#------------------------------------------------------------------------------ #$Date: 2025-01-18 04:35:13 +0200 (Sat, 18 Jan 2025) $ #$Revision: 297375 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/02/33/2023357.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2023357 loop_ _publ_author_name 'Smirnov, Daniil E.' 'Morozov, Oleg S.' 'Afanasyeva, Ekaterina S.' 'Avdeev, Viktor V.' _publ_section_title ; Synthesis and crystal structures of 4,4′-methylenebis(2,6-diethylaniline) and 4,4′-methylenebis(3-chloro-2,6-diethylaniline) ; _journal_issue 2 _journal_name_full 'Acta Crystallographica Section E Crystallographic Communications' _journal_paper_doi 10.1107/S2056989025000234 _journal_volume 81 _journal_year 2025 _chemical_formula_iupac 'C21 H28 Cl2 N2' _chemical_formula_moiety 'C21 H28 Cl2 N2' _chemical_formula_sum 'C21 H28 Cl2 N2' _chemical_formula_weight 379.35 _chemical_name_common ; 4,4'-Methylenebis(3-chloro-2,6-diethylaniline) ; _chemical_name_systematic ; 4,4'-(MethAnediyl)bis(3-chloro-2,6-diethylaniline) ; _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-2019/3 _cell_angle_alpha 69.352(11) _cell_angle_beta 77.257(12) _cell_angle_gamma 87.670(8) _cell_formula_units_Z 2 _cell_length_a 8.993(3) _cell_length_b 9.6540(13) _cell_length_c 12.216(4) _cell_measurement_reflns_used 5979 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 30.985 _cell_measurement_theta_min 1.674 _cell_volume 967.2(5) _computing_cell_refinement ; XDS (Kabsch, 2010) ; _computing_data_collection ; Marccd (Doyle, 2011) ; _computing_data_reduction ; XDS (Kabsch, 2010) ; _computing_molecular_graphics ; Olex2 1.3 (Dolomanov et al., 2009) ; _computing_publication_material ; Olex2 1.3 (Dolomanov et al., 2009) ; _computing_structure_refinement ; SHELXL2019/3 (Sheldrick, 2015b) ; _computing_structure_solution ; SHELXT2014/5 (Sheldrick, 2015a) ; _diffrn_ambient_temperature 100(2) _diffrn_measured_fraction_theta_full 0.984 _diffrn_measured_fraction_theta_max 0.976 _diffrn_measurement_device_type 'Rayonix SX165 CCD' _diffrn_measurement_method \f _diffrn_radiation_type synchrotron _diffrn_radiation_wavelength 0.75268 _diffrn_reflns_av_R_equivalents 0.0530 _diffrn_reflns_av_unetI/netI 0.0506 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_number 17607 _diffrn_reflns_theta_full 26.847 _diffrn_reflns_theta_max 30.520 _diffrn_reflns_theta_min 2.390 _exptl_absorpt_coefficient_mu 0.398 _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_correction_T_min 0.001 _exptl_absorpt_correction_type empirical _exptl_absorpt_process_details ; [XDS (Kabsch, 2010)] ; _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 1.303 _exptl_crystal_description plate _exptl_crystal_F_000 404 _exptl_crystal_size_max 0.190 _exptl_crystal_size_mid 0.120 _exptl_crystal_size_min 0.050 _refine_diff_density_max 0.640 _refine_diff_density_min -0.558 _refine_ls_extinction_coef 0.090(12) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method ; SHELXL-2019/2 (Sheldrick 2015b) ; _refine_ls_goodness_of_fit_ref 1.050 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 243 _refine_ls_number_reflns 4844 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.050 _refine_ls_R_factor_all 0.0643 _refine_ls_R_factor_gt 0.0506 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0847P)^2^+0.2296P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1375 _refine_ls_wR_factor_ref 0.1471 _reflns_number_gt 3879 _reflns_number_total 4844 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file ny2009.cif _cod_data_source_block 2 _cod_database_code 2023357 _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 0.928 _shelx_estimated_absorpt_t_max 0.980 _shelx_hkl_file ; 0 0 -2 128291. 9881.05 1 0 0 2 123903. 6064.66 1 0 0 -5 110092. 5411.08 1 0 0 5 108903. 5357.96 1 0 0 -6 102379. 5041.57 1 0 0 6 101005. 4980.36 1 0 0 -7 355311. 17356. 1 0 0 7 351385. 17159. 1 0 0 -8 98106. 4842.95 1 0 0 8 102968. 5094.68 1 0 0 -9 5362.58 497.344 1 0 0 9 6203.23 502.655 1 0 0 -10 60704. 3053.11 1 0 0 10 62356. 3130.48 1 0 0 -11 27667. 1469.98 1 0 0 11 26871. 1415.70 1 0 0 -12 13464. 828.521 1 0 0 12 13383. 812.470 1 0 0 -13 2677.83 423.672 1 0 0 13 3128.17 453.348 1 0 0 -14 2272.52 369.977 1 0 0 14 2317.55 419.746 1 0 0 -15 88.89 331.870 1 0 0 15 -46.18 355.542 1 0 -1 14 904.16 357.621 1 0 1 -14 1439.95 306.697 1 0 -1 13 6920.32 510.277 1 0 1 -13 6570.43 539.838 1 0 -1 12 8571.59 584.757 1 0 1 -12 9154.73 632.332 1 0 -1 11 8982.67 619.514 1 0 1 -11 9680.13 648.152 1 0 -1 10 582.45 345.843 1 0 1 -10 945.38 379.792 1 0 -1 9 8968.81 652.078 1 0 1 -9 8333.71 595.034 1 0 -1 8 1011.32 338.337 1 0 1 -8 1308.31 340.184 1 0 -1 7 6508.08 498.152 1 0 1 -7 6563.50 503.233 1 0 -1 6 23014. 1214.78 1 0 1 -6 21975. 1158.20 1 0 -1 5 767.67 305.311 1 0 1 -5 847.69 306.120 1 0 -1 4 52333. 2608.54 1 0 1 -4 53580. 2667.43 1 0 -1 3 26374. 1366.05 1 0 1 -3 27217. 1404.16 1 0 -1 1 59215. 2914.55 1 0 -1 1 51882. 4041.57 1 0 -1 1 51120. 3987.29 1 0 1 -1 57563. 2831.41 1 0 -1 0 100323. 7727.48 1 0 1 0 97529. 7510.39 1 0 -1 -2 213395. 16374. 1 0 1 2 198730. 15254. 1 0 -1 -3 47875. 2424.94 1 0 -1 -3 48430. 3827.94 1 0 1 3 44584. 2267.90 1 0 1 3 47991. 3797.92 1 0 -1 -4 270900. 20797. 1 0 1 4 288914. 14122. 1 0 1 4 295496. 22667. 1 0 -1 -5 42356. 2139.72 1 0 -1 -5 51466. 4031.17 1 0 -1 -5 49850. 3914.55 1 0 1 5 43684. 2199.77 1 0 -1 -6 623.90 353.002 1 0 1 6 1103.35 373.672 1 0 -1 -7 4817.55 443.879 1 0 -1 -7 5831.40 664.203 1 0 -1 -7 5307.15 593.879 1 0 1 7 5874.13 462.009 1 0 -1 -8 7639.72 569.168 1 0 -1 -8 6878.75 659.815 1 0 -1 -8 8023.09 748.614 1 0 1 8 8315.23 603.002 1 0 -1 -9 41039. 2099.31 1 0 1 9 38303. 1967.67 1 0 -1 -10 110185. 5450.34 1 0 1 10 112944. 5570.43 1 0 -1 -11 543.65 432.679 1 0 1 11 629.56 417.205 1 0 -1 -12 -436.03 389.953 1 0 1 12 -2.44 389.722 1 0 -1 -13 2405.31 412.817 1 0 1 13 3039.26 434.642 1 0 -1 -14 372.29 346.305 1 0 1 14 3.81 402.886 1 0 -1 -15 1098.96 312.817 1 0 1 15 798.73 355.773 1 0 -2 13 -724.71 349.422 1 0 2 -13 -246.42 308.545 1 0 -2 12 520.90 328.291 1 0 2 -12 293.76 369.399 1 0 -2 11 385.22 348.268 1 0 2 -11 -0.56 378.175 1 0 -2 10 1041.57 372.863 1 0 2 -10 888.68 393.995 1 0 -2 9 15924. 896.766 1 0 2 -9 15266. 880.138 1 0 -2 8 5579.67 473.325 1 0 2 -8 5243.64 474.942 1 0 -2 7 1108.08 295.958 1 0 2 -7 1491.92 328.522 1 0 -2 6 1089.03 327.367 1 0 2 -6 1550.81 333.487 1 0 -2 5 1401.85 298.960 1 0 2 -5 1456.12 310.161 1 0 -2 4 65623. 3254.04 1 0 -2 4 65416. 5068.12 1 0 -2 4 71605. 5553.11 1 0 2 -4 67829. 3356.81 1 0 -2 3 36570. 1848.73 1 0 -2 3 26339. 2124.71 1 0 -2 3 28626. 2314.09 1 0 2 -3 39180. 1969.97 1 0 -2 2 303118. 14792. 1 0 -2 2 286374. 21975. 1 0 -2 2 296189. 22737. 1 0 -2 1 132448. 6494.22 1 0 -2 1 140993. 10897. 1 0 -2 1 140416. 10865. 1 0 2 -1 130369. 6399.53 1 0 -2 0 48707. 3894.92 1 0 -2 0 50254. 4046.19 1 0 2 0 56778. 2825.63 1 0 2 0 57402. 2860.27 1 0 -2 -1 39492. 2001.15 1 0 -2 -1 44688. 3596.99 1 0 2 1 41478. 2092.38 1 0 2 1 46732. 3759.81 1 0 -2 -2 71316. 3542.72 1 0 -2 -2 75785. 5951.50 1 0 2 2 66593. 3312.93 1 0 2 2 78199. 6153.57 1 0 -2 -3 21594. 1198.61 1 0 -2 -3 24619. 2165.12 1 0 2 3 20104. 1144.57 1 0 2 3 24284. 2139.72 1 0 -2 -4 136028. 6692.83 1 0 -2 -4 131062. 10147. 1 0 2 4 143533. 7048.49 1 0 2 4 134526. 10420. 1 0 -2 -5 40369. 2057.73 1 0 -2 -5 44376. 3547.34 1 0 -2 -5 43580. 3502.31 1 0 2 5 40808. 2085.45 1 0 -2 -6 64538. 3224.02 1 0 -2 -6 67933. 5337.18 1 0 -2 -6 70081. 5489.60 1 0 2 6 64180. 3203.23 1 0 -2 -7 56039. 2815.24 1 0 -2 -7 58337. 4614.31 1 0 -2 -7 60104. 4745.95 1 0 2 7 55485. 2793.30 1 0 -2 -8 8069.28 572.632 1 0 -2 -8 9057.73 996.881 1 0 -2 -8 8115.47 913.394 1 0 2 8 8312.92 592.494 1 0 -2 -9 103164. 5103.92 1 0 -2 -9 106593. 8280.59 1 0 -2 -9 105878. 8224.01 1 0 2 9 103522. 5135.10 1 0 -2 -10 6324.47 558.198 1 0 -2 -10 7198.61 856.466 1 0 -2 -10 7788.68 905.542 1 0 2 10 6040.41 530.831 1 0 -2 -11 1994.22 455.773 1 0 -2 -11 1301.38 403.233 1 0 -2 -11 1414.55 457.736 1 0 2 11 2073.90 422.170 1 0 -2 -12 9890.29 678.406 1 0 2 12 9120.08 641.339 1 0 -2 -13 5009.23 508.198 1 0 2 13 5081.98 516.050 1 0 -2 -14 5034.64 490.877 1 0 2 14 6016.16 552.078 1 0 -2 -15 1137.07 360.854 1 0 2 15 883.72 371.709 1 0 -3 13 756.12 316.281 1 0 3 -13 791.69 292.609 1 0 -3 12 4148.96 426.328 1 0 3 -12 3460.74 381.986 1 0 -3 11 1785.22 368.591 1 0 3 -11 2040.41 410.970 1 0 -3 10 6452.65 510.161 1 0 3 -10 9258.65 615.357 1 0 -3 9 65797. 3289.83 1 0 3 -9 64931. 3240.18 1 0 -3 8 22991. 1229.79 1 0 3 -8 21917. 1178.98 1 0 -3 7 11871. 718.129 1 0 3 -7 13106. 774.480 1 0 -3 6 22113. 1160.51 1 0 3 -6 22460. 1189.38 1 0 -3 5 103464. 5106.23 1 0 -3 5 92252. 7145.49 1 0 -3 5 96605. 7487.29 1 0 3 -5 101651. 5009.23 1 0 -3 4 70323. 3484.99 1 0 -3 4 66767. 5204.38 1 0 -3 4 64076. 4996.53 1 0 3 -4 70808. 3504.62 1 0 -3 3 12356. 721.362 1 0 -3 3 16501. 1493.07 1 0 -3 3 14584. 1300.23 1 0 3 -3 13072. 742.378 1 0 -3 2 35531. 1811.78 1 0 -3 2 35023. 2864.89 1 0 -3 2 34434. 2810.62 1 0 3 -2 34988. 1767.90 1 0 -3 1 230947. 11300. 1 0 -3 1 215473. 16605. 1 0 -3 1 214318. 16513. 1 0 3 -1 223787. 10941. 1 0 -3 0 427367. 32806. 1 0 -3 0 457390. 35104. 1 0 -3 -1 15912. 935.334 1 0 -3 -1 19757. 1935.33 1 0 -3 -1 17667. 1737.87 1 0 3 1 14850. 891.801 1 0 -3 -4 233025. 11408. 1 0 -3 -4 204157. 15762. 1 0 3 4 212586. 10413. 1 0 3 4 191339. 14769. 1 0 -3 -5 184295. 9041.56 1 0 -3 -5 182910. 14145. 1 0 -3 -5 184064. 14238. 1 0 3 5 192840. 9460.73 1 0 -3 -6 367321. 17945. 1 0 -3 -6 371940. 28580. 1 0 -3 -6 354388. 27229. 1 0 3 6 374480. 18291. 1 0 -3 -7 77864. 3874.13 1 0 -3 -7 66166. 5241.33 1 0 -3 -7 69561. 5506.92 1 0 3 7 81097. 4038.10 1 0 -3 -8 46905. 2381.06 1 0 -3 -8 43753. 3556.58 1 0 -3 -8 45658. 3703.23 1 0 3 8 47956. 2431.87 1 0 -3 -9 1116.86 396.420 1 0 -3 -9 477.14 625.865 1 0 -3 -9 1496.53 734.988 1 0 3 9 633.49 378.753 1 0 -3 -10 6660.50 590.184 1 0 -3 -10 5294.45 984.410 1 0 -3 -10 3957.27 866.974 1 0 3 10 6538.10 605.080 1 0 -3 -11 28684. 1531.18 1 0 -3 -11 25935. 2236.72 1 0 -3 -11 24272. 2092.38 1 0 3 11 30485. 1603.92 1 0 -3 -12 11778. 771.939 1 0 -3 -12 10535. 1116.28 1 0 -3 -12 9497.68 1091.34 1 0 3 12 11442. 774.018 1 0 -3 -13 2289.84 434.526 1 0 3 13 2207.85 436.836 1 0 -3 -14 3452.65 430.831 1 0 3 14 4270.20 492.263 1 0 -3 -15 1218.24 358.776 1 0 3 15 1245.96 364.896 1 0 -4 12 216.17 313.857 1 0 4 -12 -38.46 288.337 1 0 -4 11 204.04 358.776 1 0 4 -11 385.91 352.656 1 0 -4 10 5974.59 482.909 1 0 4 -10 5479.21 475.057 1 0 -4 9 7849.88 550.461 1 0 4 -9 8497.68 590.992 1 0 -4 8 419.51 355.427 1 0 4 -8 19.53 355.196 1 0 -4 7 -6.22 342.956 1 0 4 -7 -62.52 329.676 1 0 -4 6 24861. 1315.24 1 0 -4 6 27887. 2255.19 1 0 -4 6 26490. 2155.89 1 0 4 -6 26166. 1378.75 1 0 -4 5 14908. 826.443 1 0 4 -5 15497. 869.399 1 0 -4 4 3817.55 397.344 1 0 -4 4 4549.65 701.731 1 0 -4 4 3808.31 673.094 1 0 4 -4 3852.19 402.655 1 0 -4 3 1608.54 343.187 1 0 -4 3 2493.07 681.408 1 0 -4 3 2237.87 645.380 1 0 4 -3 1569.28 316.859 1 0 -4 2 17079. 956.235 1 0 -4 2 16674. 1534.64 1 0 -4 2 18002. 1680.14 1 0 4 -2 16074. 890.415 1 0 -4 1 18418. 1678.98 1 0 -4 1 19538. 1810.62 1 0 4 -1 12402. 737.644 1 0 4 -1 12390. 755.773 1 0 -4 0 375404. 28834. 1 0 -4 0 401270. 30820. 1 0 -4 -1 100162. 7851.03 1 0 -4 -1 98129. 7698.61 1 0 4 1 93614. 4632.79 1 0 4 1 94838. 4690.53 1 0 -4 -2 96882. 4790.99 1 0 -4 -2 108753. 8519.62 1 0 -4 -2 103811. 8146.64 1 0 4 2 93360. 4629.33 1 0 -4 -3 170092. 8356.80 1 0 -4 -3 184988. 14319. 1 0 -4 -3 182794. 14145. 1 0 4 3 165820. 8143.18 1 0 -4 -4 12344. 786.142 1 0 -4 -4 15012. 1536.95 1 0 -4 -4 13383. 1401.85 1 0 4 4 12021. 777.713 1 0 -4 -5 24757. 1344.11 1 0 -4 -5 26155. 2281.75 1 0 -4 -5 28314. 2490.76 1 0 4 5 24931. 1353.35 1 0 -4 -6 292148. 14296. 1 0 -4 -6 298268. 22968. 1 0 -4 -6 291224. 22436. 1 0 4 6 296189. 14492. 1 0 -4 -7 6755.19 563.279 1 0 -4 -7 8342.95 1127.37 1 0 -4 -7 6267.89 1037.07 1 0 4 7 6951.49 555.542 1 0 -4 -8 10104. 686.951 1 0 -4 -8 10610. 1214.78 1 0 -4 -8 11055. 1266.74 1 0 4 8 10804. 730.138 1 0 -4 -9 70866. 3553.11 1 0 -4 -9 77587. 6130.48 1 0 -4 -9 80889. 6398.38 1 0 4 9 70543. 3525.40 1 0 -4 -10 43822. 2259.81 1 0 -4 -10 43995. 3630.48 1 0 -4 -10 45346. 3735.56 1 0 4 10 41848. 2154.73 1 0 -4 -11 135.45 433.487 1 0 -4 -11 936.60 766.166 1 0 -4 -11 843.99 903.348 1 0 4 11 242.26 471.478 1 0 -4 -12 1099.65 417.436 1 0 4 12 1383.37 422.517 1 0 -4 -13 28672. 1525.40 1 0 -4 -13 26697. 2311.78 1 0 -4 -13 27078. 2351.04 1 0 4 13 29042. 1542.72 1 0 -4 -14 4959.58 480.023 1 0 -4 -14 5094.68 899.884 1 0 -4 -14 4829.09 947.228 1 0 4 14 4906.46 529.214 1 0 -4 -15 4959.58 464.549 1 0 4 15 5348.72 480.138 1 0 -4 -16 10385. 667.436 1 0 4 16 12552. 781.408 1 0 -5 11 1854.50 365.242 1 0 5 -11 1597.00 323.903 1 0 -5 10 295.27 350.346 1 0 5 -10 266.97 342.263 1 0 -5 9 -125.63 328.868 1 0 5 -9 261.20 346.997 1 0 -5 8 2642.03 371.940 1 0 5 -8 3086.60 396.651 1 0 -5 7 164.32 344.111 1 0 -5 7 -38.00 356.697 1 0 -5 7 -47.73 418.129 1 0 5 -7 287.76 344.803 1 0 -5 6 2638.57 396.420 1 0 -5 6 4160.50 635.219 1 0 -5 6 4482.67 731.293 1 0 5 -6 2957.27 385.681 1 0 -5 5 -20.97 365.473 1 0 -5 5 366.74 605.658 1 0 -5 5 -14.65 581.293 1 0 5 -5 -114.63 342.609 1 0 -5 4 14584. 1338.34 1 0 -5 4 13984. 1327.94 1 0 5 -4 9808.30 631.177 1 0 -5 3 42644. 2172.05 1 0 -5 3 36143. 2964.20 1 0 -5 3 33430. 2797.92 1 0 5 -3 42898. 2174.36 1 0 -5 2 9856.80 635.912 1 0 -5 2 11299. 1203.23 1 0 -5 2 11087. 1222.86 1 0 5 -2 10583. 665.357 1 0 5 -2 10188. 639.145 1 0 -5 1 224.02 615.473 1 0 -5 1 591.22 797.921 1 0 5 -1 124.83 349.653 1 0 5 -1 48.78 341.339 1 0 -5 0 8036.94 1106.58 1 0 -5 0 6931.86 1016.97 1 0 5 0 10665. 685.796 1 0 5 0 10912. 694.919 1 0 -5 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3411.08 1 2 -8 -3 35185. 3123.55 1 -2 8 2 86490. 4316.39 1 -2 8 2 89307. 4458.43 1 -2 8 1 94757. 4721.70 1 -2 8 1 95878. 4770.20 1 2 -8 -1 89365. 7131.63 1 2 -8 -1 97136. 7728.63 1 -2 8 0 919.98 438.799 1 -2 8 0 471.48 457.390 1 2 -8 0 1090.99 1014.66 1 2 -8 0 1030.48 1077.94 1 -2 8 -1 55577. 2819.86 1 -2 8 -1 55346. 2802.54 1 2 -8 1 59249. 4859.12 1 2 -8 1 59215. 4830.25 1 -2 8 -2 45404. 2333.72 1 -2 8 -2 45727. 2341.80 1 2 -8 2 44423. 3689.37 1 2 -8 2 46051. 3869.51 1 -2 8 -3 7737.87 589.722 1 -2 8 -3 7182.44 610.623 1 2 -8 3 6639.72 1058.20 1 2 -8 3 6558.88 1168.59 1 -2 8 -4 18291. 1034.99 1 -2 8 -4 17379. 986.373 1 2 -8 4 17079. 982.793 1 2 -8 4 19134. 1832.56 1 2 -8 4 18199. 1799.07 1 -2 8 -5 10990. 714.549 1 -2 8 -5 10905. 693.417 1 2 -8 5 10682. 723.787 1 2 -8 5 12379. 1352.19 1 2 -8 5 11594. 1450.35 1 -2 8 -6 6493.06 535.565 1 2 -8 6 6907.61 569.976 1 2 -8 6 7651.26 1169.74 1 2 -8 6 5429.56 1085.10 1 -2 8 -7 171.94 371.247 1 2 -8 7 787.76 355.196 1 2 -8 7 1311.78 960.854 1 2 -8 7 1195.15 985.449 1 -2 8 -8 7157.04 509.122 1 2 -8 8 6487.29 490.646 1 2 -8 8 7929.55 1170.90 1 2 -8 8 6657.04 1178.98 1 -2 7 14 4979.21 442.956 1 2 -7 -14 5005.77 446.189 1 -2 7 13 371.25 357.274 1 2 -7 -13 199.65 344.457 1 2 -7 -13 496.07 988.567 1 2 -7 -13 748.15 1151.04 1 -2 7 12 664.66 374.018 1 2 -7 -12 821.94 372.055 1 2 -7 -12 998.15 913.971 1 2 -7 -12 1183.60 1103.00 1 -2 7 11 13626. 842.147 1 2 -7 -11 13811. 839.722 1 2 -7 -11 14192. 1530.02 1 2 -7 -11 14642. 1757.50 1 -2 7 10 1884.52 416.397 1 2 -7 -10 1793.30 442.840 1 2 -7 -10 1907.62 955.080 1 2 -7 -10 1859.12 1148.50 1 -2 7 9 3392.61 532.909 1 2 -7 -9 3633.95 500.461 1 2 -7 -9 2103.92 1169.74 1 2 -7 -9 1995.38 1048.73 1 -2 7 8 984.99 448.383 1 2 -7 -8 1097.46 483.256 1 2 -7 -8 516.86 1104.27 1 2 -7 -8 -468.82 1125.98 1 -2 7 7 4702.07 536.951 1 -2 7 7 4352.19 552.078 1 2 -7 -7 3722.86 529.330 1 2 -7 -7 3355.65 1207.85 1 2 -7 -7 1978.06 1205.54 1 -2 7 6 34584. 1832.56 1 -2 7 6 36663. 1941.11 1 2 -7 -6 35508. 3116.62 1 2 -7 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2845.26 1 -4 8 -2 1687.07 443.764 1 -4 8 -2 2282.91 464.203 1 4 -8 2 2163.97 532.101 1 4 -8 2 1287.53 976.096 1 4 -8 2 541.22 1172.05 1 -4 8 -3 555.31 413.510 1 4 -8 3 639.14 422.979 1 4 -8 3 203.35 1110.39 1 4 -8 3 1162.82 871.708 1 -4 8 -4 321.02 400.346 1 4 -8 4 495.96 462.933 1 4 -8 4 1214.78 963.048 1 4 -8 4 1070.09 1054.96 1 -4 8 -5 2824.48 459.815 1 4 -8 5 3652.42 492.840 1 4 -8 5 2505.77 986.489 1 4 -8 5 2135.10 1035.10 1 -4 8 -6 446.30 387.759 1 4 -8 6 402.89 421.016 1 4 -8 6 343.30 1003.35 1 4 -8 6 -81.03 1004.16 1 -4 8 -7 350.35 384.757 1 4 -8 7 1673.21 386.720 1 4 -8 7 268.48 912.239 1 4 -8 7 560.62 1272.52 1 -4 8 -8 207.97 374.480 1 4 -8 8 -88.93 352.309 1 4 -8 8 345.03 841.223 1 4 -8 8 -23.21 913.740 1 -4 7 13 29272. 1509.24 1 -4 7 13 28949. 1502.31 1 -4 7 12 13545. 814.087 1 -4 7 12 14273. 835.680 1 4 -7 -12 13430. 1711.31 1 4 -7 -12 14469. 1766.74 1 -4 7 11 1361.43 390.531 1 -4 7 11 1883.37 395.727 1 4 -7 -11 1296.77 1154.27 1 4 -7 -11 359.35 1069.05 1 -4 7 10 30589. 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6 13 4095.84 423.441 1 -4 6 13 4098.15 398.960 1 4 -6 -13 3799.07 1655.89 1 4 -6 -13 4458.43 1346.42 1 -4 6 12 18430. 1019.86 1 -4 6 12 17113. 957.851 1 4 -6 -12 17794. 1926.10 1 4 -6 -12 17171. 1806.00 1 -4 6 11 3284.06 442.840 1 -4 6 11 3001.15 405.773 1 4 -6 -11 2042.72 1044.69 1 4 -6 -11 2027.71 1025.86 1 -4 6 10 1762.12 367.321 1 -4 6 10 2066.97 397.806 1 4 -6 -10 3621.24 1030.60 1 4 -6 -10 3547.34 1139.03 1 -4 6 9 2476.90 415.242 1 -4 6 9 2585.45 430.946 1 4 -6 -9 2840.64 1057.04 1 4 -6 -9 2857.96 1068.01 1 -4 6 8 42633. 2187.06 1 -4 6 8 44942. 2293.30 1 4 -6 -8 52055. 4311.77 1 4 -6 -8 50173. 4174.36 1 -4 6 7 1914.55 450.000 1 -4 6 7 2002.31 436.374 1 4 -6 -7 880.72 938.452 1 4 -6 -7 591.45 1139.03 1 -4 6 6 5681.29 550.923 1 -4 6 6 5066.97 505.427 1 -4 6 6 6364.89 1117.32 1 4 -6 -6 6310.62 1199.77 1 -4 6 5 1349.88 465.704 1 -4 6 5 961.66 445.612 1 -4 6 5 3390.30 1241.34 1 4 -6 -5 1334.87 1236.72 1 -4 6 4 1352.19 400.577 1 -4 6 4 1665.13 416.397 1 -4 6 4 1021.71 869.976 1 4 -6 -4 888.68 1071.71 1 -4 6 3 332.10 448.037 1 -4 6 3 439.95 435.912 1 -4 6 3 289.49 1045.50 1 4 -6 -3 1088.34 1025.17 1 -4 6 2 16328. 984.641 1 -4 6 2 16513. 1010.16 1 -4 6 2 17055. 1774.83 1 4 -6 -2 16513. 1743.65 1 -4 6 1 12575. 828.637 1 -4 6 1 11204. 751.385 1 -4 6 1 8368.35 1202.08 1 4 -6 -1 5757.50 1176.67 1 -4 6 0 785.10 496.766 1 -4 6 0 -212.59 1034.87 1 4 -6 0 828.64 440.877 1 4 -6 0 1854.50 916.512 1 -4 6 -1 10691. 787.297 1 -4 6 -1 12125. 1530.02 1 4 -6 1 10741. 812.586 1 4 -6 1 11848. 1461.89 1 -4 6 -2 52113. 2665.12 1 -4 6 -2 41178. 3486.14 1 4 -6 2 41640. 2161.66 1 4 -6 2 38510. 3348.73 1 -4 6 -3 14954. 904.156 1 -4 6 -3 15982. 1733.25 1 4 -6 3 15185. 981.870 1 4 -6 3 16386. 1789.84 1 -4 6 -4 277.48 431.639 1 -4 6 -4 126.67 947.805 1 4 -6 4 152.19 483.949 1 4 -6 4 -370.32 908.775 1 -4 6 -5 4159.35 528.637 1 -4 6 -5 4737.87 1072.98 1 4 -6 5 3434.18 496.304 1 4 -6 5 3662.81 955.888 1 -4 6 -6 16374. 986.604 1 -4 6 -6 17933. 1821.01 1 4 -6 6 17067. 1031.06 1 4 -6 6 18868. 1861.43 1 -4 6 -7 66143. 3318.70 1 -4 6 -7 69226. 5536.95 1 4 -6 7 66478. 3326.79 1 4 -6 7 73718. 5885.68 1 -4 6 -8 9855.65 685.450 1 4 -6 8 10721. 720.323 1 4 -6 8 11299. 1272.52 1 4 -6 8 12356. 1311.78 1 -4 6 -9 4095.84 461.085 1 4 -6 9 4489.60 480.254 1 4 -6 9 4452.65 951.731 1 4 -6 9 4399.53 1089.72 1 -4 6 -10 9176.67 616.628 1 4 -6 10 9413.39 630.022 1 4 -6 10 5988.45 1066.40 1 4 -6 10 7658.19 1182.45 1 -4 5 13 7742.49 534.988 1 -4 5 13 7516.16 525.288 1 4 -5 -13 7709.00 1606.23 1 4 -5 -13 7613.16 1733.25 1 -4 5 12 265.59 340.646 1 -4 5 12 453.00 356.582 1 4 -5 -12 671.36 1059.12 1 4 -5 -12 -420.21 1044.11 1 -4 5 11 21236. 1150.58 1 -4 5 11 21617. 1169.74 1 4 -5 -11 18857. 1908.77 1 4 -5 -11 17702. 1833.72 1 -4 5 10 33591. 1735.56 1 -4 5 10 35127. 1812.93 1 4 -5 -10 31570. 2784.06 1 4 -5 -10 31917. 2833.72 1 -4 5 9 286.60 380.485 1 -4 5 9 -384.76 397.575 1 4 -5 -9 526.79 1068.01 1 4 -5 -9 516.17 961.315 1 -4 5 8 1338.34 398.037 1 -4 5 8 1890.30 367.205 1 4 -5 -8 853.58 1022.29 1 4 -5 -8 507.62 1060.05 1 -4 5 7 72748. 3646.65 1 -4 5 7 75035. 3757.50 1 -4 5 7 74261. 6019.62 1 4 -5 -7 75543. 6084.29 1 -4 5 6 23834. 1315.24 1 -4 5 6 23106. 1273.67 1 -4 5 6 20670. 2040.41 1 4 -5 -6 21085. 2087.76 1 -4 5 5 7403.00 596.651 1 -4 5 5 8054.26 593.648 1 -4 5 5 7435.33 1146.88 1 4 -5 -5 8112.00 1326.79 1 -4 5 4 71836. 3605.08 1 -4 5 4 69942. 3509.23 1 -4 5 4 73383. 5897.22 1 4 -5 -4 68545. 5526.55 1 -4 5 3 37494. 1950.34 1 -4 5 3 37298. 1935.33 1 -4 5 3 36143. 3120.09 1 4 -5 -3 33753. 2946.88 1 -4 5 2 67090. 3377.59 1 -4 5 2 68660. 3449.19 1 -4 5 2 65531. 5270.20 1 4 -5 -2 65289. 5300.23 1 -4 5 1 767.09 441.685 1 -4 5 1 302.42 412.009 1 -4 5 1 1066.97 1005.89 1 4 -5 -1 421.48 430.023 1 4 -5 -1 851.96 857.851 1 -4 5 0 36559. 1920.32 1 -4 5 0 39619. 3360.27 1 4 -5 0 36513. 1918.01 1 4 -5 0 40404. 3421.47 1 -4 5 -1 21270. 1214.78 1 -4 5 -1 17079. 1790.99 1 4 -5 1 20185. 1137.99 1 4 -5 1 17448. 1817.55 1 -4 5 -2 87194. 4348.73 1 -4 5 -2 88580. 7034.63 1 4 -5 2 85750. 4281.75 1 4 -5 2 82021. 6527.71 1 -4 5 -3 423.79 423.094 1 -4 5 -3 11.95 946.419 1 4 -5 3 602.42 428.637 1 4 -5 3 -427.94 710.969 1 -4 5 -4 53048. 2711.31 1 -4 5 -4 50496. 4176.67 1 4 -5 4 52552. 2690.53 1 4 -5 4 52148. 4258.66 1 -4 5 -5 27610. 1505.77 1 -4 5 -5 28626. 2527.71 1 4 -5 5 27644. 1527.71 1 4 -5 5 27979. 2489.60 1 -4 5 -6 5016.16 515.819 1 -4 5 -6 4024.25 1041.92 1 4 -5 6 5982.67 564.434 1 4 -5 6 2394.92 997.805 1 -4 5 -7 18626. 1070.09 1 -4 5 -7 18718. 1797.92 1 4 -5 7 18499. 1106.23 1 4 -5 7 16697. 1637.41 1 -4 5 -8 46.05 405.889 1 -4 5 -8 1314.09 950.692 1 4 -5 8 65.96 418.129 1 4 -5 8 882.91 772.517 1 -4 5 -9 7661.66 604.156 1 4 -5 9 6859.12 578.175 1 4 -5 9 7038.10 952.770 1 4 -5 9 7040.41 960.507 1 -4 5 -10 386.37 387.413 1 4 -5 10 -388.68 389.261 1 4 -5 10 -350.23 768.244 1 4 -5 10 -308.78 744.688 1 -4 5 -11 -161.55 348.614 1 4 -5 11 -32.64 348.960 1 4 -5 11 135.57 745.496 1 4 -5 11 99.27 679.561 1 -4 4 13 14700. 861.316 1 -4 4 13 13349. 790.299 1 4 -4 -13 11139. 1511.55 1 4 -4 -13 10947. 1377.60 1 -4 4 12 15300. 877.944 1 -4 4 12 16397. 945.265 1 4 -4 -12 18014. 1878.75 1 4 -4 -12 16547. 1901.85 1 -4 4 11 348.50 313.741 1 -4 4 11 71.69 337.413 1 4 -4 -11 -142.84 978.059 1 4 -4 -11 488.45 931.754 1 -4 4 10 10577. 678.521 1 -4 4 10 10416. 673.209 1 4 -4 -10 12090. 1483.83 1 4 -4 -10 10461. 1308.31 1 -4 4 9 40162. 2054.27 1 -4 4 9 37702. 1926.10 1 4 -4 -9 44596. 3717.09 1 4 -4 -9 44503. 3712.47 1 -4 4 8 38591. 1988.45 1 -4 4 8 37921. 1956.12 1 -4 4 8 39099. 3295.61 1 4 -4 -8 38660. 3295.61 1 -4 4 7 18291. 1037.76 1 -4 4 7 17691. 977.366 1 -4 4 7 18822. 1867.20 1 4 -4 -7 16905. 1790.99 1 -4 4 6 4265.58 456.004 1 -4 4 6 4080.83 477.367 1 -4 4 6 5036.95 1191.68 1 4 -4 -6 4712.47 975.057 1 -4 4 5 66824. 3349.88 1 -4 4 5 67483. 3376.44 1 -4 4 5 76651. 6130.48 1 4 -4 -5 72136. 5794.45 1 -4 4 4 18314. 1056.00 1 -4 4 4 17644. 988.336 1 -4 4 4 23545. 2233.25 1 4 -4 -4 22679. 2112.01 1 -4 4 3 782.22 407.967 1 -4 4 3 446.65 394.803 1 -4 4 3 455.31 769.052 1 4 -4 -3 232.10 828.290 1 -4 4 2 77563. 3875.28 1 -4 4 2 79457. 3951.50 1 -4 4 2 81847. 6513.85 1 4 -4 -2 82933. 6596.99 1 -4 4 1 1166.28 421.362 1 -4 4 1 2113.16 965.819 1 4 -4 -1 1797.92 475.635 1 4 -4 -1 435.45 907.274 1 -4 4 0 234.41 419.053 1 -4 4 0 91.36 805.888 1 4 -4 0 331.87 430.946 1 4 -4 0 240.30 803.463 1 -4 4 -1 14792. 917.205 1 -4 4 -1 15208. 1659.35 1 4 -4 1 14607. 901.731 1 4 -4 1 16582. 1676.67 1 -4 4 -2 15739. 954.156 1 -4 4 -2 18926. 1899.54 1 4 -4 2 16351. 981.870 1 4 -4 2 17864. 1717.09 1 -4 4 -3 375.40 423.672 1 -4 4 -3 698.15 904.041 1 4 -4 3 228.87 433.025 1 4 -4 3 635.91 866.627 1 -4 4 -4 -62.32 442.609 1 -4 4 -4 619.98 874.249 1 4 -4 4 466.05 416.281 1 4 -4 4 643.88 759.930 1 -4 4 -5 -131.29 415.358 1 -4 4 -5 718.13 802.771 1 4 -4 5 -181.99 424.595 1 4 -4 5 -124.13 926.327 1 -4 4 -6 5666.28 556.235 1 -4 4 -6 6518.47 1061.78 1 4 -4 6 4808.31 592.725 1 4 -4 6 7260.96 1160.51 1 -4 4 -7 2821.01 475.057 1 -4 4 -7 3968.82 924.248 1 4 -4 7 2057.73 472.170 1 4 -4 7 3645.49 863.740 1 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932.678 1 5 -5 -2 2102.77 1011.32 1 -5 5 1 37483. 1959.58 1 -5 5 1 40878. 3458.43 1 5 -5 -1 37252. 1959.58 1 5 -5 -1 37148. 3163.97 1 -5 5 0 71547. 3596.99 1 -5 5 0 70369. 5646.65 1 5 -5 0 72806. 3655.89 1 5 -5 0 69007. 5571.59 1 -5 5 -1 18083. 1071.71 1 -5 5 -1 16189. 1709.01 1 5 -5 1 18141. 1082.22 1 5 -5 1 18141. 1841.80 1 -5 5 -2 822.29 462.124 1 -5 5 -2 862.35 894.803 1 5 -5 2 1476.90 498.267 1 5 -5 2 1610.85 838.105 1 -5 5 -3 11778. 781.523 1 -5 5 -3 10087. 1384.53 1 5 -5 3 12656. 889.837 1 5 -5 3 11871. 1498.84 1 -5 5 -4 62690. 3177.83 1 -5 5 -4 63995. 5188.22 1 5 -5 4 63175. 3198.61 1 5 -5 4 62529. 5057.73 1 -5 5 -5 9173.20 725.057 1 -5 5 -5 7486.14 1155.89 1 5 -5 5 9691.68 723.440 1 5 -5 5 7600.45 1067.90 1 -5 5 -6 887.30 449.191 1 -5 5 -6 173.90 743.879 1 5 -5 6 216.05 522.979 1 5 -5 6 370.44 843.186 1 -5 5 -7 65011. 3272.51 1 -5 5 -7 67483. 5392.60 1 5 -5 7 62413. 3140.87 1 5 -5 7 68510. 5495.38 1 -5 5 -8 2446.88 462.817 1 -5 5 -8 2324.48 904.618 1 5 -5 8 2028.87 461.662 1 5 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946.073 1 -6 10 2 15901. 892.031 1 6 -10 -2 17979. 1779.44 1 6 -10 -2 15427. 1766.74 1 -6 10 1 7696.30 588.568 1 -6 10 1 7252.88 560.392 1 6 -10 -1 6916.85 1162.82 1 6 -10 -1 5475.75 1121.02 1 -6 10 0 2790.99 386.836 1 -6 10 0 2787.53 419.053 1 6 -10 0 2357.97 1011.89 1 6 -10 0 2332.56 1013.39 1 -6 10 -1 312.24 379.907 1 -6 10 -1 444.11 362.586 1 6 -10 1 449.54 1026.21 1 6 -10 1 -486.60 1240.18 1 -6 10 -2 3983.83 427.367 1 -6 10 -2 4556.58 428.522 1 6 -10 2 3740.18 1172.05 1 6 -10 2 5667.43 1428.41 1 -6 9 9 572.86 298.845 1 -6 9 9 458.31 330.600 1 6 -9 -9 1072.98 1275.98 1 6 -9 -9 -332.45 1249.42 1 -6 9 8 1157.04 365.358 1 -6 9 8 925.52 343.764 1 6 -9 -8 -567.67 982.909 1 6 -9 -8 576.44 1058.08 1 -6 9 7 661.43 363.510 1 -6 9 7 839.72 372.286 1 6 -9 -7 290.88 1016.28 1 6 -9 -7 111.51 1242.49 1 6 -9 -6 2084.29 1123.90 1 6 -9 -6 2951.50 1125.40 1 -6 9 5 975.40 402.540 1 -6 9 5 1666.28 413.625 1 6 -9 -5 425.52 1176.67 1 6 -9 -5 327.60 1255.20 1 -6 9 4 10373. 717.667 1 -6 9 4 11085. 734.988 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1 -6 8 10 1703.23 342.609 1 -6 8 10 1347.57 327.598 1 6 -8 -10 1046.77 1088.57 1 6 -8 -10 1408.77 1554.27 1 -6 8 9 523.56 323.441 1 -6 8 9 241.22 340.415 1 6 -8 -9 29.19 977.713 1 6 -8 -9 299.65 1046.19 1 -6 8 8 14446. 855.195 1 -6 8 8 14965. 867.436 1 6 -8 -8 13487. 1658.20 1 6 -8 -8 16016. 1741.34 1 -6 8 7 8912.23 635.912 1 -6 8 7 8740.18 612.586 1 6 -8 -7 4989.60 1323.32 1 6 -8 -7 6426.09 1340.65 1 -6 8 6 1903.00 432.910 1 -6 8 6 1958.43 422.748 1 -6 8 6 2048.50 1071.94 1 6 -8 -6 1577.37 1152.31 1 -6 8 5 22714. 1254.04 1 -6 8 5 21744. 1206.70 1 -6 8 5 21640. 2159.35 1 6 -8 -5 25162. 2531.18 1 -6 8 4 14607. 910.738 1 -6 8 4 14642. 893.186 1 -6 8 4 14723. 1639.72 1 6 -8 -4 14896. 1875.29 1 -6 8 3 298.96 427.829 1 -6 8 3 835.22 447.344 1 -6 8 3 92.61 1130.02 1 6 -8 -3 248.73 1125.86 1 -6 8 2 5517.32 562.702 1 -6 8 2 4352.19 512.471 1 -6 8 2 3652.42 1187.07 1 6 -8 -2 3256.35 1089.72 1 -6 8 1 9991.91 723.440 1 -6 8 1 9920.31 713.625 1 -6 8 1 13395. 1590.07 1 6 -8 -1 10015. 1416.86 1 -6 8 0 34388. 1808.31 1 -6 8 0 32829. 1724.02 1 -6 8 0 33915. 3046.19 1 6 -8 0 33083. 2908.77 1 -6 8 -1 4930.71 530.254 1 -6 8 -1 5043.88 551.501 1 -6 8 -1 4871.82 1113.74 1 6 -8 1 5129.33 541.108 1 6 -8 1 3793.30 1092.61 1 -6 8 -2 -347.34 413.164 1 -6 8 -2 424.94 1064.55 1 6 -8 2 538.22 434.642 1 6 -8 2 1549.65 1044.57 1 -6 8 -3 17194. 1003.35 1 -6 8 -3 22194. 2178.98 1 6 -8 3 18557. 1078.17 1 6 -8 3 21871. 2161.66 1 -6 8 -4 2971.13 447.344 1 -6 8 -4 3427.25 1212.47 1 6 -8 4 3211.31 442.494 1 6 -8 4 1963.05 1048.15 1 -6 8 -5 2885.68 459.237 1 -6 8 -5 2151.27 1143.30 1 6 -8 5 2909.93 469.284 1 6 -8 5 3016.16 1035.45 1 -6 8 -6 581.52 378.291 1 -6 8 -6 1924.94 1235.56 1 6 -8 6 564.32 391.570 1 6 -8 6 200.23 1005.54 1 -6 8 -7 527.83 359.584 1 6 -8 7 721.36 356.582 1 6 -8 7 1233.26 1189.38 1 6 -8 7 663.51 953.001 1 -6 7 11 658.43 304.965 1 -6 7 11 390.65 315.589 1 6 -7 -11 902.77 1680.14 1 6 -7 -11 27.74 1349.88 1 -6 7 10 2787.53 374.942 1 -6 7 10 2117.78 362.240 1 6 -7 -10 3304.85 1233.26 1 6 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456.120 1 6 -7 0 153.12 1127.25 1 -6 7 -1 184.41 428.752 1 -6 7 -1 652.89 938.221 1 6 -7 1 131.64 500.808 1 6 -7 1 1272.52 998.498 1 -6 7 -2 6885.67 612.586 1 -6 7 -2 5658.19 1187.07 1 6 -7 2 6263.27 586.374 1 6 -7 2 5904.15 1174.36 1 -6 7 -3 1809.47 460.392 1 -6 7 -3 2252.88 979.791 1 6 -7 3 1833.72 489.722 1 6 -7 3 1412.24 1083.02 1 -6 7 -4 1329.10 439.261 1 -6 7 -4 714.20 886.951 1 6 -7 4 817.78 475.288 1 6 -7 4 -30.94 964.202 1 -6 7 -5 1390.30 435.334 1 -6 7 -5 904.85 949.306 1 6 -7 5 1802.54 458.776 1 6 -7 5 1683.60 1011.78 1 -6 7 -6 -88.07 419.746 1 -6 7 -6 739.72 1055.31 1 6 -7 6 411.43 435.103 1 6 -7 6 -226.10 1016.28 1 -6 7 -7 2508.08 426.443 1 -6 7 -7 2696.30 1076.44 1 6 -7 7 2286.37 443.649 1 6 -7 7 2034.64 1025.52 1 -6 7 -8 487.18 364.665 1 -6 7 -8 945.96 2460.74 1 6 -7 8 358.54 365.589 1 6 -7 8 -6.47 849.537 1 -6 6 11 855.20 300.462 1 -6 6 11 927.48 312.586 1 6 -6 -11 -850.11 1857.97 1 6 -6 -11 573.67 1371.82 1 -6 6 10 3648.96 396.189 1 -6 6 10 3862.58 406.120 1 6 -6 -10 5205.54 1277.14 1 6 -6 -10 5177.82 1254.04 1 -6 6 9 759.35 359.930 1 -6 6 9 660.28 359.584 1 6 -6 -9 909.24 1150.81 1 6 -6 -9 -467.90 1091.80 1 -6 6 8 -210.39 349.307 1 -6 6 8 137.30 340.415 1 -6 6 8 543.65 877.597 1 6 -6 -8 319.98 1064.09 1 -6 6 7 -78.81 368.013 1 -6 6 7 -174.60 343.187 1 -6 6 7 336.95 1074.94 1 6 -6 -7 -18.81 924.248 1 -6 6 6 4759.81 493.648 1 -6 6 6 4013.85 450.692 1 -6 6 6 6232.10 1281.75 1 6 -6 -6 6959.58 1355.66 1 -6 6 5 859.24 413.279 1 -6 6 5 568.36 403.348 1 -6 6 5 765.82 939.029 1 6 -6 -5 170.90 980.831 1 -6 6 4 1041.57 443.418 1 -6 6 4 1230.95 410.161 1 -6 6 4 2019.63 1065.13 1 6 -6 -4 3285.22 1214.78 1 -6 6 3 -586.03 447.575 1 -6 6 3 130.37 427.020 1 -6 6 3 193.65 1114.55 1 6 -6 -3 371.36 1135.56 1 -6 6 2 13487. 880.600 1 -6 6 2 12737. 848.729 1 -6 6 2 12275. 1489.61 1 6 -6 -2 12633. 1541.57 1 -6 6 1 673.56 455.196 1 -6 6 1 -61.81 456.928 1 -6 6 1 1254.04 1043.99 1 6 -6 -1 647.23 418.013 1 6 -6 -1 909.81 971.362 1 -6 6 0 12598. 848.036 1 -6 6 0 14757. 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3225.17 575.404 1 6 -4 6 1760.97 920.322 1 -6 4 -7 6039.25 590.531 1 -6 4 -7 7284.06 1123.56 1 6 -4 7 6009.23 585.219 1 6 -4 7 6774.82 1082.79 1 -6 4 -8 -332.91 430.369 1 -6 4 -8 -116.17 780.715 1 6 -4 8 -66.63 438.337 1 6 -4 8 -642.03 801.269 1 -6 4 -9 1377.60 442.956 1 -6 4 -9 1900.69 851.269 1 6 -4 9 1668.59 451.732 1 6 -4 9 1581.98 921.015 1 -6 4 -10 -125.17 415.011 1 -6 4 -10 584.76 856.928 1 6 -4 10 219.75 401.154 1 6 -4 10 -142.84 895.842 1 -6 4 -11 1665.13 385.796 1 -6 4 -11 2033.49 1241.34 1 6 -4 11 1790.99 388.568 1 6 -4 11 1031.29 875.403 1 -6 4 -12 78.80 326.790 1 -6 4 -12 552.77 1951.50 1 6 -4 12 -35.73 319.284 1 6 -4 12 -517.90 879.791 1 6 -3 -12 1830.25 1147.23 1 6 -3 -12 2812.93 1176.67 1 -6 3 11 606.00 427.482 1 -6 3 11 48.93 381.062 1 6 -3 -11 693.76 1260.97 1 6 -3 -11 677.25 1086.60 1 -6 3 10 1948.04 406.466 1 -6 3 10 1967.67 373.325 1 6 -3 -10 1581.98 1126.21 1 6 -3 -10 1508.08 944.341 1 -6 3 9 377.71 300.577 1 -6 3 9 705.43 329.214 1 -6 3 9 -763.97 853.001 1 6 -3 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415.127 1 -6 3 -12 3404.15 1249.42 1 6 -3 12 3581.98 431.293 1 6 -3 12 3638.56 967.089 1 -6 2 11 -108.96 334.180 1 -6 2 11 -168.01 276.443 1 6 -2 -11 570.90 1032.68 1 6 -2 -11 214.55 966.858 1 6 -2 -10 2348.73 962.355 1 6 -2 -10 2034.64 1090.30 1 -6 2 9 11439. 1329.10 1 6 -2 -9 11801. 1340.65 1 -6 2 8 5454.96 1006.23 1 6 -2 -8 5560.04 1047.57 1 -6 2 7 6287.52 456.004 1 -6 2 7 6023.09 435.103 1 -6 2 7 7100.46 1051.62 1 6 -2 -7 7898.38 1173.21 1 -6 2 6 866.40 317.090 1 -6 2 6 1181.29 318.822 1 -6 2 6 2316.39 975.288 1 6 -2 -6 2211.31 1012.01 1 -6 2 5 77448. 3846.42 1 -6 2 5 75693. 3748.26 1 -6 2 5 77621. 6178.98 1 6 -2 -5 92633. 7384.52 1 -6 2 4 20924. 1129.44 1 -6 2 4 21721. 1167.44 1 -6 2 4 18868. 1960.74 1 6 -2 -4 27102. 2702.08 1 -6 2 3 461.43 321.362 1 -6 2 3 271.48 295.727 1 -6 2 3 1438.80 864.087 1 6 -2 -3 683.14 1121.94 1 -6 2 2 129561. 6381.06 1 -6 2 2 139954. 10954. 1 6 -2 -2 128868. 6342.95 1 6 -2 -2 154157. 12067. 1 -6 2 1 91536. 4534.64 1 -6 2 1 95924. 7569.28 1 6 -2 -1 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7424.94 1067.20 1 -6 0 5 40658. 2031.18 1 -6 0 5 38337. 1911.08 1 -6 0 5 37148. 3163.97 1 6 0 -5 37621. 3200.92 1 -6 0 4 46432. 2316.39 1 -6 0 4 44630. 2219.40 1 -6 0 4 42413. 3525.40 1 6 0 -4 42298. 3548.50 1 -6 0 3 6451.49 427.944 1 -6 0 3 6423.78 422.286 1 -6 0 3 7312.93 1190.53 1 6 0 -3 6564.66 1132.91 1 -6 0 2 33891. 1725.17 1 -6 0 2 33349. 1688.22 1 -6 0 2 36617. 3062.35 1 6 0 -2 34330. 1741.34 1 6 0 -2 36963. 3128.17 1 -6 0 1 7090.06 496.420 1 -6 0 1 6003.46 1109.01 1 6 0 -1 7302.53 504.157 1 6 0 -1 4966.51 1023.21 1 -6 0 0 90335. 4466.51 1 -6 0 0 77771. 6185.91 1 6 0 0 85843. 4247.11 1 6 0 0 85612. 6815.24 1 -6 0 -1 3224.02 408.891 1 -6 0 -1 2502.31 871.131 1 6 0 1 2974.59 403.117 1 6 0 1 1792.15 855.657 1 -6 0 -2 503.58 368.013 1 -6 0 -2 1180.14 869.745 1 6 0 2 -265.13 366.628 1 6 0 2 1229.79 813.510 1 -6 0 -3 215.47 419.168 1 -6 0 -3 794.69 897.112 1 6 0 3 211.43 390.646 1 6 0 3 850.35 807.043 1 -6 0 -4 346651. 16940. 1 -6 0 -4 343418. 26455. 1 6 0 4 347575. 16998. 1 6 0 4 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1 -7 10 3 4471.13 442.494 1 7 -10 -3 6312.93 1300.23 1 7 -10 -3 7309.46 1366.05 1 -7 10 2 5317.55 463.741 1 -7 10 2 6010.39 482.332 1 -7 10 2 6391.45 1225.17 1 7 -10 -2 7040.41 1333.72 1 7 -10 -2 8267.89 1256.35 1 -7 10 1 3833.71 1126.10 1 7 -10 -1 2725.17 1337.18 1 7 -10 -1 3018.47 1009.93 1 -7 10 0 5.06 291.801 1 -7 10 0 -98.90 293.418 1 -7 10 0 -81.64 1030.83 1 7 -10 0 -93.64 957.620 1 7 -10 0 -375.52 1322.17 1 -7 9 7 6724.01 504.965 1 -7 9 7 6292.14 454.157 1 7 -9 -7 9469.97 1445.73 1 7 -9 -7 8942.25 1535.80 1 -7 9 6 812.24 361.432 1 -7 9 6 853.00 338.568 1 7 -9 -6 -110.54 1089.03 1 7 -9 -6 301.73 1205.54 1 -7 9 5 472.40 345.265 1 -7 9 5 68.11 369.168 1 -7 9 5 1441.11 1132.45 1 7 -9 -5 1666.28 1075.63 1 -7 9 4 816.51 388.914 1 -7 9 4 993.99 321.593 1 -7 9 4 1121.82 954.849 1 7 -9 -4 1674.36 1123.79 1 -7 9 3 -12.26 417.552 1 -7 9 3 202.66 386.258 1 -7 9 3 742.96 978.059 1 7 -9 -3 -323.56 986.951 1 -7 9 2 206.35 410.508 1 -7 9 2 -439.15 412.586 1 -7 9 2 -169.63 1043.65 1 7 -9 -2 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17575. 1944.57 1 7 -8 -5 15497. 1687.07 1 -7 8 4 10821. 719.283 1 -7 8 4 10322. 713.625 1 -7 8 4 9215.93 1390.30 1 7 -8 -4 8357.96 1384.53 1 -7 8 3 465.82 422.286 1 -7 8 3 557.62 399.422 1 -7 8 3 316.05 1086.72 1 7 -8 -3 1501.15 1013.28 1 -7 8 2 4929.56 515.704 1 -7 8 2 3886.83 507.852 1 -7 8 2 6857.96 1257.50 1 7 -8 -2 6287.52 1237.87 1 -7 8 1 12436. 805.426 1 -7 8 1 13048. 812.586 1 -7 8 1 12875. 1471.13 1 7 -8 -1 14469. 1734.41 1 -7 8 0 26443. 1420.32 1 -7 8 0 27390. 1488.45 1 -7 8 0 26882. 2478.06 1 7 -8 0 28533. 2615.47 1 -7 8 -1 757.27 394.572 1 -7 8 -1 50.69 420.438 1 -7 8 -1 524.71 1044.34 1 7 -8 1 289.26 418.706 1 7 -8 1 806.93 941.339 1 -7 8 -2 10054. 687.297 1 -7 8 -2 10512. 1423.79 1 7 -8 2 10059. 682.216 1 7 -8 2 10893. 1353.35 1 -7 8 -3 24700. 1340.65 1 -7 8 -3 28060. 2526.56 1 7 -8 3 24781. 1344.11 1 7 -8 3 25635. 2399.54 1 -7 8 -4 2459.58 442.032 1 -7 8 -4 2418.01 1039.26 1 7 -8 4 2510.39 432.679 1 7 -8 4 1806.00 975.519 1 -7 8 -5 1068.59 332.910 1 -7 8 -5 1139.14 1185.91 1 7 -8 5 480.72 382.563 1 7 -8 5 1110.85 1010.74 1 -7 8 -6 4650.11 452.309 1 -7 8 -6 1316.40 1620.09 1 7 -8 6 5285.21 494.226 1 7 -8 6 5202.07 1136.95 1 -7 7 9 2116.63 376.443 1 -7 7 9 2214.78 334.988 1 7 -7 -9 1517.32 1436.49 1 7 -7 -9 2092.38 1176.67 1 -7 7 8 642.84 368.013 1 -7 7 8 475.63 328.868 1 -7 7 8 813.39 911.662 1 7 -7 -8 405.31 1044.11 1 -7 7 7 20115. 1102.65 1 -7 7 7 20000. 1089.38 1 -7 7 7 21490. 2085.45 1 7 -7 -7 20808. 2092.38 1 -7 7 6 8215.93 605.311 1 -7 7 6 9027.71 620.207 1 -7 7 6 11467. 1527.71 1 7 -7 -6 12286. 1598.15 1 -7 7 5 1347.57 395.150 1 -7 7 5 1266.74 370.669 1 -7 7 5 6180.13 1190.53 1 7 -7 -5 1921.48 1225.17 1 -7 7 4 2429.56 409.699 1 -7 7 4 2444.57 436.258 1 -7 7 4 3483.83 1103.69 1 7 -7 -4 1934.18 1267.90 1 -7 7 3 2456.12 446.073 1 -7 7 3 3115.47 490.300 1 -7 7 3 3937.64 1137.07 1 7 -7 -3 5520.78 1331.41 1 -7 7 2 13314. 852.078 1 -7 7 2 12517. 830.253 1 -7 7 2 15335. 1728.64 1 7 -7 -2 12656. 1608.54 1 -7 7 1 18222. 1043.30 1 -7 7 1 18441. 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6 -1 6034.64 545.265 1 -7 6 -1 5412.23 1058.66 1 7 -6 1 6361.43 645.380 1 7 -6 1 5493.07 1152.65 1 -7 6 -2 2260.97 485.334 1 -7 6 -2 -475.87 867.089 1 7 -6 2 1903.00 507.852 1 7 -6 2 745.15 1046.65 1 -7 6 -3 21882. 1241.34 1 -7 6 -3 20635. 1968.82 1 7 -6 3 23834. 1332.56 1 7 -6 3 24226. 2306.00 1 -7 6 -4 30624. 1639.72 1 -7 6 -4 30866. 2699.77 1 7 -6 4 29977. 1635.10 1 7 -6 4 32529. 2967.66 1 -7 6 -5 8624.70 664.895 1 -7 6 -5 7799.07 1159.35 1 7 -6 5 8048.49 669.976 1 7 -6 5 8419.16 1237.87 1 -7 6 -6 1181.29 435.219 1 -7 6 -6 2952.65 1090.07 1 7 -6 6 1705.54 410.970 1 7 -6 6 1578.52 1039.14 1 -7 6 -7 3266.74 453.233 1 -7 6 -7 3138.57 1066.17 1 7 -6 7 2826.79 448.383 1 7 -6 7 2334.87 857.274 1 -7 6 -8 10766. 699.422 1 -7 6 -8 11193. 1443.42 1 7 -6 8 10799. 711.085 1 7 -6 8 10775. 1385.68 1 7 -6 9 15912. 881.062 1 7 -6 9 14885. 1573.90 1 -7 5 10 261.66 314.434 1 -7 5 10 99.06 290.531 1 7 -5 -10 -227.14 1929.56 1 7 -5 -10 -726.21 1248.27 1 -7 5 9 8700.92 594.110 1 -7 5 9 7471.12 536.951 1 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4808.31 1297.92 1 -7 4 0 40958. 2125.86 1 -7 4 0 40104. 3401.84 1 -7 4 -1 6072.74 592.378 1 -7 4 -1 5861.43 1184.76 1 7 -4 1 7114.31 637.759 1 7 -4 1 8478.05 1439.95 1 -7 4 -2 1351.04 497.228 1 -7 4 -2 2613.16 962.817 1 7 -4 2 1524.25 442.147 1 7 -4 2 2861.43 1066.86 1 -7 4 -3 3722.86 534.295 1 -7 4 -3 2892.61 1044.11 1 7 -4 3 3108.54 553.695 1 7 -4 3 4272.51 1099.08 1 -7 4 -4 2047.34 520.554 1 -7 4 -4 1713.62 906.235 1 7 -4 4 1419.17 478.752 1 7 -4 4 1554.27 952.539 1 -7 4 -5 10042. 748.383 1 -7 4 -5 13222. 1551.96 1 7 -4 5 11127. 802.771 1 7 -4 5 11859. 1397.23 1 -7 4 -6 5845.26 592.840 1 -7 4 -6 8472.28 1250.58 1 7 -4 6 6302.53 594.226 1 7 -4 6 8127.01 1210.16 1 -7 4 -7 7112.00 586.258 1 -7 4 -7 7190.52 1134.64 1 7 -4 7 6375.28 581.293 1 7 -4 7 5285.21 1008.08 1 -7 4 -8 1920.32 459.122 1 -7 4 -8 1918.01 843.417 1 7 -4 8 1945.73 453.348 1 7 -4 8 1710.16 869.630 1 -7 4 -9 803.35 432.101 1 -7 4 -9 1751.73 881.754 1 7 -4 9 838.45 434.757 1 7 -4 9 1155.89 869.399 1 -7 4 -10 896.42 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8 5 8 578.52 846.881 1 -8 -5 -9 902.42 426.674 1 -8 -5 -9 287.53 954.503 1 8 5 9 795.26 443.071 1 8 5 9 -268.59 927.366 1 -8 -5 -10 5467.66 577.944 1 -8 -5 -10 4774.82 1027.25 1 8 5 10 4775.98 550.115 1 8 5 10 5833.71 1086.03 1 -8 -5 -11 6312.93 617.782 1 -8 -5 -11 6314.08 1089.03 1 8 5 11 5479.21 563.163 1 8 5 11 5091.22 1117.09 1 -8 -5 -12 663.51 444.341 1 -8 -5 -12 -671.71 868.359 1 8 5 12 -25.32 466.974 1 8 5 12 95.07 799.653 1 -8 -5 -13 20.45 417.321 1 -8 -5 -13 856.70 858.891 1 8 5 13 -181.29 444.457 1 8 5 13 491.22 860.507 1 -8 -5 -14 8312.92 582.448 1 -8 -5 -14 8907.61 1401.85 1 8 5 14 8718.24 640.300 1 8 5 14 8142.02 1198.61 1 -8 -6 4 978.52 900.115 1 8 6 -4 1527.71 999.77 1 -8 -6 3 2523.09 996.535 1 8 6 -3 4039.26 1105.08 1 -8 -6 2 1890.30 886.951 1 8 6 -2 2421.48 1031.29 1 -8 -6 1 333.72 820.784 1 8 6 -1 1663.97 1000.46 1 -8 -6 0 787.64 820.207 1 8 6 0 976.44 807.967 1 -8 -6 -1 3225.17 264.434 1 -8 -6 -1 1468.82 848.844 1 8 6 1 2665.12 229.561 1 8 6 1 1975.75 944.225 1 -8 -6 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942.378 1 9 1 6 4272.51 505.542 1 9 1 6 3354.50 1025.06 1 -9 -1 -7 32275. 1719.40 1 -9 -1 -7 31293. 2728.63 1 9 1 7 32771. 1726.33 1 9 1 7 32945. 2844.11 1 -9 -1 -8 764.66 457.274 1 -9 -1 -8 1466.51 860.969 1 9 1 8 546.30 438.221 1 9 1 8 169.98 839.145 1 -9 -1 -9 14423. 903.925 1 -9 -1 -9 15808. 1620.09 1 9 1 9 15000. 923.671 1 9 1 9 15808. 1726.33 1 -9 -1 -10 1207.85 447.921 1 -9 -1 -10 707.62 767.436 1 9 1 10 2011.55 428.983 1 9 1 10 2024.25 921.015 1 -9 -1 -11 2321.01 464.896 1 -9 -1 -11 3101.61 934.526 1 9 1 11 2673.21 468.937 1 9 1 11 2103.92 923.671 1 -9 -1 -12 4951.50 504.965 1 -9 -1 -12 6838.33 1161.66 1 9 1 12 4414.55 482.101 1 9 1 12 4752.88 984.987 1 -9 -1 -13 1233.26 402.771 1 -9 -1 -13 -47.79 1145.73 1 9 1 13 1602.77 371.593 1 9 1 13 2087.76 951.847 1 -9 -2 6 -8.95 885.796 1 9 2 -6 543.53 1053.12 1 -9 -2 5 786.37 926.096 1 9 2 -5 602.89 928.752 1 -9 -2 4 137.76 927.251 1 9 2 -4 962.70 907.736 1 -9 -2 3 953.69 839.837 1 9 2 -3 35.70 906.119 1 -9 -2 2 4848.73 955.426 1 9 2 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790.646 1 -9 -8 -6 133.60 425.981 1 -9 -8 -6 453.23 846.535 1 9 8 6 629.79 393.880 1 9 8 6 293.30 853.001 1 -9 -8 -7 862.59 415.011 1 -9 -8 -7 1119.17 714.664 1 9 8 7 1822.17 436.951 1 9 8 7 -315.82 874.133 1 -9 -8 -8 4094.68 452.309 1 -9 -8 -8 5310.62 900.230 1 9 8 8 4714.78 459.815 1 9 8 8 6819.85 1060.62 1 -9 -8 -9 871.82 374.480 1 -9 -8 -9 -246.88 786.489 1 9 8 9 798.27 405.658 1 9 8 9 45.97 871.708 1 -9 -8 -10 2986.14 407.852 1 -9 -8 -10 2106.23 897.228 1 9 8 10 2366.05 412.817 1 9 8 10 2157.04 901.269 1 -9 -9 -5 60.66 384.064 1 -9 -9 -5 1095.61 651.847 1 9 9 5 28.22 362.009 1 9 9 5 1083.60 895.380 1 -9 -9 -6 469.40 408.198 1 -9 -9 -6 3138.57 761.085 1 -9 -9 -7 1698.61 367.898 1 -9 -9 -7 2042.72 866.165 1 9 9 7 -3112.0 1647.80 1 9 9 7 2855.66 913.509 1 -9 -9 -8 8099.30 581.408 1 -9 -9 -8 9092.37 1178.98 1 -10 6 3 399.08 299.884 1 -10 6 3 1095.96 375.866 1 -10 6 3 943.30 1000.46 1 10 -6 -3 567.44 1062.82 1 -10 6 2 -23.44 358.776 1 -10 6 2 557.16 301.501 1 -10 6 2 970.78 872.747 1 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334.295 1 10 4 4 3382.21 873.209 1 -10 -4 -5 492.26 391.916 1 -10 -4 -5 509.47 785.219 1 10 4 5 223.09 348.614 1 10 4 5 -84.03 762.586 1 -10 -4 -6 8990.75 622.632 1 -10 -4 -6 8866.04 1100.23 1 10 4 6 8816.39 598.729 1 10 4 6 7452.65 1112.93 1 -10 -4 -7 11640. 757.043 1 -10 -4 -7 15127. 1542.72 1 10 4 7 11515. 719.283 1 10 4 7 14353. 1556.58 1 -10 -4 -8 -414.90 377.829 1 -10 -4 -8 -539.03 784.295 1 10 4 8 83.43 388.106 1 10 4 8 235.91 848.267 1 -10 -4 -9 2345.26 421.016 1 -10 -4 -9 2826.79 858.775 1 10 4 9 2406.46 432.910 1 10 4 9 2323.32 806.350 1 -10 -4 -10 3085.45 449.422 1 -10 -4 -10 3270.20 1035.68 1 10 4 10 3295.61 432.332 1 10 4 10 4757.50 992.955 1 -10 -4 -11 1571.59 391.108 1 -10 -4 -11 140.76 1060.39 1 10 4 11 1726.33 395.612 1 10 4 11 2028.87 986.835 1 -10 -4 -12 632.68 341.917 1 -10 -4 -12 1396.07 975.057 1 10 4 12 685.45 380.254 1 10 4 12 781.29 950.807 1 -10 -5 1 -214.09 786.142 1 10 5 -1 -434.64 941.570 1 -10 -5 0 -2.49 678.175 1 10 5 0 470.78 857.159 1 -10 -5 -1 1191.68 864.318 1 10 5 1 1824.48 797.690 1 -10 -5 -2 -396.65 542.725 1 -10 -5 -2 845.84 904.618 1 10 5 2 729.45 213.048 1 10 5 2 1138.34 787.066 1 -10 -5 -3 585.10 690.531 1 -10 -5 -3 -22.44 737.066 1 10 5 3 -100.38 236.489 1 10 5 3 -435.10 717.205 1 -10 -5 -4 1973.44 426.905 1 -10 -5 -4 4573.90 896.997 1 10 5 4 3509.23 363.395 1 10 5 4 4528.86 931.639 1 -10 -5 -5 443.07 407.159 1 -10 -5 -5 -397.57 785.911 1 10 5 5 213.16 311.316 1 10 5 5 452.54 782.216 1 -10 -5 -6 1520.78 415.704 1 -10 -5 -6 1842.95 789.491 1 10 5 6 1663.97 342.609 1 10 5 6 913.05 784.872 1 -10 -5 -7 235.80 366.050 1 -10 -5 -7 1104.85 868.821 1 10 5 7 1143.19 339.376 1 10 5 7 -788.22 890.992 1 -10 -5 -8 6949.19 560.738 1 -10 -5 -8 6241.33 1055.31 1 10 5 8 6673.20 529.907 1 10 5 8 7638.56 1137.53 1 -10 -5 -9 1874.13 455.196 1 -10 -5 -9 1569.28 757.736 1 10 5 9 1521.94 409.930 1 10 5 9 2198.61 923.671 1 -10 -5 -10 829.56 398.845 1 -10 -5 -10 263.86 804.041 1 10 5 10 818.71 388.799 1 10 5 10 380.25 812.701 1 -10 -5 -11 119.17 351.616 1 -10 -5 -11 -1635.1 850.230 1 10 5 11 -265.13 351.501 1 10 5 11 -313.74 873.325 1 -10 -6 0 4939.95 1195.15 1 10 6 0 5109.69 1044.23 1 -10 -6 -1 806.23 698.845 1 10 6 1 -114.11 945.496 1 -10 -6 -2 -74.00 203.118 1 -10 -6 -2 1315.24 705.658 1 10 6 2 442.15 213.857 1 10 6 2 931.29 804.965 1 -10 -6 -3 -457.27 512.009 1 -10 -6 -3 1920.32 681.639 1 10 6 3 1935.33 259.815 1 10 6 3 272.40 776.789 1 10 6 4 42852. 2155.89 1 10 6 4 49342. 4018.47 1 -10 -6 -5 173.90 439.030 1 -10 -6 -5 -868.47 740.299 1 10 6 5 -193.19 327.944 1 10 6 5 -534.18 750.230 1 -10 -6 -6 898.38 414.896 1 -10 -6 -6 1369.51 705.658 1 10 6 6 827.71 378.868 1 10 6 6 708.20 775.634 1 -10 -6 -7 11801. 767.205 1 -10 -6 -7 9226.32 1114.89 1 10 6 7 11951. 742.032 1 10 6 7 9324.47 1251.73 1 -10 -6 -8 5899.53 508.083 1 -10 -6 -8 5899.53 944.225 1 10 6 8 4913.39 496.420 1 10 6 8 5441.10 978.983 1 -10 -6 -9 251.96 364.896 1 -10 -6 -9 -125.52 804.965 1 10 6 9 533.72 361.893 1 10 6 9 32.39 829.907 1 -10 -6 -10 1219.40 384.180 1 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4 2 11030. 1244.80 1 11 -4 -2 7942.26 1206.70 1 -11 4 1 -44.58 299.422 1 -11 4 1 -728.64 375.981 1 -11 4 1 -236.14 835.103 1 11 -4 -1 -141.80 964.087 1 -11 4 0 -114.63 305.889 1 -11 4 0 278.87 370.438 1 -11 4 0 644.34 886.835 1 11 -4 0 532.45 317.552 1 11 -4 0 1449.19 1021.02 1 -11 4 -1 2904.15 410.508 1 -11 4 -1 3496.53 848.498 1 11 -4 1 3250.57 403.579 1 11 -4 1 2714.78 897.343 1 -11 4 -2 2116.63 424.364 1 -11 4 -2 3710.16 939.145 1 11 -4 2 1654.73 363.279 1 11 -4 2 3005.77 1027.71 1 -11 4 -3 2406.46 412.240 1 -11 4 -3 414.90 777.135 1 11 -4 3 1855.66 363.279 1 11 -4 3 1943.42 982.909 1 -11 4 -4 727.48 379.099 1 -11 4 -4 1079.33 796.189 1 11 -4 4 1122.29 322.863 1 11 -4 4 896.77 830.484 1 -11 4 -5 922.63 882.101 1 11 -4 5 55.40 942.609 1 -11 3 3 -144.34 816.396 1 11 -3 -3 514.90 1006.93 1 -11 3 2 7799.07 521.131 1 -11 3 2 7169.74 485.796 1 -11 3 2 8404.15 1079.68 1 11 -3 -2 10680. 1307.16 1 -11 3 1 1815.24 320.669 1 -11 3 1 1707.85 397.459 1 -11 3 1 3053.11 889.376 1 11 -3 -1 1876.44 902.886 1 -11 3 0 342.84 315.589 1 -11 3 0 216.40 386.951 1 -11 3 0 948.04 803.810 1 11 -3 0 578.87 351.270 1 11 -3 0 502.31 871.362 1 -11 3 -1 3288.68 445.265 1 -11 3 -1 5879.90 1047.46 1 11 -3 1 3069.28 398.845 1 11 -3 1 6312.93 1061.66 1 -11 3 -2 644.80 399.422 1 -11 3 -2 616.05 919.283 1 11 -3 2 477.37 342.378 1 11 -3 2 348.15 1027.48 1 -11 3 -3 68.42 372.748 1 -11 3 -3 448.84 827.135 1 11 -3 3 -239.61 331.062 1 11 -3 3 1069.17 938.452 1 -11 3 -4 791.11 436.258 1 -11 3 -4 685.80 811.085 1 11 -3 4 590.18 334.642 1 11 -3 4 -830.25 945.265 1 -11 3 -5 -228.87 373.672 1 -11 3 -5 240.88 803.117 1 11 -3 5 216.17 337.182 1 11 -3 5 135.91 812.124 1 -11 3 -6 147.46 351.039 1 -11 3 -6 884.76 813.048 1 11 -3 6 493.07 324.249 1 11 -3 6 217.44 769.976 1 -11 2 3 108.28 421.593 1 -11 2 3 -320.09 338.221 1 -11 2 3 309.47 833.717 1 11 -2 -3 -502.54 840.761 1 -11 2 2 2157.04 424.480 1 -11 2 2 1521.94 312.933 1 -11 2 2 3527.71 914.202 1 11 -2 -2 3890.30 994.918 1 -11 2 1 15831. 1573.90 1 11 -2 -1 14515. 1548.50 1 -11 2 0 8946.87 608.891 1 -11 2 0 6819.85 1142.15 1 11 -2 0 8685.90 608.083 1 11 -2 0 6448.03 1092.15 1 -11 2 -1 3331.41 414.203 1 -11 2 -1 6205.54 1071.94 1 11 -2 1 3594.68 428.868 1 11 -2 1 6318.70 1093.88 1 -11 2 -2 11940. 744.688 1 -11 2 -2 12945. 1421.48 1 11 -2 2 11446. 710.738 1 11 -2 2 11103. 1437.64 1 -11 2 -3 16051. 934.064 1 -11 2 -3 17483. 1710.16 1 11 -2 3 15762. 906.812 1 11 -2 3 15912. 1633.95 1 -11 2 -4 2277.13 422.401 1 -11 2 -4 2841.80 887.413 1 11 -2 4 2924.94 407.159 1 11 -2 4 2799.07 868.590 1 -11 2 -5 81.22 378.753 1 -11 2 -5 -245.03 904.041 1 11 -2 5 -189.38 339.376 1 11 -2 5 -441.45 793.648 1 -11 2 -6 4643.18 477.136 1 -11 2 -6 5058.89 982.332 1 11 -2 6 3696.30 420.092 1 11 -2 6 4090.06 897.459 1 -11 2 -7 7207.84 510.854 1 -11 2 -7 8002.30 1229.79 1 11 -2 7 8103.92 569.745 1 11 -2 7 7054.27 1117.20 1 -11 1 3 445.50 495.265 1 -11 1 3 141.45 380.600 1 -11 1 3 -656.23 730.484 1 11 -1 -3 -0.39 816.627 1 -11 1 2 31559. 1640.88 1 -11 1 2 32344. 1648.96 1 -11 1 2 33164. 2834.87 1 11 -1 -2 31628. 2769.05 1 -11 1 1 284.41 326.097 1 -11 1 1 268.01 418.822 1 -11 1 1 263.16 785.796 1 11 -1 -1 -611.66 842.840 1 -11 1 0 1029.33 384.757 1 -11 1 0 1062.12 798.729 1 11 -1 0 1497.69 415.704 1 11 -1 0 296.65 943.533 1 -11 1 -1 7513.85 572.863 1 -11 1 -1 9782.90 1191.68 1 11 -1 1 8188.21 570.785 1 11 -1 1 10747. 1361.43 1 -11 1 -2 1351.04 375.750 1 -11 1 -2 2117.78 893.764 1 11 -1 2 2002.31 367.552 1 11 -1 2 3081.98 950.692 1 -11 1 -3 482.68 365.011 1 -11 1 -3 403.58 855.195 1 11 -1 3 599.08 331.178 1 11 -1 3 751.27 869.168 1 -11 1 -4 906.70 386.951 1 -11 1 -4 845.03 815.011 1 11 -1 4 983.60 349.653 1 11 -1 4 713.63 834.757 1 -11 1 -5 713.86 440.184 1 -11 1 -5 1844.11 934.410 1 11 -1 5 598.15 353.695 1 11 -1 5 1057.50 853.232 1 -11 1 -6 -139.95 400.461 1 -11 1 -6 136.95 906.581 1 11 -1 6 321.48 365.704 1 11 -1 6 178.18 770.323 1 -11 1 -7 3300.23 433.833 1 -11 1 -7 3139.72 888.452 1 11 -1 7 3887.99 443.649 1 11 -1 7 3894.92 873.094 1 -11 1 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0 -6 -216.17 918.244 1 11 0 6 1123.09 355.889 1 11 0 6 -296.88 774.364 1 -11 0 -7 1084.41 413.164 1 -11 0 -7 2959.58 871.015 1 11 0 7 1068.82 370.785 1 11 0 7 2370.67 856.235 1 -11 0 -8 30023. 1563.51 1 -11 0 -8 32460. 2795.61 1 11 0 8 27367. 1431.87 1 11 0 8 30485. 2622.40 1 -11 0 -9 6533.48 513.394 1 -11 0 -9 7456.11 1157.04 1 11 0 9 6383.37 509.237 1 11 0 9 7342.95 1204.39 1 -11 -1 2 -71.03 923.094 1 11 1 -2 909.58 815.819 1 -11 -1 1 2190.53 942.840 1 11 1 -1 1856.81 910.738 1 -11 -1 0 65.35 507.274 1 -11 -1 0 474.13 760.392 1 11 1 0 393.53 265.820 1 11 1 0 496.42 889.029 1 -11 -1 -1 2528.87 441.801 1 -11 -1 -1 3110.85 954.733 1 11 1 1 2533.48 334.295 1 11 1 1 2868.36 834.064 1 -11 -1 -2 3310.62 435.912 1 -11 -1 -2 3849.88 913.163 1 11 1 2 2623.55 355.311 1 11 1 2 3577.36 872.286 1 -11 -1 -3 -81.61 383.602 1 -11 -1 -3 831.99 812.586 1 11 1 3 494.46 312.124 1 11 1 3 581.64 767.205 1 -11 -1 -4 761.20 404.734 1 -11 -1 -4 1674.36 809.583 1 11 1 4 790.41 326.790 1 11 1 4 -322.75 845.611 1 -11 -1 -5 4796.76 465.127 1 -11 -1 -5 4949.19 878.059 1 11 1 5 5150.11 454.503 1 11 1 5 5467.66 938.221 1 -11 -1 -6 654.96 420.323 1 -11 -1 -6 731.06 755.888 1 11 1 6 89.62 345.496 1 11 1 6 624.83 753.348 1 -11 -1 -7 5781.75 550.230 1 -11 -1 -7 5219.39 899.999 1 11 1 7 5898.38 514.434 1 11 1 7 6677.82 1086.49 1 -11 -1 -8 6797.91 548.960 1 -11 -1 -8 8003.46 1169.74 1 11 1 8 6438.79 514.203 1 11 1 8 6999.99 1054.27 1 -11 -1 -9 1875.29 405.311 1 -11 -1 -9 2412.24 890.992 1 11 1 9 1941.11 341.455 1 11 1 9 2633.95 882.794 1 -11 -2 2 4531.17 981.061 1 11 2 -2 4051.96 994.687 1 -11 -2 1 -72.75 181.986 1 -11 -2 1 -89.84 211.547 1 -11 -2 1 401.73 782.794 1 11 2 -1 583.02 866.281 1 -11 -2 0 -78.52 333.256 1 -11 -2 0 616.97 419.977 1 -11 -2 0 1340.65 798.152 1 11 2 0 -448.84 855.888 1 11 2 1 4457.27 364.203 1 11 2 1 6698.61 1123.09 1 -11 -2 -2 1323.32 440.646 1 -11 -2 -2 2406.46 728.521 1 11 2 2 765.24 278.868 1 11 2 2 1583.14 813.048 1 -11 -2 -3 5176.67 498.614 1 -11 -2 -3 7687.06 1013.16 1 11 2 3 5137.41 429.907 1 11 2 3 7871.82 1112.12 1 -11 -2 -4 15612. 902.655 1 -11 -2 -4 18660. 1744.80 1 11 2 4 14492. 825.288 1 11 2 4 18776. 1771.36 1 -11 -2 -5 352.08 380.254 1 -11 -2 -5 118.82 754.965 1 11 2 5 233.60 335.912 1 11 2 5 -259.12 823.556 1 -11 -2 -6 2695.15 437.875 1 -11 -2 -6 5212.47 1022.63 1 11 2 6 2648.96 367.783 1 11 2 6 4339.49 1009.47 1 -11 -2 -7 -228.98 387.182 1 -11 -2 -7 -31.36 863.048 1 11 2 7 321.13 371.131 1 11 2 7 240.99 855.657 1 -11 -2 -8 1861.43 387.413 1 -11 -2 -8 1831.41 909.122 1 11 2 8 2132.79 397.113 1 11 2 8 2165.12 798.960 1 -11 -2 -9 180.83 348.152 1 -11 -2 -9 1986.14 895.380 1 11 2 9 337.64 351.847 1 11 2 9 1414.55 807.274 1 -11 -2 -10 131.64 368.475 1 -11 -2 -10 -630.48 878.406 1 11 2 10 382.22 361.316 1 11 2 10 399.08 816.050 1 -11 -3 1 3019.63 934.988 1 11 3 -1 3028.87 832.794 1 -11 -3 0 3420.32 1003.00 1 11 3 0 3234.41 936.604 1 11 3 1 1518.47 272.748 1 11 3 1 2258.66 888.105 1 -11 -3 -2 109.49 509.006 1 -11 -3 -2 1337.18 713.394 1 11 3 2 1262.12 254.965 1 11 3 2 966.17 840.992 1 -11 -3 -3 4294.45 495.265 1 -11 -3 -3 3771.36 854.503 1 11 3 3 3615.47 351.732 1 11 3 3 4444.57 936.142 1 -11 -3 -4 18753. 1064.09 1 -11 -3 -4 17182. 1653.58 1 11 3 4 17194. 951.731 1 11 3 4 14665. 1504.62 1 -11 -3 -5 455.77 366.859 1 -11 -3 -5 1081.75 649.999 1 11 3 5 675.63 315.127 1 11 3 5 1009.24 877.135 1 -11 -3 -6 6618.93 535.565 1 -11 -3 -6 3737.87 852.771 1 11 3 6 6878.75 531.293 1 11 3 6 4491.91 904.041 1 -11 -3 -7 11928. 742.955 1 -11 -3 -7 12887. 1340.65 1 11 3 7 12425. 775.403 1 11 3 7 12240. 1321.01 1 -11 -3 -8 3017.32 427.367 1 -11 -3 -8 2965.35 914.780 1 11 3 8 3120.09 447.113 1 11 3 8 3421.47 919.052 1 -11 -3 -9 365.36 355.080 1 -11 -3 -9 595.84 824.826 1 11 3 9 428.18 377.020 1 11 3 9 1368.36 780.946 1 -11 -3 -10 2826.79 467.090 1 -11 -3 -10 3251.73 920.553 1 11 3 10 3169.74 425.057 1 11 3 10 2601.61 975.288 1 -11 -4 0 919.28 959.814 1 11 4 0 941.34 843.879 1 -11 -4 -1 228.06 218.360 1 -11 -4 -1 -5.90 784.988 1 11 4 1 -90.62 239.838 1 11 4 1 282.10 849.768 1 -11 -4 -2 179.45 372.632 1 -11 -4 -2 1525.40 713.394 1 11 4 2 1230.95 245.265 1 11 4 2 1607.39 836.835 1 -11 -4 -3 -354.16 449.191 1 -11 -4 -3 -284.41 712.817 1 11 4 3 -190.88 265.935 1 11 4 3 485.57 707.159 1 -11 -4 -4 149.08 449.769 1 -11 -4 -4 384.41 668.013 1 11 4 4 821.48 304.272 1 11 4 4 748.96 790.299 1 -11 -4 -5 301.04 378.406 1 -11 -4 -5 842.96 599.191 1 11 4 5 1847.57 477.482 1 11 4 5 904.85 842.378 1 -11 -4 -6 2512.70 418.822 1 -11 -4 -6 3314.08 855.888 1 11 4 6 4840.64 496.766 1 11 4 6 1826.79 771.477 1 -11 -4 -7 383.49 395.265 1 -11 -4 -7 854.73 866.281 1 11 4 7 1396.07 350.577 1 11 4 7 472.29 733.256 1 -11 -4 -8 2712.47 399.653 1 -11 -4 -8 4841.80 1017.09 1 11 4 8 3258.66 414.318 1 11 4 8 3478.06 833.140 1 -11 -4 -9 1704.39 364.087 1 -11 -4 -9 2646.65 843.879 1 11 4 9 1926.10 377.367 1 11 4 9 2386.83 793.071 1 -11 -5 -2 -16.81 289.838 1 -11 -5 -2 1726.33 859.468 1 11 5 2 693.42 252.078 1 11 5 2 1737.87 809.468 1 11 5 3 3155.89 308.198 1 11 5 3 5257.50 952.655 1 -11 -5 -5 406.58 388.799 1 -11 -5 -5 753.46 837.528 1 11 5 5 -174.13 372.517 1 11 5 5 1530.02 774.018 1 -11 -5 -6 8972.28 602.309 1 -11 -5 -6 11813. 1398.38 1 -11 -5 -7 55.97 320.092 1 -11 -5 -7 -460.16 684.180 1 11 5 7 -556.58 625.981 1 11 5 7 281.06 783.487 1 -11 -5 -8 -10.15 347.690 1 -11 -5 -8 174.36 667.436 1 11 5 8 182.45 324.596 1 11 5 8 -138.22 870.553 1 -12 1 -2 2146.65 834.410 1 12 -1 2 3794.45 1029.91 1 -12 1 -3 247.11 366.166 1 -12 1 -3 791.69 787.759 1 12 -1 3 20.35 340.184 1 12 -1 3 -373.21 813.741 1 -12 1 -4 49.49 858.544 1 12 -1 4 -431.87 908.313 1 12 0 2 -451.73 1371.82 1 12 0 2 355.54 761.893 1 -12 0 -3 1696.30 364.318 1 -12 0 -3 1498.84 797.690 1 12 0 3 -444.46 683.371 1 12 0 3 2107.39 818.359 1 -12 0 -4 4815.24 447.806 1 -12 0 -4 6457.27 996.997 1 -12 0 -5 349.19 391.455 1 -12 0 -5 110.31 838.914 1 12 0 5 -18.60 298.383 1 12 0 5 718.36 752.309 1 -12 -1 -2 240.18 779.560 1 12 1 2 728.52 879.445 1 -12 -1 -3 972.52 327.482 1 -12 -1 -3 1817.55 836.951 1 12 1 3 169.51 1324.48 1 12 1 3 1236.72 895.380 1 -12 -1 -4 3668.59 389.607 1 -12 -1 -4 6717.08 1013.05 1 -12 -1 -5 322.06 350.231 1 -12 -1 -5 -223.09 948.729 1 12 1 5 -195.96 306.928 1 12 1 5 159.58 778.521 1 -12 -2 -3 518.01 721.708 1 12 2 3 648.84 773.440 1 -12 -2 -4 1725.17 358.776 1 -12 -2 -4 3265.59 856.812 1 12 2 4 920.21 1232.10 1 12 2 4 3655.89 918.706 1 -12 -2 -5 -219.40 351.039 1 -12 -2 -5 437.76 873.787 1 12 2 5 -51.45 622.863 1 12 2 5 -58.27 834.988 1 0 0 0 0. 0.00 0 ; _shelx_hkl_checksum 9855 _shelx_res_file ; TITL 1_a.res in P-1 2_24danza01.res created by SHELXL-2019/3 at 03:11:47 on 15-Dec-2024 REM Old TITL 1 in P-1 REM SHELXT solution in P-1 REM R1 0.133, Rweak 0.008, Alpha 0.077, Orientation as input REM Formula found by SHELXT: C21 N2 Cl4 CELL 0.75268 8.993 9.654 12.216 69.352 77.257 87.67 ZERR 2 0.003 0.0013 0.004 0.011 0.012 0.008 LATT 1 SFAC C H Cl N DISP C 0.0027 0.0018 12.944 DISP Cl 0.1626 0.1783 795.6536 DISP H 0 0 0.6262 DISP N 0.0071 0.0037 22.4473 UNIT 42 56 4 4 L.S. 12 PLAN 6 SIZE 0.19 0.12 0.05 TEMP -173 CONF BOND $H MORE 3 LIST 4 fmap 2 acta WGHT 0.084700 0.229600 EXTI 0.089711 FVAR 13.00050 0.92005 CL1 3 0.607071 1.013124 0.118385 11.00000 0.04624 0.03847 = 0.04994 -0.02035 -0.01803 0.01023 PART 1 CL2 3 0.570962 0.364631 0.141868 21.00000 0.04386 0.03654 = 0.03891 -0.01972 -0.00912 0.00561 PART 2 CL2' 3 0.435726 0.820699 0.320989 -21.00000 0.03504 0.04507 = 0.05832 -0.02743 -0.01667 0.00455 PART 0 N1 4 1.147758 0.886858 0.187909 11.00000 0.03615 0.04867 = 0.04637 -0.01821 -0.01284 -0.00568 AFIX 7 0.8800 H1A 2 1.162855 0.983508 0.163730 11.00000 -1.20000 H1B 2 1.220754 0.824611 0.182099 11.00000 -1.20000 AFIX 0 N2 4 0.251143 0.309397 0.560933 11.00000 0.04860 0.04848 = 0.03452 -0.01218 -0.00847 -0.00727 AFIX 7 0.8800 H2A 2 0.232317 0.332820 0.625941 11.00000 -1.20000 H2B 2 0.268619 0.216227 0.569476 11.00000 -1.20000 AFIX 0 C1 1 1.015746 0.845548 0.162905 11.00000 0.03378 0.04343 = 0.02892 -0.01375 -0.00752 -0.00438 C2 1 1.002728 0.704417 0.155859 11.00000 0.03198 0.04082 = 0.03054 -0.01489 -0.00926 0.00351 C3 1 0.866466 0.662302 0.138368 11.00000 0.03374 0.03616 = 0.02996 -0.01482 -0.01030 0.00268 AFIX 43 H3 2 0.857145 0.566189 0.135205 11.00000 -1.20000 AFIX 0 C4 1 0.742083 0.754222 0.125151 11.00000 0.02983 0.03564 = 0.02736 -0.01163 -0.00700 0.00022 C5 1 0.761252 0.893366 0.130665 11.00000 0.03475 0.03402 = 0.03043 -0.01203 -0.00922 0.00289 C6 1 0.894745 0.943263 0.148742 11.00000 0.03807 0.03500 = 0.02928 -0.01136 -0.00729 -0.00392 C7 1 1.139000 0.606951 0.163443 11.00000 0.03234 0.04825 = 0.03880 -0.01867 -0.01269 0.00580 AFIX 23 H7A 2 1.229620 0.666353 0.106943 11.00000 -1.20000 H7B 2 1.157666 0.578413 0.245303 11.00000 -1.20000 AFIX 0 C8 1 1.125690 0.468108 0.136468 11.00000 0.04085 0.04860 = 0.04870 -0.02156 -0.01494 0.01039 AFIX 137 H8A 2 1.105026 0.494073 0.056275 11.00000 -1.50000 H8B 2 1.041972 0.403709 0.196063 11.00000 -1.50000 H8C 2 1.221399 0.416063 0.139488 11.00000 -1.50000 AFIX 0 C9 1 0.908167 1.093988 0.157111 11.00000 0.04833 0.03675 = 0.03712 -0.01317 -0.00916 -0.00707 AFIX 23 H9A 2 0.842955 1.162596 0.108485 11.00000 -1.20000 H9B 2 1.015074 1.132801 0.123406 11.00000 -1.20000 AFIX 0 C10 1 0.860538 1.089239 0.286576 11.00000 0.05808 0.04175 = 0.04085 -0.01873 -0.00777 -0.00976 AFIX 137 H10A 2 0.870197 1.189198 0.288216 11.00000 -1.50000 H10B 2 0.926583 1.023404 0.334555 11.00000 -1.50000 H10C 2 0.754312 1.052072 0.319926 11.00000 -1.50000 AFIX 0 C11 1 0.596779 0.697446 0.109321 11.00000 0.03157 0.03523 = 0.03124 -0.01296 -0.01003 0.00102 AFIX 23 H11A 2 0.622748 0.646743 0.050261 11.00000 -1.20000 H11B 2 0.533729 0.782290 0.077199 11.00000 -1.20000 AFIX 0 C12 1 0.505354 0.590728 0.226580 11.00000 0.02743 0.03477 = 0.03230 -0.01420 -0.01154 0.00311 C13 1 0.487266 0.439539 0.252227 11.00000 0.03052 0.03574 = 0.03237 -0.01522 -0.01184 0.00307 PART 2 AFIX 43 H13 2 0.531639 0.400676 0.191570 -21.00000 -1.20000 AFIX 0 PART 0 C14 1 0.407174 0.341182 0.362639 11.00000 0.03326 0.03486 = 0.03849 -0.01366 -0.01452 0.00218 C15 1 0.336831 0.400248 0.451269 11.00000 0.03042 0.04334 = 0.03098 -0.01149 -0.01168 -0.00088 C16 1 0.352970 0.552697 0.429035 11.00000 0.02967 0.04436 = 0.03400 -0.01877 -0.01265 0.00427 C17 1 0.437054 0.642704 0.318765 11.00000 0.02996 0.03527 = 0.03531 -0.01612 -0.01302 0.00369 PART 1 AFIX 43 H17 2 0.449079 0.745242 0.304869 21.00000 -1.20000 AFIX 0 PART 0 C18 1 0.398721 0.175930 0.390117 11.00000 0.04461 0.03355 = 0.04570 -0.01156 -0.01413 0.00157 AFIX 23 H18A 2 0.403956 0.124330 0.474962 11.00000 -1.20000 H18B 2 0.488723 0.148971 0.339552 11.00000 -1.20000 AFIX 0 C19 1 0.254220 0.120868 0.368989 11.00000 0.06109 0.03895 = 0.06208 -0.01601 -0.02526 -0.00525 AFIX 137 H19A 2 0.250468 0.167582 0.284280 11.00000 -1.50000 H19B 2 0.164323 0.146679 0.418874 11.00000 -1.50000 H19C 2 0.255270 0.013057 0.390275 11.00000 -1.50000 AFIX 0 C20 1 0.279679 0.621307 0.521117 11.00000 0.03821 0.05556 = 0.03849 -0.02582 -0.01223 0.00538 AFIX 23 H20A 2 0.334078 0.716805 0.502372 11.00000 -1.20000 H20B 2 0.291900 0.555093 0.601287 11.00000 -1.20000 AFIX 0 C21 1 0.109820 0.648424 0.525678 11.00000 0.04107 0.06511 = 0.05009 -0.03439 -0.01198 0.00829 AFIX 137 H21A 2 0.096024 0.709184 0.445546 11.00000 -1.50000 H21B 2 0.071381 0.700143 0.581735 11.00000 -1.50000 H21C 2 0.053358 0.553298 0.552671 11.00000 -1.50000 AFIX 0 HKLF 4 REM 1_a.res in P-1 REM wR2 = 0.1471, GooF = S = 1.050, Restrained GooF = 1.050 for all data REM R1 = 0.0506 for 3879 Fo > 4sig(Fo) and 0.0643 for all 4844 data REM 243 parameters refined using 0 restraints END WGHT 0.0845 0.2300 REM Highest difference peak 0.640, deepest hole -0.558, 1-sigma level 0.064 Q1 1 0.8260 0.4544 0.1622 11.00000 0.05 0.64 Q2 1 0.6716 1.0710 0.0512 11.00000 0.05 0.53 Q3 1 0.2487 0.7370 0.4957 11.00000 0.05 0.49 Q4 1 1.2244 0.5578 0.0775 11.00000 0.05 0.44 Q5 1 1.0053 0.7732 0.1629 11.00000 0.05 0.36 Q6 1 1.1031 0.5283 0.1901 11.00000 0.05 0.35 ; _shelx_res_checksum 78341 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Cl Cl1 0.60707(6) 1.01312(5) 0.11839(5) 0.04260(17) Uani d 1 . . Cl Cl2 0.57096(6) 0.36463(6) 0.14187(5) 0.03812(19) Uani d 0.920(2) A 1 Cl Cl2' 0.4357(7) 0.8207(7) 0.3210(6) 0.0426(19) Uani d 0.080(2) A 2 N N1 1.1478(2) 0.8869(2) 0.18791(17) 0.0425(4) Uani d 1 . . H H1A 1.162855 0.983508 0.163730 0.051 Uiso d 1 . . H H1B 1.220754 0.824611 0.182099 0.051 Uiso d 1 . . N N2 0.2511(2) 0.3094(2) 0.56093(16) 0.0444(4) Uani d 1 . . H H2A 0.232317 0.332820 0.625941 0.053 Uiso d 1 . . H H2B 0.268619 0.216227 0.569476 0.053 Uiso d 1 . . C C1 1.0157(2) 0.8455(2) 0.16291(16) 0.0348(4) Uani d 1 . . C C2 1.0027(2) 0.7044(2) 0.15586(16) 0.0335(4) Uani d 1 . . C C3 0.8665(2) 0.6623(2) 0.13837(16) 0.0319(4) Uani d 1 . . H H3 0.857145 0.566189 0.135205 0.038 Uiso calc 1 . . C C4 0.7421(2) 0.7542(2) 0.12515(15) 0.0307(3) Uani d 1 . . C C5 0.7613(2) 0.8934(2) 0.13066(16) 0.0326(4) Uani d 1 . . C C6 0.8947(2) 0.9433(2) 0.14874(16) 0.0340(4) Uani d 1 . . C C7 1.1390(2) 0.6070(2) 0.16344(18) 0.0382(4) Uani d 1 . . H H7A 1.229620 0.666353 0.106943 0.046 Uiso calc 1 . . H H7B 1.157666 0.578413 0.245303 0.046 Uiso calc 1 . . C C8 1.1257(3) 0.4681(3) 0.1365(2) 0.0443(5) Uani d 1 . . H H8A 1.105026 0.494073 0.056275 0.066 Uiso calc 1 . . H H8B 1.041972 0.403709 0.196063 0.066 Uiso calc 1 . . H H8C 1.221399 0.416063 0.139488 0.066 Uiso calc 1 . . C C9 0.9082(3) 1.0940(2) 0.15711(18) 0.0405(4) Uani d 1 . . H H9A 0.842955 1.162596 0.108485 0.049 Uiso calc 1 . . H H9B 1.015074 1.132801 0.123406 0.049 Uiso calc 1 . . C C10 0.8605(3) 1.0892(2) 0.28658(19) 0.0459(5) Uani d 1 . . H H10A 0.870197 1.189198 0.288216 0.069 Uiso calc 1 . . H H10B 0.926583 1.023404 0.334555 0.069 Uiso calc 1 . . H H10C 0.754312 1.052072 0.319926 0.069 Uiso calc 1 . . C C11 0.5968(2) 0.6974(2) 0.10932(16) 0.0318(4) Uani d 1 . . H H11A 0.622748 0.646743 0.050261 0.038 Uiso calc 1 . . H H11B 0.533729 0.782290 0.077199 0.038 Uiso calc 1 . . C C12 0.5054(2) 0.5907(2) 0.22658(16) 0.0301(3) Uani d 1 . . C C13 0.4873(2) 0.4395(2) 0.25223(16) 0.0312(4) Uani d 1 . . H H13 0.531639 0.400676 0.191570 0.037 Uiso calc 0.080(2) A 2 C C14 0.4072(2) 0.3412(2) 0.36264(17) 0.0343(4) Uani d 1 . . C C15 0.3368(2) 0.4002(2) 0.45127(16) 0.0345(4) Uani d 1 . . C C16 0.3530(2) 0.5527(2) 0.42903(17) 0.0338(4) Uani d 1 . . C C17 0.4371(2) 0.6427(2) 0.31877(16) 0.0316(4) Uani d 1 . . H H17 0.449079 0.745242 0.304869 0.038 Uiso calc 0.920(2) A 1 C C18 0.3987(3) 0.1759(2) 0.3901(2) 0.0413(4) Uani d 1 . . H H18A 0.403956 0.124330 0.474962 0.050 Uiso calc 1 . . H H18B 0.488723 0.148971 0.339552 0.050 Uiso calc 1 . . C C19 0.2542(3) 0.1209(3) 0.3690(2) 0.0524(6) Uani d 1 . . H H19A 0.250468 0.167582 0.284280 0.079 Uiso calc 1 . . H H19B 0.164323 0.146679 0.418874 0.079 Uiso calc 1 . . H H19C 0.255270 0.013057 0.390275 0.079 Uiso calc 1 . . C C20 0.2797(2) 0.6213(3) 0.52112(19) 0.0410(4) Uani d 1 . . H H20A 0.334078 0.716805 0.502372 0.049 Uiso calc 1 . . H H20B 0.291900 0.555093 0.601287 0.049 Uiso calc 1 . . C C21 0.1098(3) 0.6484(3) 0.5257(2) 0.0481(5) Uani d 1 . . H H21A 0.096024 0.709184 0.445546 0.072 Uiso calc 1 . . H H21B 0.071381 0.700143 0.581735 0.072 Uiso calc 1 . . H H21C 0.053358 0.553298 0.552671 0.072 Uiso calc 1 . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Cl1 0.0462(3) 0.0385(3) 0.0499(3) 0.0102(2) -0.0180(2) -0.0203(2) Cl2 0.0439(3) 0.0365(3) 0.0389(3) 0.0056(2) -0.0091(2) -0.0197(2) Cl2' 0.035(3) 0.045(3) 0.058(4) 0.005(2) -0.017(3) -0.027(3) N1 0.0361(9) 0.0487(10) 0.0464(9) -0.0057(7) -0.0128(7) -0.0182(8) N2 0.0486(10) 0.0485(10) 0.0345(8) -0.0073(8) -0.0085(8) -0.0122(7) C1 0.0338(9) 0.0434(10) 0.0289(8) -0.0044(7) -0.0075(7) -0.0137(7) C2 0.0320(9) 0.0408(9) 0.0305(8) 0.0035(7) -0.0093(7) -0.0149(7) C3 0.0337(9) 0.0362(8) 0.0300(8) 0.0027(7) -0.0103(7) -0.0148(7) C4 0.0298(8) 0.0356(8) 0.0274(8) 0.0002(7) -0.0070(7) -0.0116(7) C5 0.0348(9) 0.0340(8) 0.0304(8) 0.0029(7) -0.0092(7) -0.0120(7) C6 0.0381(9) 0.0350(9) 0.0293(8) -0.0039(7) -0.0073(7) -0.0114(7) C7 0.0323(9) 0.0482(10) 0.0388(10) 0.0058(8) -0.0127(8) -0.0187(8) C8 0.0408(10) 0.0486(11) 0.0487(11) 0.0104(9) -0.0149(9) -0.0216(9) C9 0.0483(11) 0.0367(9) 0.0371(10) -0.0071(8) -0.0092(9) -0.0132(8) C10 0.0581(13) 0.0417(10) 0.0409(10) -0.0098(9) -0.0078(10) -0.0187(9) C11 0.0316(8) 0.0352(8) 0.0312(8) 0.0010(7) -0.0100(7) -0.0130(7) C12 0.0274(8) 0.0348(8) 0.0323(8) 0.0031(6) -0.0115(7) -0.0142(7) C13 0.0305(8) 0.0357(8) 0.0324(8) 0.0031(7) -0.0118(7) -0.0152(7) C14 0.0333(9) 0.0349(9) 0.0385(9) 0.0022(7) -0.0145(8) -0.0137(7) C15 0.0304(8) 0.0433(10) 0.0310(8) -0.0009(7) -0.0117(7) -0.0115(7) C16 0.0297(8) 0.0444(10) 0.0340(9) 0.0043(7) -0.0126(7) -0.0188(8) C17 0.0300(8) 0.0353(8) 0.0353(9) 0.0037(7) -0.0130(7) -0.0161(7) C18 0.0446(11) 0.0336(9) 0.0457(11) 0.0016(8) -0.0141(9) -0.0116(8) C19 0.0611(14) 0.0389(10) 0.0621(14) -0.0052(10) -0.0253(12) -0.0160(10) C20 0.0382(10) 0.0556(12) 0.0385(10) 0.0054(9) -0.0122(8) -0.0258(9) C21 0.0411(11) 0.0651(14) 0.0501(12) 0.0083(10) -0.0120(9) -0.0344(11) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0027 0.0018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1626 0.1783 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0071 0.0037 '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_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag C1 N1 H1A . . 113.1 ? C1 N1 H1B . . 111.5 ? H1A N1 H1B . . 124.1 ? C15 N2 H2A . . 123.3 ? C15 N2 H2B . . 109.2 ? H2A N2 H2B . . 117.7 ? N1 C1 C2 . . 119.48(18) ? N1 C1 C6 . . 119.95(18) ? C2 C1 C6 . . 120.54(17) ? C3 C2 C1 . . 118.41(17) ? C3 C2 C7 . . 122.75(17) ? C1 C2 C7 . . 118.81(17) ? C2 C3 C4 . . 123.40(17) ? C2 C3 H3 . . 118.3 ? C4 C3 H3 . . 118.3 ? C5 C4 C3 . . 116.10(16) ? C5 C4 C11 . . 124.22(16) ? C3 C4 C11 . . 119.66(16) ? C4 C5 C6 . . 123.76(17) ? C4 C5 Cl1 . . 118.40(14) ? C6 C5 Cl1 . . 117.81(14) ? C5 C6 C1 . . 117.77(17) ? C5 C6 C9 . . 121.62(18) ? C1 C6 C9 . . 120.57(17) ? C8 C7 C2 . . 115.95(16) ? C8 C7 H7A . . 108.3 ? C2 C7 H7A . . 108.3 ? C8 C7 H7B . . 108.3 ? C2 C7 H7B . . 108.3 ? H7A C7 H7B . . 107.4 ? C7 C8 H8A . . 109.5 ? C7 C8 H8B . . 109.5 ? H8A C8 H8B . . 109.5 ? C7 C8 H8C . . 109.5 ? H8A C8 H8C . . 109.5 ? H8B C8 H8C . . 109.5 ? C6 C9 C10 . . 111.93(17) ? C6 C9 H9A . . 109.2 ? C10 C9 H9A . . 109.2 ? C6 C9 H9B . . 109.2 ? C10 C9 H9B . . 109.2 ? H9A C9 H9B . . 107.9 ? C9 C10 H10A . . 109.5 ? C9 C10 H10B . . 109.5 ? H10A C10 H10B . . 109.5 ? C9 C10 H10C . . 109.5 ? H10A C10 H10C . . 109.5 ? H10B C10 H10C . . 109.5 ? C4 C11 C12 . . 111.77(14) ? C4 C11 H11A . . 109.3 ? C12 C11 H11A . . 109.3 ? C4 C11 H11B . . 109.3 ? C12 C11 H11B . . 109.3 ? H11A C11 H11B . . 107.9 ? C13 C12 C17 . . 116.00(17) ? C13 C12 C11 . . 124.17(16) ? C17 C12 C11 . . 119.80(16) ? C12 C13 C14 . . 123.61(17) ? C12 C13 Cl2 . . 118.97(14) ? C14 C13 Cl2 . . 117.41(14) ? C12 C13 H13 . . 118.2 ? C14 C13 H13 . . 118.2 ? C13 C14 C15 . . 118.00(17) ? C13 C14 C18 . . 122.08(18) ? C15 C14 C18 . . 119.89(18) ? N2 C15 C16 . . 119.08(18) ? N2 C15 C14 . . 120.80(18) ? C16 C15 C14 . . 120.12(18) ? C17 C16 C15 . . 118.63(17) ? C17 C16 C20 . . 119.26(18) ? C15 C16 C20 . . 122.10(18) ? C16 C17 C12 . . 123.59(17) ? C16 C17 Cl2' . . 107.0(3) ? C12 C17 Cl2' . . 129.4(3) ? C16 C17 H17 . . 118.2 ? C12 C17 H17 . . 118.2 ? C14 C18 C19 . . 113.90(17) ? C14 C18 H18A . . 108.8 ? C19 C18 H18A . . 108.8 ? C14 C18 H18B . . 108.8 ? C19 C18 H18B . . 108.8 ? H18A C18 H18B . . 107.7 ? C18 C19 H19A . . 109.5 ? C18 C19 H19B . . 109.5 ? H19A C19 H19B . . 109.5 ? C18 C19 H19C . . 109.5 ? H19A C19 H19C . . 109.5 ? H19B C19 H19C . . 109.5 ? C16 C20 C21 . . 113.45(16) ? C16 C20 H20A . . 108.9 ? C21 C20 H20A . . 108.9 ? C16 C20 H20B . . 108.9 ? C21 C20 H20B . . 108.9 ? H20A C20 H20B . . 107.7 ? C20 C21 H21A . . 109.5 ? C20 C21 H21B . . 109.5 ? H21A C21 H21B . . 109.5 ? C20 C21 H21C . . 109.5 ? H21A C21 H21C . . 109.5 ? H21B C21 H21C . . 109.5 ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Cl1 C5 . 1.7666(19) ? Cl2 C13 . 1.7614(19) ? Cl2' C17 . 1.728(6) ? N1 C1 . 1.395(2) ? N1 H1A . 0.8801 ? N1 H1B . 0.8801 ? N2 C15 . 1.389(3) ? N2 H2A . 0.8802 ? N2 H2B . 0.8799 ? C1 C2 . 1.406(3) ? C1 C6 . 1.410(3) ? C2 C3 . 1.389(2) ? C2 C7 . 1.513(3) ? C3 C4 . 1.401(2) ? C3 H3 . 0.9500 ? C4 C5 . 1.388(2) ? C4 C11 . 1.513(2) ? C5 C6 . 1.400(3) ? C6 C9 . 1.506(3) ? C7 C8 . 1.504(3) ? C7 H7A . 0.9900 ? C7 H7B . 0.9900 ? C8 H8A . 0.9800 ? C8 H8B . 0.9800 ? C8 H8C . 0.9800 ? C9 C10 . 1.529(3) ? C9 H9A . 0.9900 ? C9 H9B . 0.9900 ? C10 H10A . 0.9800 ? C10 H10B . 0.9800 ? C10 H10C . 0.9800 ? C11 C12 . 1.516(3) ? C11 H11A . 0.9900 ? C11 H11B . 0.9900 ? C12 C13 . 1.389(2) ? C12 C17 . 1.402(2) ? C13 C14 . 1.401(3) ? C13 H13 . 0.9500 ? C14 C15 . 1.415(3) ? C14 C18 . 1.511(3) ? C15 C16 . 1.407(3) ? C16 C17 . 1.386(3) ? C16 C20 . 1.517(3) ? C17 H17 . 0.9500 ? C18 C19 . 1.529(3) ? C18 H18A . 0.9900 ? C18 H18B . 0.9900 ? C19 H19A . 0.9800 ? C19 H19B . 0.9800 ? C19 H19C . 0.9800 ? C20 C21 . 1.531(3) ? C20 H20A . 0.9900 ? C20 H20B . 0.9900 ? C21 H21A . 0.9800 ? C21 H21B . 0.9800 ? C21 H21C . 0.9800 ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag N2 H2A Cg1 2_666 0.88 2.63 3.327(2) 137 yes C7 H7B Cg2 1_655 0.99 2.83 3.579(2) 133 yes C20 H20B Cg2 2_666 0.99 2.81 3.434(2) 132 yes 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_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag N1 C1 C2 C3 . . . . 176.01(17) ? C6 C1 C2 C3 . . . . -1.9(3) ? N1 C1 C2 C7 . . . . -6.0(3) ? C6 C1 C2 C7 . . . . 176.03(17) ? C1 C2 C3 C4 . . . . 1.2(3) ? C7 C2 C3 C4 . . . . -176.68(17) ? C2 C3 C4 C5 . . . . -0.1(3) ? C2 C3 C4 C11 . . . . -178.58(17) ? C3 C4 C5 C6 . . . . -0.3(3) ? C11 C4 C5 C6 . . . . 178.12(17) ? C3 C4 C5 Cl1 . . . . -178.45(13) ? C11 C4 C5 Cl1 . . . . -0.1(2) ? C4 C5 C6 C1 . . . . -0.5(3) ? Cl1 C5 C6 C1 . . . . 177.74(14) ? C4 C5 C6 C9 . . . . -178.43(18) ? Cl1 C5 C6 C9 . . . . -0.2(2) ? N1 C1 C6 C5 . . . . -176.37(17) ? C2 C1 C6 C5 . . . . 1.6(3) ? N1 C1 C6 C9 . . . . 1.6(3) ? C2 C1 C6 C9 . . . . 179.58(17) ? C3 C2 C7 C8 . . . . 6.9(3) ? C1 C2 C7 C8 . . . . -170.95(19) ? C5 C6 C9 C10 . . . . 91.6(2) ? C1 C6 C9 C10 . . . . -86.4(2) ? C5 C4 C11 C12 . . . . -102.4(2) ? C3 C4 C11 C12 . . . . 76.0(2) ? C4 C11 C12 C13 . . . . -109.95(18) ? C4 C11 C12 C17 . . . . 67.9(2) ? C17 C12 C13 C14 . . . . -0.3(2) ? C11 C12 C13 C14 . . . . 177.54(16) ? C17 C12 C13 Cl2 . . . . -179.42(12) ? C11 C12 C13 Cl2 . . . . -1.5(2) ? C12 C13 C14 C15 . . . . 2.1(3) ? Cl2 C13 C14 C15 . . . . -178.78(13) ? C12 C13 C14 C18 . . . . -175.87(16) ? Cl2 C13 C14 C18 . . . . 3.2(2) ? C13 C14 C15 N2 . . . . 177.64(16) ? C18 C14 C15 N2 . . . . -4.3(3) ? C13 C14 C15 C16 . . . . -2.3(3) ? C18 C14 C15 C16 . . . . 175.74(16) ? N2 C15 C16 C17 . . . . -179.18(16) ? C14 C15 C16 C17 . . . . 0.8(3) ? N2 C15 C16 C20 . . . . 0.0(3) ? C14 C15 C16 C20 . . . . 179.95(16) ? C15 C16 C17 C12 . . . . 1.1(3) ? C20 C16 C17 C12 . . . . -178.07(15) ? C15 C16 C17 Cl2' . . . . -179.6(2) ? C20 C16 C17 Cl2' . . . . 1.2(3) ? C13 C12 C17 C16 . . . . -1.4(2) ? C11 C12 C17 C16 . . . . -179.33(16) ? C13 C12 C17 Cl2' . . . . 179.5(3) ? C11 C12 C17 Cl2' . . . . 1.6(3) ? C13 C14 C18 C19 . . . . -96.4(2) ? C15 C14 C18 C19 . . . . 85.6(2) ? C17 C16 C20 C21 . . . . 99.5(2) ? C15 C16 C20 C21 . . . . -79.7(2) ?