 -8 26913.9 7467.51 2 10 -1 -7-356.162 1864.53 2 10 -1 -6 571.227 1057.68 2 -10 1 6 676.567 855.603 1 -10 1 5 460.152 1224.97 1 -10 1 4-1853.34 2252.62 1 -10 1 3-506.843 753.431 1 -10 1 2 335.393 73.5274 1 -10 1 1 58.2066 1313.28 1 -10 1 0-1825.18 1776.63 1 -10 1 -1-3006.73 2231.32 1 -10 1 -2-516.526 1204.33 1 -10 1 -3 332.983 1246.33 1 -10 1 -4 347.422 1434.47 1 -10 1 -5 800.315 1773.63 1 -10 1 -6 407.867 1646.60 1 -10 1 -7 1963.19 1930.49 1 -10 1 -8 387.229 1190.04 1 -10 0 6-1604.50 1707.12 1 -10 0 5-507.760 1745.85 1 -10 0 4 5352.55 3748.93 1 -10 0 3 6713.54 4018.99 1 -10 0 2-1269.15 2187.67 1 -10 0 1-833.734 566.832 1 -10 0 0-1283.96 1602.30 1 -10 0 -1 1051.05 1958.96 1 -10 0 -2 245.725 1336.68 1 -10 0 -3 1060.43 996.065 1 -10 0 -4 1577.11 2160.42 1 -10 0 -5 944.813 666.907 1 -10 0 -6-1875.59 1496.27 1 -10 0 -7-30.7815 882.022 1 -10 0 -8-3081.18 2039.90 1 -10 0 -9 682.616 178.439 1 -10 0 -10-32.7550 378.287 1 -10 -1 5 2215.23 2897.11 1 -10 -1 4 220.450 720.540 1 -10 -1 3 1284.60 1289.45 1 -10 -1 2 2552.91 3242.70 1 -10 -1 1-1030.94 1171.96 1 -10 -1 0 2434.94 1773.54 1 -10 -1 -1-625.681 839.406 1 -10 -1 -2 854.152 1512.08 1 -10 -1 -3-2595.40 2078.15 1 -10 -1 -4-483.440 877.185 1 -10 -1 -5-501.003 1197.59 1 -10 -1 -6 190.977 1111.25 1 -10 -1 -7 589.250 1016.84 1 -10 -1 -8-1481.91 1416.37 1 -10 -1 -9-566.709 864.980 1 -10 -1 -10-78.2458 314.845 1 -10 -1 -11-1415.25 1337.82 1 -10 -2 5-3542.35 3096.62 1 -10 -2 4 2044.91 2414.53 1 -10 -2 3-87.4369 1009.97 1 -10 -2 2 199.775 1643.62 1 -10 -2 1-547.408 1088.95 1 -10 -2 0 2948.78 2851.57 1 -10 -2 -1 3428.50 2750.05 1 -10 -2 -2 1053.68 1776.47 1 -10 -2 -3 2741.98 2186.13 1 -10 -2 -4 390.106 1271.70 1 -10 -2 -5 52.6859 1404.10 1 -10 -2 -6-4.85628 1266.53 1 -10 -3 5-5529.90 4059.71 1 -10 -3 4-6743.51 4375.50 1 -10 -3 3 651.656 1844.14 1 -10 -3 2-3357.05 2905.01 1 0 0 0 0.00 0.00 0 ; _shelx_hkl_checksum 46836 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Cl1 Cl 0.44840(15) 0.46056(13) 0.04646(5) 0.0928(3) Uani 1 1 d . . . . . S1A S 0.7559(3) 0.3038(2) 0.21688(9) 0.0883(6) Uani 0.6 1 d D . P A 1 C8A C 0.9748(6) 0.2602(6) 0.1279(2) 0.076(2) Uani 0.6 1 d D . P A 1 H8A H 1.0337 0.2171 0.0904 0.091 Uiso 0.6 1 calc R U P A 1 C9A C 1.0527(6) 0.3995(6) 0.1672(2) 0.074(2) Uani 0.6 1 d D . P A 1 H9A H 1.1650 0.4528 0.1594 0.088 Uiso 0.6 1 calc R U P A 1 C10A C 0.9407(5) 0.4438(7) 0.2178(2) 0.0738(19) Uani 0.6 1 d D . P A 1 H10A H 0.9611 0.5361 0.2483 0.089 Uiso 0.6 1 calc R U P A 1 S1B S 1.0059(3) 0.2734(3) 0.11177(12) 0.0742(8) Uani 0.4 1 d D . P A 2 C8B C 0.7529(8) 0.2827(7) 0.2010(3) 0.118(4) Uani 0.4 1 d D . P A 2 H8B H 0.6444 0.2655 0.2236 0.142 Uiso 0.4 1 calc R U P A 2 C9B C 0.8918(7) 0.4097(8) 0.2160(3) 0.096(4) Uani 0.4 1 d D . P A 2 H9B H 0.8965 0.4671 0.2569 0.116 Uiso 0.4 1 calc R U P A 2 C10B C 1.0175(9) 0.4446(7) 0.1686(2) 0.090(3) Uani 0.4 1 d D . P A 2 H10B H 1.0956 0.5436 0.1674 0.108 Uiso 0.4 1 calc R U P A 2 N1 N 0.6313(4) 0.0831(3) 0.05368(12) 0.0675(8) Uani 1 1 d . . . . . H1NA H 0.7161 0.0638 0.0232 0.081 Uiso 1 1 calc R U . . . H1NB H 0.5969 0.1987 0.0514 0.081 Uiso 1 1 calc R U . . . C1 C 0.7033(4) 0.0414(4) 0.12057(16) 0.0631(10) Uani 1 1 d . . . . . C2 C 0.7915(5) -0.1489(4) 0.12359(18) 0.0751(12) Uani 1 1 d . . . . . H2A H 0.7872 -0.2143 0.0820 0.090 Uiso 1 1 calc R U . . . H2B H 0.9133 -0.1487 0.1417 0.090 Uiso 1 1 calc R U . . . C3 C 0.6454(6) -0.2082(5) 0.17325(19) 0.0859(13) Uani 1 1 d . . . . . H3A H 0.5810 -0.3171 0.1601 0.103 Uiso 1 1 calc R U . . . H3B H 0.6898 -0.2188 0.2182 0.103 Uiso 1 1 calc R U . . . C4 C 0.5393(5) -0.0340(5) 0.16048(19) 0.0758(11) Uani 1 1 d . . . . . H4 H 0.5098 0.0354 0.2004 0.091 Uiso 1 1 calc R U . . . C5 C 0.3854(5) -0.0473(6) 0.1107(2) 0.1048(15) Uani 1 1 d . . . . . H5A H 0.3013 0.0525 0.1165 0.126 Uiso 1 1 calc R U . . . H5B H 0.3199 -0.1604 0.1164 0.126 Uiso 1 1 calc R U . . . C6 C 0.4720(5) -0.0396(5) 0.04225(18) 0.0923(13) Uani 1 1 d . . . . . H6A H 0.5106 -0.1589 0.0277 0.111 Uiso 1 1 calc R U . . . H6B H 0.3893 0.0111 0.0099 0.111 Uiso 1 1 calc R U . . . C7 C 0.8119(3) 0.1920(4) 0.14673(13) 0.0610(10) Uani 1 1 d 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 Cl1 0.1151(7) 0.0587(5) 0.1045(7) -0.0071(6) -0.0312(7) 0.0080(6) S1A 0.1000(13) 0.0783(11) 0.0866(12) -0.0243(10) -0.0022(11) 0.0161(11) C8A 0.089(4) 0.085(4) 0.052(3) -0.006(3) 0.017(3) -0.018(4) C9A 0.070(4) 0.042(3) 0.109(5) 0.016(3) -0.029(4) 0.004(3) C10A 0.074(4) 0.064(4) 0.083(4) -0.007(4) -0.010(4) -0.003(3) S1B 0.0806(16) 0.0716(15) 0.0705(14) -0.0012(13) 0.0075(13) -0.0124(14) C8B 0.151(9) 0.081(6) 0.122(9) 0.035(6) -0.041(8) -0.080(5) C9B 0.101(7) 0.082(6) 0.106(7) -0.055(5) -0.025(6) -0.012(6) C10B 0.114(7) 0.031(4) 0.124(7) 0.015(5) -0.053(6) 0.028(4) N1 0.0754(17) 0.0504(14) 0.0767(18) 0.0042(15) 0.0022(17) 0.0024(15) C1 0.067(2) 0.0502(16) 0.072(2) 0.0041(17) -0.0008(18) 0.0108(17) C2 0.078(2) 0.0536(19) 0.094(3) 0.0131(19) -0.005(2) 0.0121(18) C3 0.103(3) 0.059(2) 0.096(3) 0.008(2) -0.003(3) -0.007(2) C4 0.074(2) 0.065(2) 0.089(2) 0.007(2) 0.017(2) -0.005(2) C5 0.068(2) 0.087(3) 0.159(4) 0.029(3) 0.013(3) 0.009(3) C6 0.088(3) 0.067(2) 0.122(3) 0.010(3) -0.021(3) -0.008(2) C7 0.071(2) 0.0504(16) 0.0614(19) 0.0003(18) 0.0036(18) 0.0133(17) 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' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle C7 S1A C10A 96.2(2) C7 C8A C9A 118.0(4) C7 C8A H8A 121.0 C9A C8A H8A 121.0 C10A C9A C8A 110.5(4) C10A C9A H9A 124.7 C8A C9A H9A 124.7 C9A C10A S1A 109.4(4) C9A C10A H10A 125.3 S1A C10A H10A 125.3 C7 S1B C10B 91.3(2) C7 C8B C9B 105.4(5) C7 C8B H8B 127.3 C9B C8B H8B 127.3 C10B C9B C8B 117.8(5) C10B C9B H9B 121.1 C8B C9B H9B 121.1 C9B C10B S1B 107.5(4) C9B C10B H10B 126.3 S1B C10B H10B 126.3 C1 N1 C6 107.2(3) C1 N1 H1NA 110.3 C6 N1 H1NA 110.3 C1 N1 H1NB 110.3 C6 N1 H1NB 110.3 H1NA N1 H1NB 108.5 C7 C1 N1 111.5(3) C7 C1 C2 116.3(3) N1 C1 C2 112.0(3) C7 C1 C4 120.5(3) N1 C1 C4 105.6(3) C2 C1 C4 89.0(3) C3 C2 C1 89.4(3) C3 C2 H2A 113.7 C1 C2 H2A 113.8 C3 C2 H2B 113.8 C1 C2 H2B 113.7 H2A C2 H2B 111.0 C4 C3 C2 90.5(3) C4 C3 H3A 113.5 C2 C3 H3A 113.5 C4 C3 H3B 113.5 C2 C3 H3B 113.5 H3A C3 H3B 110.8 C5 C4 C3 116.1(3) C5 C4 C1 105.0(3) C3 C4 C1 89.4(3) C5 C4 H4 114.4 C3 C4 H4 114.4 C1 C4 H4 114.4 C4 C5 C6 106.6(3) C4 C5 H5A 110.4 C6 C5 H5A 110.4 C4 C5 H5B 110.4 C6 C5 H5B 110.4 H5A C5 H5B 108.6 N1 C6 C5 102.1(3) N1 C6 H6A 111.3 C5 C6 H6A 111.3 N1 C6 H6B 111.3 C5 C6 H6B 111.3 H6A C6 H6B 109.2 C8A C7 C1 131.5(3) C8B C7 C1 119.3(3) C8A C7 S1A 105.7(3) C1 C7 S1A 122.5(2) C8B C7 S1B 115.5(3) C1 C7 S1B 125.1(2) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance S1A C7 1.692(3) S1A C10A 1.709(4) C8A C7 1.357(4) C8A C9A 1.420(5) C8A H8A 0.9300 C9A C10A 1.354(5) C9A H9A 0.9300 C10A H10A 0.9300 S1B C7 1.705(3) S1B C10B 1.710(5) C8B C7 1.357(5) C8B C9B 1.420(5) C8B H8B 0.9300 C9B C10B 1.357(5) C9B H9B 0.9300 C10B H10B 0.9300 N1 C1 1.485(4) N1 C6 1.500(4) N1 H1NA 0.8900 N1 H1NB 0.8900 C1 C7 1.467(4) C1 C2 1.548(4) C1 C4 1.556(5) C2 C3 1.536(5) C2 H2A 0.9700 C2 H2B 0.9700 C3 C4 1.526(5) C3 H3A 0.9700 C3 H3B 0.9700 C4 C5 1.520(5) C4 H4 0.9800 C5 C6 1.525(5) C5 H5A 0.9700 C5 H5B 0.9700 C6 H6A 0.9700 C6 H6B 0.9700 loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A N1 H1NB Cl1 0.89 2.22 3.096(3) 167.0 . N1 H1NA Cl1 0.89 2.22 3.110(3) 173.1 4 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 C7 C8A C9A C10A -1.9(6) C8A C9A C10A S1A 3.7(5) C7 S1A C10A C9A -3.9(4) C7 C8B C9B C10B 15.8(8) C8B C9B C10B S1B -17.0(8) C7 S1B C10B C9B 10.0(5) C6 N1 C1 C7 -159.1(3) C6 N1 C1 C2 68.7(3) C6 N1 C1 C4 -26.6(3) C7 C1 C2 C3 114.1(3) N1 C1 C2 C3 -116.1(3) C4 C1 C2 C3 -9.7(3) C1 C2 C3 C4 9.9(3) C2 C3 C4 C5 96.7(3) C2 C3 C4 C1 -9.8(3) C7 C1 C4 C5 132.6(3) N1 C1 C4 C5 5.3(4) C2 C1 C4 C5 -107.2(3) C7 C1 C4 C3 -110.5(3) N1 C1 C4 C3 122.3(3) C2 C1 C4 C3 9.7(3) C3 C4 C5 C6 -79.6(4) C1 C4 C5 C6 17.3(4) C1 N1 C6 C5 36.9(3) C4 C5 C6 N1 -33.0(4) C9A C8A C7 C1 -174.8(4) C9A C8A C7 S1A -0.9(5) C9B C8B C7 C1 176.2(4) C9B C8B C7 S1B -7.0(6) N1 C1 C7 C8A -68.2(5) C2 C1 C7 C8A 61.8(5) C4 C1 C7 C8A 167.3(4) N1 C1 C7 C8B 114.8(4) C2 C1 C7 C8B -115.2(4) C4 C1 C7 C8B -9.7(5) N1 C1 C7 S1A 118.8(3) C2 C1 C7 S1A -111.2(3) C4 C1 C7 S1A -5.7(4) N1 C1 C7 S1B -61.7(3) C2 C1 C7 S1B 68.3(4) C4 C1 C7 S1B 173.8(3) C10A S1A C7 C8A 2.7(3) C10A S1A C7 C1 177.2(3) C10B S1B C7 C8B -1.5(4) C10B S1B C7 C1 175.0(3)