#------------------------------------------------------------------------------
#$Date: 2024-12-10 04:51:12 +0200 (Tue, 10 Dec 2024) $
#$Revision: 296811 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/27/2312732.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_2312732
loop_
_publ_author_name
'Hollenwäger, Dirk'
'Bockmair, Valentin'
'Kornath, Andreas J.'
_publ_section_title
;
The crystal structures of methyl prop-2-ynoate, dimethyl fumarate and
their protonated species.
;
_journal_coeditor_code OJ3025
_journal_issue 1
_journal_name_full
'Acta crystallographica. Section C, Structural chemistry'
_journal_paper_doi 10.1107/S2053229624011653
_journal_volume 81
_journal_year 2025
_chemical_formula_iupac 'C6 H8 O4'
_chemical_formula_moiety 'C6 H8 O4'
_chemical_formula_sum 'C6 H8 O4'
_chemical_formula_weight 144.12
_chemical_name_systematic
;
Dimethyl (E)-but-2-enedioate
;
_space_group_crystal_system triclinic
_space_group_IT_number 2
_space_group_name_Hall '-P 1'
_space_group_name_H-M_alt 'P -1'
_atom_sites_solution_hydrogens mixed
_atom_sites_solution_primary direct
_atom_sites_solution_secondary difmap
_audit_creation_method SHELXL-2019/3
_cell_angle_alpha 100.642(16)
_cell_angle_beta 100.42(2)
_cell_angle_gamma 105.73(2)
_cell_formula_units_Z 1
_cell_length_a 3.8726(11)
_cell_length_b 5.6546(10)
_cell_length_c 8.3778(18)
_cell_measurement_reflns_used 712
_cell_measurement_temperature 112(2)
_cell_measurement_theta_max 32.0320
_cell_measurement_theta_min 3.9420
_cell_volume 168.30(7)
_computing_cell_refinement
;
CrysAlis PRO (Rigaku OD, 2020)
;
_computing_data_collection
;
CrysAlis PRO (Rigaku OD, 2020)
;
_computing_data_reduction
;
CrysAlis PRO (Rigaku OD, 2020)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012)
;
_computing_publication_material
;
PLATON (Spek, 2020)
;
_computing_structure_refinement
;
SHELXL2018 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature 112(2)
_diffrn_detector 'CCD plate'
_diffrn_detector_area_resol_mean 15.9809
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device 'CCD camera on \k-goniostat'
_diffrn_measurement_device_type 'Rigaku Xcalibur Sapphire3'
_diffrn_measurement_method '\w scans'
_diffrn_radiation_monochromator graphite
_diffrn_radiation_source 'Enhance (Mo) X-ray Source'
_diffrn_radiation_type 'Mo K\a'
_diffrn_radiation_wavelength 0.71073
_diffrn_reflns_av_R_equivalents 0.0152
_diffrn_reflns_av_unetI/netI 0.0247
_diffrn_reflns_limit_h_max 5
_diffrn_reflns_limit_h_min -5
_diffrn_reflns_limit_k_max 7
_diffrn_reflns_limit_k_min -5
_diffrn_reflns_limit_l_max 11
_diffrn_reflns_limit_l_min -10
_diffrn_reflns_number 1403
_diffrn_reflns_theta_full 25.242
_diffrn_reflns_theta_max 28.277
_diffrn_reflns_theta_min 4.071
_diffrn_source_current 40
_diffrn_source_voltage 50
_exptl_absorpt_coefficient_mu 0.121
_exptl_absorpt_correction_T_max 1.00000
_exptl_absorpt_correction_T_min 0.57859
_exptl_absorpt_correction_type multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Rigaku OD, 2020)
;
_exptl_crystal_colour colorless
_exptl_crystal_density_diffrn 1.422
_exptl_crystal_density_method 'not measured'
_exptl_crystal_description plate
_exptl_crystal_F_000 76
_exptl_crystal_size_max 0.523
_exptl_crystal_size_mid 0.458
_exptl_crystal_size_min 0.345
_refine_diff_density_max 0.515
_refine_diff_density_min -0.240
_refine_ls_extinction_method none
_refine_ls_goodness_of_fit_ref 1.040
_refine_ls_hydrogen_treatment mixed
_refine_ls_matrix_type full
_refine_ls_number_parameters 51
_refine_ls_number_reflns 825
_refine_ls_number_restraints 0
_refine_ls_restrained_S_all 1.040
_refine_ls_R_factor_all 0.0540
_refine_ls_R_factor_gt 0.0475
_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^)+(0.1042P)^2^+0.0039P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme calc
_refine_ls_wR_factor_gt 0.1338
_refine_ls_wR_factor_ref 0.1441
_reflns_number_gt 703
_reflns_number_total 825
_reflns_threshold_expression 'I > 2\s(I)'
_cod_data_source_file oj3025.cif
_cod_data_source_block IV
_cod_database_code 2312732
_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 0.939
_shelx_estimated_absorpt_t_max 0.959
_shelx_hkl_file
;
0 0 -1 108335. 789.332 3
0 0 3 49450.3 994.970 3
0 0 4 74441.8 1433.90 3
0 0 5 87915.2 1791.17 3
0 0 6 129325. 2448.59 3
0 0 7 298.773 224.762 3
0 0 8 23990.9 1279.71 3
0 0 9 2348.03 459.772 3
0 0 10 5127.10 694.736 3
0 0 11 22996.8 1611.68 3
0 -1 11 2207.29 519.016 3
0 -1 10 19609.1 1436.22 3
0 -1 9 1407.67 421.435 3
0 -1 8 209703. 3888.51 3
0 -1 7 54703.1 1815.50 3
0 -1 6 56224.2 1621.42 3
0 -1 5 1875.99 282.693 3
0 1 -4 34616.5 1068.07 4
0 -1 4 31998.3 988.250 3
0 -1 3 58643.8 1204.76 3
0 1 -3 61211.6 1256.43 4
0 1 -1 334183. 2234.36 4
0 1 -1 336123. 2436.17 3
0 -1 1 340855. 2270.90 4
0 1 1 78683.1 1155.68 3
0 1 1 78619.4 936.473 6
0 -1 -1 77379.9 1215.82 3
0 1 2 24757.1 700.222 3
0 1 2 25059.9 486.458 6
0 -1 -2 25541.1 539.683 6
0 -1 -3 999999. 3826.14 6
0 -1 -4 17091.5 546.305 6
0 1 4 15957.6 698.584 3
0 1 5 184494. 2574.38 3
0 -1 -5 184359. 1915.89 6
0 1 6 1586.97 297.060 3
0 1 7 12148.9 831.524 3
0 1 8 11057.4 860.140 3
0 1 9 2815.06 515.469 3
0 1 10 873.067 330.067 3
0 1 11 17280.8 1343.82 3
0 -2 11 110.694 272.261 3
0 -2 10 21411.0 1550.39 3
0 -2 9 22584.8 1461.70 3
0 -2 8-212.459 386.969 3
0 -2 7 1603.87 339.915 3
0 -2 6 2004.45 350.417 3
0 2 -6 1988.22 354.309 4
0 -2 5 227681. 3369.71 3
0 2 -5 224455. 3190.32 4
0 2 -4 32765.6 1128.68 4
0 -2 4 33025.9 1225.66 3
0 2 -3 327980. 3284.07 4
0 -2 3 334778. 3688.83 3
0 2 -2 40051.7 1063.71 4
0 2 -1 428257. 3350.75 4
0 2 0 409822. 3372.96 4
0 2 1 1822.76 256.048 3
0 2 2 94312.7 1833.62 3
0 2 2 95524.3 1533.21 6
0 2 3 157377. 2364.17 3
0 2 3 152894. 1690.55 6
0 2 4 7507.45 557.399 3
0 2 5 23211.7 1035.52 3
0 2 6 9025.20 679.123 3
0 2 7 20966.5 1102.30 3
0 2 8 3014.18 466.014 3
0 2 9-234.120 287.549 3
0 2 10-858.142 399.474 3
0 -3 11 2081.47 620.986 3
0 -3 10 4324.17 769.328 3
0 -3 9 35911.0 1918.41 3
0 3 -8 5125.56 645.921 4
0 -3 8 5398.35 727.204 3
0 3 -7 4442.52 583.900 4
0 -3 7 4453.68 651.563 3
0 -3 6 21009.7 1269.92 3
0 3 -6 18886.4 1067.32 4
0 -3 5 16871.1 1121.82 3
0 3 -5 16485.7 956.412 4
0 3 -4 2155.48 334.327 4
0 3 -3 155745. 2518.33 4
0 3 -2 18108.8 858.683 4
0 3 -1 548513. 4707.50 4
0 3 0 94167.6 2048.99 4
0 3 1 26694.8 1142.64 3
0 3 2 65494.0 1635.14 6
0 3 2 63288.5 1758.43 3
0 3 3 88387.8 2090.42 3
0 3 3 88675.2 1794.53 6
0 3 4 138282. 1851.91 6
0 3 4 145598. 2775.29 3
0 3 5 342.696 217.159 3
0 3 6 2140.02 410.448 3
0 3 7 2212.70 421.541 3
0 3 8 4232.37 578.250 3
0 3 9 17414.4 1271.20 3
0 -4 11 12907.8 1484.90 3
0 -4 10 252.301 315.725 3
0 -4 9 31277.4 1964.86 3
0 4 -9 31183.1 1701.17 4
0 -4 8 14367.1 1280.48 3
0 4 -8 14438.2 1126.75 4
0 4 -7 3236.43 524.660 4
0 -4 7 3698.61 696.544 3
0 4 -6 45374.1 1764.40 4
0 4 -5 5529.39 606.136 4
0 -4 5 3669.35 223.410 1
0 4 -4 153516. 2859.87 4
0 4 -3 34442.9 1332.34 4
0 4 -2 11580.0 791.958 4
0 -4 2 7143.06 250.974 5
0 4 -1 4344.10 503.757 4
0 4 0 126189. 2821.49 4
0 4 1 23368.0 1274.14 4
0 4 1 21887.5 1212.01 3
0 4 2 463193. 5474.31 3
0 4 2 457305. 5149.81 6
0 4 3 6366.15 659.718 3
0 4 3 7160.91 618.241 6
0 4 4 42869.7 1686.13 3
0 4 5 194.484 199.529 3
0 4 6 7388.89 784.660 3
0 4 7 19353.7 1286.12 3
0 4 8 12063.1 1044.19 3
0 5 -10 3868.83 694.089 4
0 5 -9 2852.89 608.865 4
0 5 -8 16212.9 1228.70 4
0 5 -7-127.536 215.238 4
0 5 -6 170806. 3676.19 4
0 5 -5 38727.7 1668.63 4
0 5 -4 22992.6 1209.25 4
0 5 -3 189.513 194.922 4
0 5 -2 6084.69 657.700 4
0 5 -1 18892.0 1161.24 4
0 5 0 76615.5 2551.24 4
0 5 1 2255.17 486.993 6
0 5 1 2502.51 506.630 3
0 5 1 2192.69 468.788 4
0 5 2 4790.96 663.797 3
0 5 2 3214.16 523.452 6
0 5 2 5415.47 749.392 4
0 5 3 6640.80 781.168 3
0 5 4-128.002 262.964 3
0 5 5 44030.7 1993.49 3
0 5 6 1794.03 434.761 3
0 5 7 26784.3 1650.74 3
0 6 -9 1167.64 437.893 4
0 6 -8 14376.3 1213.22 4
0 6 -7 6490.12 800.355 4
0 6 -6 434.410 220.079 4
0 6 -5-238.130 333.958 4
0 6 -4 403.998 219.167 4
0 6 -3 31829.1 1608.87 4
0 6 -2 9176.29 904.245 4
0 6 -1 34759.1 1817.34 4
0 6 0 1432.87 464.583 4
0 6 0 1181.06 430.033 3
0 6 1 15289.4 1349.60 3
0 6 1 16480.3 1388.57 4
0 6 2 21430.6 1617.71 4
0 6 2 21053.9 1518.94 3
0 6 3 436.924 349.004 4
0 6 3 148.679 241.853 3
0 6 4 1796.98 464.825 3
0 6 5 8913.56 998.050 3
0 7 -7 14048.3 1252.48 4
0 7 -6 3498.87 624.899 4
0 7 -5 3297.48 602.537 4
0 7 -4 1471.68 405.489 4
0 7 -3 1871.88 450.268 4
0 7 -2-253.447 287.385 4
0 7 -1 2968.25 631.287 4
0 7 -1 3521.44 713.313 3
0 7 0 10095.2 1187.84 3
0 7 0 10600.5 1145.98 4
0 7 1 21788.3 1710.25 3
0 7 1 20224.2 1603.67 4
0 7 2 5776.72 905.431 3
0 8 -4 10522.1 1125.42 4
0 8 -3 1621.05 487.216 4
0 8 -2 32304.6 2281.32 6
0 8 -2 41425.1 2248.59 4
-1 8 0 5848.98 984.524 6
-1 8 -1 11936.4 1408.53 3
-1 8 -1 6759.65 1039.08 6
-1 8 -2-179.574 388.643 6
-1 8 -3 430.173 341.417 6
-1 8 -4 731.365 334.983 4
-1 8 -4-48.5441 435.207 6
-1 8 -5 32.2860 231.217 4
-1 8 -6 1120.35 385.255 4
-1 7 4 5273.20 758.154 3
-1 7 3 446.521 327.323 3
-1 7 2-135.703 289.027 3
-1 7 2-539.562 508.589 6
-1 7 1 11038.4 1228.19 6
-1 7 1 15213.0 1407.23 3
-1 7 0 4034.66 750.883 6
-1 7 0 5639.76 857.270 3
-1 7 -1 3274.92 498.042 4
-1 7 -1 2235.89 612.743 6
-1 7 -2 14320.9 1023.02 4
-1 7 -2 11185.1 1235.04 6
-1 7 -3 1671.89 383.452 4
-1 7 -4 16949.8 1214.28 4
-1 7 -5 231.475 220.335 4
-1 7 -6-295.231 234.044 4
-1 7 -7 721.341 331.913 4
-1 7 -8 1011.09 384.123 4
-1 6 6 26629.3 1645.17 3
-1 6 5-66.3942 230.077 3
-1 6 4 42775.2 1975.80 3
-1 6 3 486.475 335.381 3
-1 6 3-8.63162 306.589 6
-1 6 2 3842.58 638.611 3
-1 6 2 2939.13 619.854 6
-1 6 1 511.074 203.709 4
-1 6 1 423.522 337.208 6
-1 6 1 884.493 330.868 3
-1 6 0-40.7457 177.913 4
-1 6 0 169.632 297.300 6
-1 6 -1 23759.6 1596.17 6
-1 6 -1 24191.1 1165.04 4
-1 6 -2 24249.6 1201.03 4
-1 6 -3 2540.90 444.745 4
-1 6 -4-143.587 217.929 4
-1 6 -5 4339.19 589.130 4
-1 6 -6 7556.00 805.657 4
-1 6 -7 69970.9 2537.27 4
-1 6 -8 1762.93 494.520 4
-1 6 -9 5113.76 773.362 4
-1 5 8 2584.88 484.795 3
-1 5 7 6444.62 793.752 3
-1 5 6 31715.3 1627.66 3
-1 5 5 10932.6 933.652 3
-1 5 4-46.0705 194.109 6
-1 5 4 360.588 212.363 3
-1 5 3 33959.3 1623.67 3
-1 5 3 34158.1 1475.60 4
-1 5 3 33212.6 1645.95 6
-1 5 2-68.0718 190.288 4
-1 5 2 0.44121 249.528 6
-1 5 2-178.577 254.722 3
-1 5 2 8.09870 117.223 1
-1 5 1 269837. 4726.88 6
-1 5 1 263962. 2823.00 1
-1 5 1 269333. 3519.79 4
-1 5 0 45391.7 927.267 1
-1 5 0 42504.6 1920.00 6
-1 5 -1 35302.3 1265.76 4
-1 5 -2 94.3760 141.668 4
-1 5 -3 3253.87 441.374 4
-1 5 -4 8160.18 714.177 4
-1 5 -5 82752.7 2335.42 4
-1 5 -6 8492.96 807.838 4
-1 5 -7 18708.8 1234.11 4
-1 5 -8 1619.98 442.559 4
1 -5 9 3841.02 819.302 3
1 -5 10 11414.0 1369.37 3
-1 4 9 42383.4 1965.62 3
-1 4 8 34444.2 1633.47 3
-1 4 7 4305.94 575.571 3
-1 4 6 1302.50 324.507 3
-1 4 5 3618.74 434.490 6
-1 4 5 3904.19 515.227 3
-1 4 4 335.850 175.786 3
-1 4 4 575.215 199.682 6
-1 4 3 140699. 2934.34 3
-1 4 3 142134. 3009.93 6
-1 4 2 136205. 2332.84 4
-1 4 2 134829. 2757.07 3
-1 4 1 33730.6 965.345 1
-1 4 1 35390.2 1519.12 6
-1 4 1 33395.7 1067.29 4
-1 4 0 32165.0 775.252 1
-1 4 0 34286.2 1084.35 4
-1 4 0 31014.7 1440.68 6
-1 4 -1 29105.3 980.356 4
-1 4 -2 159648. 2504.98 4
1 -4 3 26423.5 498.028 1
-1 4 -3 28545.0 1144.89 4
-1 4 -4 22380.4 1062.57 4
-1 4 -5 3375.10 370.677 5
1 -4 5 3009.96 541.335 3
-1 4 -5 2965.25 437.303 4
1 -4 6 3869.71 656.543 3
-1 4 -6 2613.63 347.559 5
-1 4 -6 3285.55 479.058 4
-1 4 -7 3926.44 564.380 4
1 -4 7 3571.04 665.616 3
1 -4 8 1030.86 418.479 3
1 -4 9 3465.28 696.602 3
1 -4 10 11510.4 1302.05 3
-1 3 10 27028.8 1590.17 3
-1 3 9-390.417 289.551 3
-1 3 8 474.861 221.257 3
-1 3 7 5855.59 575.463 3
-1 3 6 21158.3 1063.40 3
-1 3 5 14625.6 842.295 3
-1 3 4 9100.11 611.538 6
-1 3 4 9682.74 645.368 3
-1 3 3 104.693 134.017 3
-1 3 3-35.8946 189.492 6
-1 3 2 97954.6 2044.05 3
-1 3 2 97557.2 1600.65 4
-1 3 2 94957.4 2157.21 6
-1 3 1 23339.6 1059.47 6
-1 3 1 22145.1 705.691 4
-1 3 1 22442.5 736.735 1
-1 3 0 334.905 193.420 6
-1 3 0 259.158 110.142 4
-1 3 -1 132508. 1848.13 4
-1 3 -2 77793.3 1583.23 4
1 -3 2 74954.5 1040.08 1
-1 3 -3 55143.7 1444.68 4
1 -3 3 57972.1 1855.23 3
-1 3 -3 53502.1 1282.45 5
1 -3 4 88646.3 2386.37 3
-1 3 -4 82707.4 1987.44 4
-1 3 -4 84838.3 1701.32 5
1 -3 5 4027.60 567.450 3
-1 3 -5 3725.57 467.037 4
1 -3 6 72660.3 2336.11 3
1 -3 7 307.138 238.903 3
1 -3 8 469.747 274.498 3
1 -3 9 1280.01 455.923 3
1 -3 10 5408.87 890.628 3
1 -3 11 10699.1 1309.72 3
-1 2 11 817.048 324.254 3
-1 2 10 22537.8 1379.82 3
-1 2 9 301.126 222.694 3
-1 2 8 4389.19 517.738 3
-1 2 7 15753.7 881.391 3
-1 2 6 10569.1 649.199 3
-1 2 5 31219.0 1039.42 3
-1 2 4 238361. 2677.29 3
-1 2 4 240149. 2736.15 6
-1 2 3 2166.20 238.225 3
-1 2 3 1858.29 265.181 6
-1 2 2 874250. 5326.17 6
-1 2 1 57444.3 1376.69 6
-1 2 1 55780.4 1067.27 1
-1 2 0 53771.3 1297.52 6
1 -2 0 55630.8 935.158 4
-1 2 0 54471.8 953.681 1
-1 2 0 53604.9 829.298 4
1 -2 0 53660.9 991.087 1
-1 2 -1 21432.6 747.841 5
-1 2 -1 24459.5 927.282 6
1 -2 1 26256.3 707.123 4
1 -2 1 22415.0 609.753 1
-1 2 -1 24414.8 693.958 4
-1 2 -2 52136.2 1185.24 5
-1 2 -2 55096.2 1231.20 4
1 -2 3 275958. 3276.57 3
-1 2 -3 275024. 3130.42 4
-1 2 -3 281376. 2228.55 7
1 -2 4 89471.7 1991.65 3
1 -2 5 7747.47 626.009 3
1 -2 6 799.649 221.806 3
1 -2 7 11381.8 903.922 3
1 -2 8 14614.4 1136.42 3
1 -2 9 95856.7 3121.28 3
1 -2 10 385.858 353.418 3
1 -2 11 7972.01 1070.21 3
-1 1 11 2105.10 506.879 3
-1 1 10 37291.0 1735.22 3
-1 1 9 12076.0 922.785 3
-1 1 8 3763.42 492.314 3
-1 1 7 19437.8 985.149 3
-1 1 6 2524.04 337.489 3
1 -1 -5 93481.6 1872.55 7
-1 1 5 89882.3 1668.25 3
1 -1 -4 222476. 2522.26 7
1 -1 -4 219761. 1770.33 2
-1 1 4 221864. 2231.99 3
-1 1 3 103766. 1305.57 3
1 -1 -3 104327. 1545.95 7
-1 1 3 99525.3 1316.09 4
1 -1 -3 103938. 1211.27 2
1 -1 -2 70277.6 992.618 2
-1 1 2 70573.8 881.413 3
-1 1 2 68645.2 1241.85 6
1 -1 -2 70307.8 1193.65 7
-1 1 2 70490.9 1302.45 1
1 -1 -2 68115.9 1031.24 3
1 -1 -1 559271. 2834.24 2
1 -1 -1 561161. 3071.69 7
-1 1 1 557630. 3314.08 1
-1 1 1 563874. 3511.67 6
1 -1 -1 556287. 3478.61 1
1 -1 0 4177.06 255.030 2
1 -1 0 4643.37 354.231 6
-1 1 0 5577.02 352.891 5
1 -1 0 4181.05 336.993 5
1 -1 0 3373.20 252.788 1
-1 1 0 4677.74 323.049 6
1 -1 0 2828.44 188.660 3
1 -1 0 6079.90 329.654 7
1 -1 2 363147. 1973.87 7
-1 1 -2 368025. 2836.18 6
1 -1 2 372492. 2699.11 3
1 -1 2 366435. 2262.04 2
1 -1 3 275393. 2635.48 3
1 -1 3 277308. 1937.06 2
1 -1 4 78.5835 107.289 3
1 -1 5 27903.8 1094.36 3
1 -1 6 17533.4 965.527 3
1 -1 7 79864.9 2250.14 3
1 -1 8 2099.60 456.452 3
1 -1 9 15000.2 1197.66 3
1 -1 10 1799.51 498.642 3
1 -1 11 1803.62 533.029 3
-1 0 12 7260.98 970.390 3
-1 0 11 9528.12 1031.27 3
-1 0 10 6544.38 791.945 3
-1 0 9 29631.7 1491.11 3
-1 0 8 13065.5 902.638 3
-1 0 7 287217. 3708.18 3
1 0 -7 281969. 2929.57 7
1 0 -6 166842. 2080.97 7
-1 0 6 170176. 2559.61 3
-1 0 5 107655. 1763.51 3
-1 0 5 105237. 1187.77 2
1 0 -4 158.233 93.5479 4
-1 0 4 298.160 76.5427 2
-1 0 4-6.76356 63.9549 3
-1 0 3 66536.7 1249.57 4
1 0 -3 67373.2 976.242 3
-1 0 3 68811.1 1027.70 3
-1 0 2 312.584 69.1495 3
1 0 -2 790.300 126.687 4
-1 0 2 522.995 106.599 4
1 0 -2 719.275 81.3900 3
-1 0 2 613.729 130.891 1
-1 0 0 637139. 3690.24 5
1 0 0 639695. 3027.31 6
-1 0 -1 125128. 1399.61 3
1 0 1 128328. 1252.65 6
1 0 1 124716. 1319.74 3
1 0 2 117636. 1491.15 3
-1 0 -2 114052. 985.712 6
-1 0 -3 22816.0 548.491 2
1 0 3 23738.7 791.345 3
1 0 4 269499. 3055.21 3
-1 0 -4 270567. 1930.07 2
1 0 5 36008.1 1254.05 3
1 0 6 52791.1 1703.19 3
1 0 7 3351.82 482.443 3
1 0 8 3898.03 573.224 3
1 0 9 3563.90 580.150 3
1 0 10 472.693 316.285 3
-1 -1 12 778.711 365.944 3
-1 -1 11 1736.27 459.857 3
-1 -1 10 69.9865 259.823 3
-1 -1 9 28751.1 1508.06 3
-1 -1 8 62792.0 2051.49 3
1 1 -8 62068.3 1299.72 7
-1 -1 7 219.289 82.3622 2
1 1 -7 135.936 169.970 4
1 1 -6 22947.0 1004.44 4
-1 -1 6 21625.0 1008.49 3
1 1 -5 7952.16 558.394 4
-1 -1 5 7935.54 562.321 3
-1 -1 4 348343. 3440.72 3
1 1 -4 346435. 3418.93 4
-1 -1 4 347315. 3409.32 1
-1 -1 3 139554. 1998.93 3
1 1 -3 142116. 2138.40 4
-1 -1 3 141141. 1900.77 1
1 1 -2 373314. 3087.10 3
-1 -1 2 374523. 2754.46 1
1 1 -2 366415. 3508.03 4
1 1 -2 374938. 2574.94 5
1 1 -1 148.530 71.5602 1
-1 -1 1 182.902 93.9888 5
1 1 0 375737. 2992.58 3
1 1 1 174417. 2122.38 3
1 1 2 4948.88 410.515 3
1 1 3 68695.2 1560.20 3
1 1 4 61352.3 1570.63 3
1 1 5 25610.9 1098.12 3
1 1 6 13525.5 867.783 3
1 1 7 4161.78 549.030 3
1 1 8 14616.5 1089.50 3
1 1 9 323.270 234.924 3
1 1 10 46.4954 286.539 3
-1 -2 12 4261.78 863.259 3
-1 -2 11 5814.48 899.685 3
-1 -2 10 2313.63 570.359 3
1 2 -9 2069.35 434.069 4
-1 -2 9 1913.15 452.766 3
1 2 -8 64584.4 2114.16 4
-1 -2 8 62114.6 2180.44 3
-1 -2 7 2496.76 447.857 3
1 2 -7 2747.16 443.687 4
-1 -2 6 8724.06 762.076 3
-1 -2 6 10098.4 717.472 1
1 2 -6 10308.5 775.406 4
-1 -2 5 59557.5 1856.53 3
1 2 -5 60107.6 1740.90 4
-1 -2 5 61788.8 1546.87 1
1 2 -4 21309.1 635.075 5
-1 -2 4 21852.0 800.311 1
1 2 -4 20758.3 977.398 4
-1 -2 3 68405.7 1208.08 1
1 2 -3 71373.1 1812.82 4
1 2 -2 344429. 4015.38 4
-1 -2 2 339145. 2415.50 5
1 2 -1 622.629 159.694 4
1 2 0 624521. 4908.39 3
1 2 1 111942. 2158.63 3
1 2 2 10529.9 690.004 3
1 2 3 23134.8 1061.66 3
1 2 4 24793.6 1158.67 3
1 2 5 88988.1 2289.45 3
1 2 6 4945.15 579.309 3
1 2 7 316.939 238.489 3
1 2 8 1890.25 419.558 3
1 2 9 1041.99 369.988 3
-1 -3 12 771.684 397.892 3
-1 -3 11 57.8309 291.610 3
-1 -3 10 25038.4 1787.12 3
-1 -3 10 29780.6 1737.17 1
1 3 -10 26654.9 1604.39 4
-1 -3 9 3182.02 558.205 1
-1 -3 9 1729.49 501.560 3
1 3 -9 2491.30 532.246 4
-1 -3 8 59522.4 2382.69 3
-1 -3 8 65505.8 2153.50 1
1 3 -8 61050.2 2205.39 4
-1 -3 7 38771.0 1863.72 3
-1 -3 7 40315.7 1501.25 1
1 3 -7 39896.2 1746.86 4
-1 -3 6 7138.91 547.928 1
1 3 -6 7440.97 731.663 4
-1 -3 5 61705.3 1326.76 1
1 3 -5 61236.9 1896.12 4
1 3 -4 72.6288 191.940 4
1 3 -3 166492. 3040.86 4
-1 -3 2 104531. 1337.87 5
1 3 -2 103656. 2552.31 4
1 3 -1 25697.0 1302.48 4
1 3 0 13338.6 885.884 3
1 3 1 108685. 2462.63 3
1 3 2 1923.06 396.795 3
1 3 3 342641. 2866.34 6
1 3 3 345205. 4521.70 3
1 3 4 24344.1 1271.13 3
1 3 5 31163.2 1508.99 3
1 3 6-7.68278 226.598 3
1 3 7 2748.46 513.179 3
1 3 8 9127.23 954.824 3
1 4 -11 8879.23 1063.15 4
1 4 -10 14562.1 1302.66 4
1 4 -9 9257.82 998.169 4
1 4 -8 9499.77 954.981 4
1 4 -7 32408.3 1661.61 4
1 4 -6 8693.47 845.842 4
1 4 -5 267919. 4297.00 4
1 4 -4 135314. 3175.85 4
1 4 -3 47193.6 1827.19 4
-1 -4 2 1966.38 204.850 5
1 4 -2 2144.76 472.263 4
1 4 -1 10040.8 943.958 4
1 4 0 7024.51 813.843 4
1 4 0 6814.84 746.361 3
1 4 1 80035.0 2427.62 3
1 4 2 12701.5 1007.20 3
1 4 3 5924.85 684.099 3
1 4 4 7076.44 787.790 3
1 4 5-223.525 206.182 3
1 4 6 25408.8 1560.68 3
1 4 7 5102.60 743.738 3
1 5 -10 337.017 272.606 4
1 5 -9 1320.59 467.355 4
1 5 -8 355.729 280.844 4
1 5 -7 22748.5 1480.11 4
1 5 -6 25762.0 1496.14 4
1 5 -5 407.516 233.021 4
1 5 -4 2689.13 509.049 4
1 5 -3-23.7310 257.166 4
1 5 -2 46588.9 2174.26 4
1 5 -1 27105.1 1760.93 4
1 5 0 36682.2 2030.15 4
1 5 0 36688.8 1961.50 3
1 5 1 382.376 240.977 3
1 5 1 298.656 283.124 4
1 5 2 16043.0 1283.20 3
1 5 3 12221.6 1085.56 3
1 5 4 820.399 343.196 3
1 5 5 4131.80 676.766 3
1 6 -8 3982.15 727.756 4
1 6 -7 337.810 263.204 4
1 6 -6 27822.8 1697.23 4
1 6 -5 3815.39 668.957 4
1 6 -4 9115.29 1043.22 4
1 6 -3 5528.68 842.523 4
1 6 -2 3700.35 722.643 4
1 6 -1 2491.00 596.243 3
1 6 -1 2231.35 599.625 4
1 6 0 10285.9 1161.20 3
1 6 0 8407.83 1089.73 4
1 6 1 5075.74 854.533 4
1 6 1 4653.43 787.187 3
1 6 2 23609.9 1841.98 4
1 6 2 26290.2 1783.55 3
1 6 3 4157.40 833.730 4
1 6 3 4902.47 770.252 3
1 6 4 26.7576 398.225 4
1 7 -6 21332.4 1647.11 4
1 7 -5 12977.4 1275.69 4
1 7 -4-4.22710 309.720 4
1 7 -3 13465.9 1429.76 4
1 7 -2 872.664 471.154 3
1 7 -2 608.360 402.102 4
1 7 -1 58001.9 2969.48 3
1 7 -1 51935.9 2730.16 4
1 7 0 8927.41 1207.39 4
1 7 1-21.4940 350.452 4
-2 8 2-572.527 491.241 6
-2 8 1-14.7492 312.024 3
-2 8 1-1496.27 782.479 6
-2 8 0 7198.21 1029.40 3
-2 8 0 4241.27 848.839 6
-2 8 -1 738.116 482.648 6
-2 8 -2 1981.54 583.044 6
-2 8 -3 1889.66 639.387 6
-2 7 5 16098.0 1298.38 3
-2 7 4 627.157 297.847 3
-2 7 3 23501.8 1751.67 6
-2 7 3 28087.0 1725.30 3
-2 7 2 315.436 319.037 6
-2 7 2 505.081 294.942 3
-2 7 1 859.463 324.847 3
-2 7 1 669.523 376.394 6
-2 7 0-239.952 386.192 6
-2 7 -1-131.669 399.962 6
-2 7 -2 8318.49 1091.24 6
-2 7 -3 14545.3 1471.59 6
-2 7 -4 849.398 283.806 4
-2 7 -4 526.618 385.446 6
-2 7 -5 124.903 185.059 4
-2 7 -5-818.180 614.329 6
-2 7 -6 789.749 332.299 4
-2 7 -6 459.213 423.300 6
-2 7 -7 2304.97 775.113 6
-2 6 6 1421.38 403.136 3
-2 6 5 30350.7 1633.63 3
-2 6 4 10222.0 1065.06 6
-2 6 4 11513.0 991.873 3
-2 6 3 311.020 255.573 3
-2 6 3 355.835 342.983 6
-2 6 2 12149.3 1191.03 6
-2 6 2 15014.8 1165.38 3
-2 6 1 1333.93 417.843 3
-2 6 1 1214.06 534.440 6
-2 6 0 100811. 3408.78 6
-2 6 -1 42273.0 2231.48 6
-2 6 -1 45803.0 1427.75 4
-2 6 -2 6084.30 911.505 6
-2 6 -2 5869.33 552.496 4
-2 6 -3 137.556 147.346 4
-2 6 -3-384.226 403.043 6
-2 6 -4 640.122 236.683 4
-2 6 -4 260.379 327.693 6
-2 6 -5 1511.81 370.694 4
-2 6 -5 2417.98 636.756 6
-2 6 -6 37853.9 2370.41 6
-2 6 -7 4684.51 916.821 6
-2 6 -8 6487.32 1075.67 6
-2 6 -9 342.257 413.307 6
-2 5 8 31074.9 1605.83 3
-2 5 8 29205.9 2140.07 1
-2 5 7 54053.5 2712.61 1
-2 5 7 51768.4 2012.18 3
-2 5 6 1001.79 410.241 1
-2 5 6 931.598 306.868 3
-2 5 5 257.644 222.418 3
-2 5 5 485.161 257.123 1
-2 5 5 503.260 293.794 6
-2 5 4 1980.04 384.264 3
-2 5 4 1436.63 353.850 1
-2 5 4 1532.22 408.356 6
-2 5 3 1177.86 282.802 3
-2 5 3 1182.16 408.037 6
-2 5 3 1010.82 265.400 1
-2 5 2 79283.8 2354.30 3
-2 5 2 73860.5 2587.79 6
-2 5 1 84288.2 2779.34 6
-2 5 1 86305.5 1809.56 1
-2 5 0 7508.09 892.697 6
-2 5 0 6910.84 450.116 4
-2 5 -1 14114.0 1198.15 6
-2 5 -1 14154.6 702.083 4
-2 5 -2 5356.30 802.213 6
-2 5 -2 4976.91 485.419 4
-2 5 -3 30524.8 1819.75 6
-2 5 -3 28337.8 1159.73 4
-2 5 -4 24986.5 1696.03 6
-2 5 -4 22507.4 1114.01 4
-2 5 -5 639.330 388.498 6
-2 5 -6 4402.59 795.596 6
2 -5 7-423.442 398.710 3
-2 5 -7-1453.87 513.616 6
-2 5 -8-182.115 310.526 6
2 -5 8 338.919 322.168 3
2 -5 9 22.5936 298.802 3
-2 4 9 42822.9 2542.22 1
-2 4 8 312.578 313.480 1
-2 4 8-155.971 222.918 3
-2 4 7 2425.42 580.465 1
-2 4 7 2715.17 406.081 3
-2 4 6 5721.94 575.081 3
-2 4 6 5013.77 734.816 1
-2 4 5 15492.7 1133.51 1
-2 4 5 16169.9 922.431 3
-2 4 5 14341.2 991.570 6
-2 4 4 18668.3 956.597 3
-2 4 4 17552.0 1052.20 1
-2 4 4 17063.3 1085.74 6
-2 4 3 283.969 187.973 3
-2 4 3 373.041 222.201 6
-2 4 3 601.242 211.203 1
-2 4 2 99.7732 46.3866 4
-2 4 2 306.307 185.998 3
-2 4 2 484.880 195.425 1
-2 4 1 16926.4 1090.87 6
-2 4 1 16305.1 769.834 1
-2 4 1 18902.1 531.525 4
-2 4 0 3355.71 548.341 6
-2 4 0 3241.22 279.923 4
-2 4 -1 96.4304 109.840 4
-2 4 -1-59.5732 240.634 6
-2 4 -2 35390.0 1694.72 6
-2 4 -3 10524.1 985.867 6
2 -4 4 25245.9 1502.44 3
-2 4 -4 21638.3 1423.01 6
-2 4 -4 25282.9 1275.85 5
2 -4 5 12243.6 1097.08 3
-2 4 -5 10230.4 1004.91 6
-2 4 -5 11413.3 878.898 5
2 -4 6 1545.75 448.408 3
-2 4 -6 1946.46 505.894 6
-2 4 -6 1846.04 403.062 5
-2 4 -7 16421.7 1149.49 5
2 -4 7 17348.1 1397.91 3
-2 4 -8-287.193 389.328 6
2 -4 8-741.725 369.828 3
-2 4 -8 419.366 289.469 5
2 -4 9-304.349 343.476 3
2 -4 10 242.313 407.083 3
-2 3 10 547.065 424.650 1
-2 3 9 18623.3 1140.85 3
-2 3 8 241.923 176.341 3
-2 3 7 3783.88 641.000 1
-2 3 7 4255.99 453.283 3
-2 3 6 15947.4 1151.81 1
-2 3 6 14170.1 740.080 3
-2 3 5 4782.04 423.824 3
-2 3 5 4617.75 585.343 1
-2 3 4 33492.7 1348.78 6
-2 3 4 34717.2 1402.53 1
-2 3 4 35725.7 1079.81 3
-2 3 3 108315. 2433.14 6
-2 3 3 112432. 1854.26 3
-2 3 3 110540. 2233.99 1
-2 3 2 7540.76 561.419 1
-2 3 2 7765.97 700.332 6
-2 3 2 9375.51 569.368 3
-2 3 1 224997. 3448.06 6
-2 3 1 231373. 2795.20 1
-2 3 0 36744.8 1424.23 6
2 -3 0 37232.0 895.029 4
-2 3 -1 8526.26 726.061 6
-2 3 -2 809.619 237.998 5
-2 3 -2 1223.44 341.484 6
2 -3 2 746.713 186.719 3
-2 3 -3 2925.35 465.367 6
-2 3 -3 2860.13 421.479 5
2 -3 3 2686.34 415.380 3
-2 3 -4 53459.3 1752.56 5
-2 3 -4 53709.6 1935.57 6
2 -3 4 54062.6 1885.59 3
-2 3 -5 38090.6 1650.01 6
2 -3 5 38516.2 1648.83 3
-2 3 -6 1558.42 395.593 6
2 -3 6 2420.19 483.525 3
-2 3 -7 228.044 223.859 6
2 -3 7 358.013 236.022 3
2 -3 8 1422.92 442.969 3
2 -3 9 3622.55 697.968 3
2 -3 10 31510.6 2101.04 3
-2 2 10 10414.6 881.323 3
-2 2 9 39447.2 1568.43 3
-2 2 8 19782.0 1026.71 3
-2 2 7 2574.40 501.950 1
-2 2 7 2729.23 352.535 3
-2 2 6 7172.95 724.019 1
2 -2 -6 6886.04 671.768 7
-2 2 6 8068.80 540.197 3
2 -2 -5 5839.72 557.680 7
-2 2 5 6975.20 432.050 3
-2 2 5 7008.01 664.678 1
2 -2 -4 27626.9 1163.44 7
-2 2 4 29874.0 766.135 3
-2 2 4 29297.9 1212.34 1
-2 2 3 136724. 2448.15 1
-2 2 3 134933. 2417.20 6
2 -2 -3 134300. 2345.69 7
-2 2 3 134784. 1447.02 3
2 -2 -2 90044.4 1815.13 7
-2 2 2 87045.0 1963.44 6
-2 2 2 87629.4 1087.58 3
-2 2 1 22748.1 992.634 6
2 -2 -1 23628.0 913.817 7
2 -2 -1 20456.7 410.661 4
-2 2 1 20485.1 567.175 3
-2 2 1 24708.5 930.244 1
2 -2 0 158030. 2244.01 7
2 -2 0 147774. 1584.58 4
-2 2 0 149930. 1555.56 3
-2 2 0 154983. 2575.41 6
-2 2 -1 91.8809 203.499 6
-2 2 -1-292.936 318.742 5
-2 2 -2 699417. 5626.52 6
-2 2 -2 697998. 5840.97 5
2 -2 2 702027. 4572.22 7
2 -2 2 703546. 5025.46 3
-2 2 -3 185410. 3049.89 6
2 -2 3 179843. 2291.94 7
2 -2 3 188303. 2799.58 3
-2 2 -4 41973.5 1494.66 6
2 -2 4 45940.5 1487.60 3
2 -2 5 251.862 176.768 3
-2 2 -5 459.736 245.579 6
-2 2 -6 3522.77 476.428 6
2 -2 6 3221.22 478.940 3
2 -2 7 4203.63 598.422 3
2 -2 8 40005.7 1971.10 3
2 -2 9 2867.16 606.145 3
2 -2 10 7196.21 1011.12 3
-2 1 11 12857.3 1433.31 1
-2 1 10 18381.9 1568.76 1
-2 1 10 16617.0 1157.24 3
-2 1 9 10763.5 1102.63 1
-2 1 9 10602.5 845.516 3
2 -1 -8 24395.2 1228.65 7
-2 1 8 23904.4 1471.23 1
-2 1 8 25222.3 1147.66 3
2 -1 -7 29451.4 1226.45 7
-2 1 7 31442.3 1152.62 3
-2 1 7 27980.1 1446.05 1
2 -1 -6 218930. 3165.83 7
-2 1 6 221432. 3751.69 1
-2 1 6 220978. 2700.41 3
2 -1 -5 238384. 3136.69 7
-2 1 5 237176. 2409.45 3
-2 1 5 238350. 3614.93 1
-2 1 4 43757.1 971.390 4
-2 1 4 47564.0 1192.29 2
2 -1 -4 44579.9 1053.47 3
-2 1 4 46052.4 864.244 3
2 -1 -4 47466.5 903.726 4
-2 1 4 49557.0 1549.42 1
2 -1 -3 528.167 98.2348 4
-2 1 3 882.391 224.918 1
-2 1 3 686.595 164.637 2
-2 1 2 11337.8 570.493 2
-2 1 2 12563.4 695.296 1
2 -1 -2 11781.9 506.536 4
-2 1 1 953.608 204.353 2
-2 1 1 266.229 200.733 6
-2 1 0 381031. 3547.09 6
-2 1 0 372791. 2032.43 3
-2 1 0 379702. 4184.71 5
2 -1 0 374905. 2235.16 3
-2 1 0 375949. 3213.96 2
-2 1 -1 267375. 2731.35 2
-2 1 -1 273141. 2956.63 6
-2 1 -1 270783. 3480.03 5
2 -1 1 263331. 2208.32 3
-2 1 -2 23560.8 869.248 6
-2 1 -2 22382.3 810.867 2
2 -1 2 20889.4 727.115 3
-2 1 -3 52996.0 1259.46 2
-2 1 -3 51921.9 1254.76 6
2 -1 3 53608.0 1342.40 3
-2 1 -4 3109.55 318.509 6
2 -1 4 3045.64 370.367 3
-2 1 -5 48429.3 1136.07 6
2 -1 5 51021.9 1622.87 3
2 -1 6 26475.9 1299.76 3
2 -1 7 7455.15 762.415 3
2 -1 8 5398.40 708.849 3
2 -1 9 111.752 223.596 3
2 -1 10 1103.34 447.141 3
-2 0 11 1077.00 464.744 1
-2 0 11 53.0545 262.487 3
-2 0 10 3716.01 692.254 1
-2 0 10 4315.81 618.300 3
-2 0 9 1793.27 473.469 1
2 0 -9 1729.21 329.283 7
-2 0 9 1418.96 337.229 3
2 0 -8 24604.8 1105.57 7
-2 0 8 25436.5 1458.39 1
-2 0 8 25266.0 1226.53 3
-2 0 7 120563. 1940.22 2
2 0 -7 116178. 2279.36 4
-2 0 7 119133. 2893.50 1
-2 0 7 117246. 2384.37 3
2 0 -6 1000.49 231.490 4
-2 0 6 454.509 235.848 1
-2 0 6 926.246 184.066 2
-2 0 6 606.751 168.842 3
2 0 -5 40147.1 1172.67 4
-2 0 5 39692.1 1076.93 2
-2 0 5 36458.4 1107.94 3
-2 0 5 41121.1 1473.21 1
-2 0 4 1149.46 185.114 3
2 0 -4 1294.05 142.686 3
2 0 -4 1532.24 227.545 4
-2 0 4 1490.34 272.864 1
-2 0 4 1581.05 231.974 2
-2 0 3 222889. 3020.41 1
2 0 -3 218391. 1450.74 3
2 0 -3 218679. 2791.56 4
2 0 -2 128711. 2128.71 4
2 0 -2 127276. 1143.91 3
2 0 -2 128504. 1032.51 3
2 0 -1 89119.3 1032.09 3
-2 0 1 85802.3 1944.60 5
2 0 0 2985.26 238.164 3
-2 0 0 2386.89 333.551 5
2 0 1 47885.4 1025.08 3
2 0 2 23180.4 818.204 3
-2 0 -2 24556.3 868.253 2
2 0 3 2593.67 329.030 3
-2 0 -3 2455.75 288.418 2
2 0 4 29262.9 1161.08 3
-2 0 -4 27141.2 895.629 2
-2 0 -5 12863.9 627.710 2
2 0 5 13558.8 881.661 3
2 0 6 19780.7 1163.12 3
2 0 7 2078.35 410.977 3
2 0 8 1586.18 403.014 3
2 0 9 7111.00 900.221 3
-2 -1 12 637.408 368.186 1
-2 -1 11 6241.99 925.766 1
-2 -1 11 6884.33 929.910 3
-2 -1 10 9017.88 1037.76 1
-2 -1 10 9387.63 984.830 3
2 1 -9 1578.03 367.636 4
-2 -1 9 1512.00 431.229 1
-2 -1 9 1809.22 435.100 3
2 1 -8 637.878 240.211 4
-2 -1 8 883.163 200.966 2
-2 -1 8 771.970 323.105 1
-2 -1 8 336.303 216.170 3
2 1 -7 68104.0 1934.01 4
-2 -1 7 64647.9 2118.31 1
-2 -1 7 63782.7 2028.80 3
2 1 -6 381.273 185.978 4
-2 -1 6 265.135 182.207 3
-2 -1 6 539.008 256.774 1
-2 -1 5 10930.7 767.007 1
2 1 -5 10568.6 719.902 4
-2 -1 4 76634.2 1820.09 1
2 1 -4 79543.5 2060.53 4
2 1 -3 14266.8 878.332 4
2 1 -2 79133.8 2009.60 4
-2 -1 2 79453.7 1851.65 5
2 1 -1 148575. 2091.79 3
-2 -1 1 140504. 2430.64 5
2 1 0 5732.11 441.803 3
2 1 1 206501. 2756.88 3
2 1 2 46832.3 1043.66 6
2 1 2 51361.6 1446.53 3
2 1 3 1474.54 292.261 3
2 1 4 1920.61 322.666 3
2 1 5 3589.48 489.672 3
-2 -1 -5 4015.95 389.690 2
2 1 6 38547.2 1677.89 3
2 1 7 9916.83 927.978 3
2 1 8 39.4371 232.159 3
-2 -2 12 1681.69 547.870 1
-2 -2 11-234.239 331.699 1
-2 -2 11-272.352 397.577 3
-2 -2 10 4082.95 729.853 3
2 2 -10 5184.33 714.177 4
-2 -2 10 4969.47 758.211 1
-2 -2 9 34934.8 1937.42 3
2 2 -9 35004.8 1697.86 4
-2 -2 9 33756.3 1775.07 1
-2 -2 8 18480.6 1239.55 1
-2 -2 8 16987.0 1281.18 3
2 2 -8 17370.2 1169.95 4
-2 -2 7 77745.5 2334.78 1
2 2 -7 80121.4 2435.24 4
-2 -2 6 64386.2 1883.88 1
2 2 -6 67820.2 2151.65 4
-2 -2 5 5554.85 512.915 1
2 2 -5 5357.91 616.705 4
2 2 -4 44436.4 1661.76 4
2 2 -3 1119.10 321.405 4
2 2 -2 97067.7 2588.58 4
-2 -2 2 95488.6 1985.29 5
2 2 -1 92870.3 2078.96 3
-2 -2 1 98108.0 2117.04 5
2 2 0 35478.0 1320.07 3
2 2 1 8702.88 669.928 3
2 2 2 42030.7 1525.19 3
2 2 3 291.737 215.151 3
2 2 4 171358. 3369.78 3
2 2 5 30649.3 1478.92 3
2 2 6 12537.2 1009.71 3
2 2 7 18.2898 213.656 3
2 2 8 709.994 312.886 3
2 3 -11 3868.91 705.032 4
2 3 -10 5913.66 829.678 4
-2 -3 9 20004.0 1315.18 1
2 3 -9 19729.2 1432.68 4
-2 -3 8 17623.2 1108.74 1
2 3 -8 20627.7 1449.37 4
-2 -3 7 18121.2 1004.41 1
2 3 -7 21468.8 1390.47 4
2 3 -6 32714.7 1609.49 4
2 3 -5 34057.8 1658.40 4
2 3 -4 241511. 4235.59 4
2 3 -3 229221. 4482.29 4
2 3 -2 29802.9 1635.22 4
-2 -3 2 29714.0 1148.47 5
2 3 -1 4151.29 552.969 3
-2 -3 1 4410.90 498.674 5
2 3 -1 2986.37 541.593 4
2 3 0 4094.30 543.576 3
2 3 1 2133.02 411.509 3
2 3 2 53507.3 1896.92 3
2 3 3 20930.5 1245.81 3
2 3 4 5033.58 662.375 3
2 3 5 6312.25 795.637 3
2 3 6 302.775 259.007 3
2 3 7 9644.52 1016.80 3
2 4 -10 86.4941 269.603 4
2 4 -9-32.4040 285.763 4
2 4 -8 3897.80 683.273 4
2 4 -7-102.639 202.480 4
2 4 -6 23405.3 1470.23 4
2 4 -5 60603.9 2420.35 4
2 4 -4 367.523 235.897 4
2 4 -3 6794.16 880.643 4
2 4 -2 495.946 319.063 4
2 4 -1 32195.9 1969.59 4
2 4 -1 32503.6 1736.43 3
-2 -4 1 37227.7 1506.80 5
2 4 0 32313.6 1996.41 4
2 4 0 33578.4 1728.65 3
2 4 1 13484.6 1093.70 3
2 4 2 2564.68 489.557 3
2 4 3 6976.09 823.272 3
2 4 4 4788.48 695.136 3
2 4 5 379.756 293.230 3
2 5 -9 5274.84 874.901 4
2 5 -8 10802.5 1142.76 4
2 5 -7 3739.70 664.560 4
2 5 -6 42.1788 255.690 4
2 5 -5 34677.4 2018.95 4
2 5 -4 1546.66 475.882 4
2 5 -3 13530.0 1329.45 4
2 5 -2 9438.46 1077.63 3
2 5 -2 8110.40 1105.22 4
2 5 -1 1806.82 485.516 3
2 5 -1 2299.60 649.651 4
2 5 0 7826.68 1085.04 4
2 5 0 8235.62 999.798 3
2 5 1 6993.20 1023.52 4
2 5 1 8046.30 979.337 3
2 5 2 1425.41 406.042 3
2 5 2 1236.80 485.788 4
2 5 3 19743.0 1486.00 3
2 6 -7 10973.8 1182.78 4
2 6 -6 1081.42 457.776 4
2 6 -5 28495.2 1982.14 4
2 6 -4 21316.0 1765.94 4
2 6 -3 117.005 290.832 3
2 6 -3-386.471 440.655 4
2 6 -2 11548.6 1299.63 3
2 6 -2 9231.55 1224.91 4
2 6 -1 70.5096 340.108 3
2 6 -1-11.2288 341.377 4
2 6 0 41863.9 2431.91 3
2 6 0 36758.5 2482.72 4
2 6 1 15802.2 1461.24 3
-3 7 4 18485.7 1588.08 6
-3 7 3 7556.95 1079.81 6
-3 7 2 345.956 465.028 6
-3 7 1 2803.19 699.399 6
-3 7 0 1206.29 531.748 6
-3 7 -1 27943.0 2077.12 6
-3 7 -2 27240.4 2114.64 6
-3 7 -3 1154.05 731.564 6
-3 7 -4 169.737 415.217 6
-3 7 -5 232.521 380.259 6
-3 7 -6-63.3532 434.208 6
-3 6 5 397.681 348.967 6
-3 6 4 19.2484 276.551 6
-3 6 3 373.684 338.758 6
-3 6 2 1073.57 491.537 6
-3 6 1 32702.8 1612.47 3
-3 6 1 27786.3 1828.72 6
-3 6 0 46343.2 2352.15 6
-3 6 -1 2547.88 718.074 6
-3 6 -2 4444.46 876.816 6
-3 6 -3 885.437 545.919 6
-3 6 -4 3937.26 861.774 6
-3 6 -5 10967.4 1372.71 6
-3 6 -6 666.361 490.893 6
-3 6 -7 1981.85 629.422 6
-3 5 8 42605.0 2506.68 1
-3 5 7 881.410 447.229 1
-3 5 6 2199.54 527.846 1
-3 5 5 2223.36 465.620 1
-3 5 5 2444.10 548.863 6
-3 5 4 4028.40 545.879 1
-3 5 4 3993.00 649.642 6
-3 5 3 12406.1 1092.53 6
-3 5 3 12353.9 885.705 1
-3 5 2 3159.60 448.913 3
-3 5 2 2034.92 454.701 6
-3 5 1 618.597 344.011 6
-3 5 0 1495.97 451.027 6
-3 5 -1-17.2283 335.015 6
-3 5 -2 420.835 384.640 6
-3 5 -3 11116.5 1207.79 6
-3 5 -4 862.013 475.321 6
-3 5 -5 6591.49 972.189 6
-3 5 -5 7615.31 923.689 5
-3 5 -6 901.015 447.267 6
-3 5 -6 724.008 358.619 5
-3 5 -7 637.546 451.589 6
3 -5 7 996.215 466.771 3
3 -5 8 3957.21 838.573 3
-3 4 8 8452.10 1084.96 1
-3 4 7 764.610 362.875 1
-3 4 6 1808.01 463.013 1
-3 4 5 9202.40 877.897 1
-3 4 5 9074.29 906.418 6
-3 4 4 615.870 228.155 1
-3 4 4 185.865 284.410 6
-3 4 3 14804.5 1099.99 6
-3 4 3 16134.6 986.894 1
-3 4 2 28828.0 1055.17 3
-3 4 2 25529.9 1412.37 6
-3 4 1 4652.82 635.779 6
-3 4 0 53629.3 2039.08 6
-3 4 -1 6610.33 780.356 6
-3 4 -2 461.462 285.602 6
-3 4 -3 214.931 261.949 6
-3 4 -3-269.652 384.016 5
-3 4 -4 341.063 357.803 6
-3 4 -4-325.570 368.967 5
3 -4 4-274.977 316.693 3
3 -4 5 12051.8 1112.03 3
-3 4 -5 13450.7 1202.16 6
-3 4 -5 12630.2 1132.01 5
3 -4 6 18896.3 1459.37 3
-3 4 -6 16010.0 1288.40 6
-3 4 -6 16508.3 1365.71 5
3 -4 7 384.167 345.251 3
-3 4 -7 779.056 422.790 5
3 -4 8-330.724 402.724 3
-3 4 -8 109.993 381.493 5
3 -4 9-598.381 483.403 3
-3 3 9 18050.9 1599.24 1
-3 3 8 26879.9 1775.29 1
-3 3 7 18431.8 1344.26 1
3 -3 -6 350.795 302.693 7
-3 3 6 836.524 313.322 1
-3 3 5 1042.89 335.219 1
3 -3 -5 447.980 322.016 7
-3 3 4 6561.02 689.450 6
-3 3 4 6181.08 654.338 1
3 -3 -4 5338.87 625.459 7
3 -3 -3 6033.48 658.433 7
-3 3 3 6069.08 671.808 6
-3 3 3 5904.85 602.167 1
3 -3 -2 68041.1 2049.96 7
-3 3 2 62023.2 1991.95 6
3 -3 -1 36581.4 1476.69 7
-3 3 1 32796.9 1450.78 6
3 -3 0 5618.50 617.908 7
-3 3 0 5004.97 586.486 6
3 -3 1 18113.4 1065.44 7
-3 3 -1 15637.6 1050.43 6
-3 3 -1 15957.7 1183.19 5
3 -3 2 2426.84 407.579 7
-3 3 -2 2243.69 467.584 6
-3 3 -2 1422.18 370.300 5
3 -3 2 2258.17 383.203 3
-3 3 -3 122163. 3073.41 6
-3 3 -3 123824. 3239.37 5
3 -3 3 124327. 2839.69 3
-3 3 -4 69085.2 2449.43 5
-3 3 -4 69109.9 2356.34 6
3 -3 4 72876.6 2304.91 3
-3 3 -5 2882.88 535.389 6
-3 3 -5 2954.41 588.079 5
3 -3 5 3778.41 580.595 3
3 -3 6 182.246 207.179 3
-3 3 -6 131.610 309.910 5
3 -3 7 637.733 368.696 3
-3 3 -7-38.7060 441.008 5
3 -3 8 1203.69 476.835 3
3 -3 9 14710.2 1491.21 3
-3 2 10 9853.60 1203.34 1
-3 2 9 20914.8 1573.70 1
3 -2 -8 11207.1 1057.79 7
-3 2 8 8346.45 921.061 1
-3 2 7 9638.35 939.739 1
3 -2 -7 10776.8 952.907 7
-3 2 6 32659.7 1612.09 1
3 -2 -6 31553.3 1488.50 7
3 -2 -5 91692.8 2383.96 7
-3 2 5 94781.7 2581.84 1
3 -2 -4 169107. 3149.78 7
-3 2 4 176298. 3346.42 1
3 -2 -3 3425.07 473.607 7
-3 2 3 4170.96 496.085 1
3 -2 -2 146.723 105.494 4
3 -2 -2 362.379 159.895 7
-3 2 2 39.1602 211.244 6
-3 2 1 1158.66 303.025 6
3 -2 -1 997.194 243.714 7
3 -2 0 521.786 213.423 7
-3 2 0 1038.35 130.666 3
-3 2 0 1027.62 291.915 6
-3 2 0 600.069 303.175 5
3 -2 1 89081.8 1961.46 7
-3 2 -1 93236.8 2265.18 6
3 -2 1 90353.0 1809.35 3
3 -2 2 100892. 2060.10 7
-3 2 -2 105400. 2392.74 6
-3 2 -2 106356. 2843.03 5
3 -2 2 105601. 2098.85 3
3 -2 3 3377.75 382.142 7
-3 2 -3 4188.87 521.073 6
-3 2 -3 3315.85 591.385 5
3 -2 3 4780.97 520.571 3
-3 2 -4 10725.3 782.314 6
-3 2 -4 10625.5 982.210 5
3 -2 4 9152.77 589.698 7
3 -2 5-307.222 297.692 3
3 -2 6 8384.83 895.311 3
3 -2 7 13921.4 1241.03 3
3 -2 8-116.702 369.076 3
3 -2 9 3002.80 693.132 3
-3 1 10 214.344 304.347 1
-3 1 9 4856.63 728.769 1
3 -1 -9 4888.65 664.433 7
3 -1 -8 3914.27 568.695 7
-3 1 8 3263.55 566.803 1
-3 1 7 13183.0 1080.34 1
3 -1 -7 14009.4 1000.96 7
-3 1 6 117325. 2474.52 2
-3 1 6 121352. 3034.71 1
3 -1 -6 120707. 2736.59 7
3 -1 -5 1802.91 221.017 4
-3 1 5 2377.89 375.277 2
-3 1 5 2731.22 476.535 1
-3 1 4 17312.3 910.870 2
-3 1 4 17334.5 1049.22 1
3 -1 -4 15131.2 646.053 4
3 -1 -3 142.561 163.900 4
-3 1 3 337.235 190.772 2
-3 1 2 42358.0 1356.19 2
-3 1 1 70950.9 2256.51 5
-3 1 1 64330.1 1687.23 2
-3 1 0 1825.34 330.435 2
-3 1 0 2546.64 521.082 5
3 -1 0 1771.57 201.107 3
-3 1 -1 4880.41 643.643 5
3 -1 1 4679.76 364.823 3
-3 1 -1 4667.28 488.124 2
-3 1 -2 4345.88 469.522 2
-3 1 -2 4635.76 626.619 5
3 -1 2 5376.61 469.760 3
-3 1 -3 2220.37 325.998 2
-3 1 -3 3362.34 602.415 5
3 -1 3 2675.06 373.756 3
3 -1 4 1387.40 315.473 3
-3 1 -4 1864.70 319.429 2
3 -1 5 11750.7 960.028 3
3 -1 6 1490.52 398.385 3
3 -1 7 9866.87 1048.71 3
3 -1 8 503.127 324.201 3
-3 0 11 808.438 411.790 1
-3 0 10 5784.23 853.736 1
-3 0 9 8673.08 966.566 1
3 0 -9 8073.57 790.481 7
-3 0 8-497.785 295.696 1
-3 0 8 169.952 178.179 2
3 0 -7 47.7628 144.660 4
-3 0 7 1.52090 139.197 2
-3 0 7-31.2554 224.927 1
-3 0 6 38214.6 1701.56 1
3 0 -6 39219.3 1359.23 4
-3 0 6 37252.0 1364.17 2
3 0 -5 136.867 147.763 4
-3 0 5 144.370 158.167 2
-3 0 5-94.7053 204.457 1
-3 0 4 9729.48 692.648 2
3 0 -4 10254.5 758.637 4
-3 0 3 43876.2 1460.29 2
3 0 -3 40067.8 1496.06 4
-3 0 2 2076.84 373.583 2
3 0 -2 1201.33 121.405 3
3 0 -1 41633.8 924.483 3
-3 0 1 42147.2 1740.57 5
-3 0 1 42586.5 1479.48 2
3 0 0 31266.7 968.909 3
-3 0 0 30340.0 1493.08 5
-3 0 0 32084.0 1284.92 2
3 0 1 3112.86 374.412 3
-3 0 -1 2073.20 459.163 5
-3 0 -1 2063.58 377.060 2
3 0 2 64059.9 1798.58 3
-3 0 -2 61859.9 1745.15 2
3 0 3 10967.5 832.733 3
-3 0 -3 9870.88 716.261 2
-3 0 -4-70.1252 129.586 2
3 0 4-295.521 278.457 3
3 0 5-302.364 301.663 3
3 0 6-967.097 524.519 3
3 0 7 14399.1 1270.09 3
3 0 8 7475.14 997.166 3
-3 -1 11 2941.27 676.872 1
-3 -1 10 124.435 258.583 1
-3 -1 9 10137.3 1060.44 1
3 1 -9 11636.5 938.775 4
-3 -1 8 23768.5 1496.92 1
3 1 -8 25258.5 1363.35 4
-3 -1 8 24306.0 1154.57 2
-3 -1 7 32096.4 1638.43 1
-3 -1 7 32272.5 1339.32 2
3 1 -7 33907.0 1548.11 4
3 1 -6 53518.7 1881.71 4
-3 -1 6 53902.0 1966.46 1
3 1 -5 53100.6 1956.81 4
3 1 -4 665.713 267.183 4
3 1 -3 12993.9 682.703 3
3 1 -3 11782.6 939.514 4
3 1 -2 3901.52 591.588 4
3 1 -2 4455.12 436.355 3
-3 -1 2 3499.52 526.583 5
3 1 -1 35277.1 1271.60 3
-3 -1 1 33809.3 1588.34 5
3 1 0 57919.1 1728.25 3
-3 -1 0 60719.0 2154.72 5
3 1 1 17234.1 1000.78 3
-3 -1 -1 20808.9 1341.88 5
3 1 2 4585.63 551.905 3
3 1 3 7560.52 734.579 3
-3 -1 -3 7673.79 684.642 2
-3 -1 -4 951.329 275.449 2
3 1 4 1185.08 371.889 3
3 1 5 61714.8 2330.39 3
3 1 6 25708.5 1610.69 3
3 1 7 2467.80 574.040 3
-3 -2 11 1645.46 519.660 1
3 2 -10 4561.29 676.615 4
-3 -2 10 3401.30 666.199 1
-3 -2 9 1420.82 442.193 1
3 2 -9 1046.63 358.444 4
3 2 -8 21905.3 1451.36 4
-3 -2 8 18423.2 1292.24 1
3 2 -7 25776.4 1490.44 4
3 2 -6 22684.6 1384.47 4
3 2 -5 14599.4 1108.34 4
3 2 -4 37780.9 1784.19 4
3 2 -3 141280. 2669.01 3
3 2 -3 138329. 3649.64 4
3 2 -2 196110. 4626.86 4
3 2 -2 194415. 3270.02 3
-3 -2 2 196308. 3837.82 5
3 2 -1 3528.09 457.774 3
-3 -2 1 3232.84 573.293 5
3 2 0 1943.88 395.842 3
-3 -2 0 1771.58 395.504 5
3 2 1 1047.46 316.580 3
3 2 2-117.707 213.156 3
3 2 3 31967.5 1581.93 3
3 2 4 18371.1 1239.91 3
3 2 5 1710.57 413.133 3
3 2 6 2603.00 532.480 3
3 3 -11 9311.05 1118.03 4
3 3 -10 55188.5 2592.29 4
3 3 -9-168.859 322.255 4
3 3 -8-251.533 311.723 4
3 3 -7 4526.67 665.063 4
3 3 -6 747.139 304.550 4
3 3 -5 16584.3 1295.60 4
3 3 -4 72200.0 2769.71 4
3 3 -3 1867.70 383.239 3
3 3 -3 2031.69 607.170 4
3 3 -2 6354.29 996.238 4
3 3 -2 6334.57 684.954 3
-3 -3 2 6122.55 720.686 5
3 3 -1 748.207 294.086 3
3 3 -1 1360.87 514.731 4
-3 -3 1 881.281 337.155 5
3 3 0 9081.17 821.467 3
-3 -3 0 10652.4 981.095 5
3 3 1 24812.5 1422.08 3
3 3 2 995.655 362.699 3
3 3 3 3645.14 600.933 3
3 3 4 1519.24 430.847 3
3 3 5 1151.58 383.610 3
3 4 -9-701.869 465.545 4
3 4 -8 5129.65 780.456 4
3 4 -7 11806.7 1151.45 4
3 4 -6 1142.17 385.734 4
3 4 -5 498.331 361.305 4
3 4 -4 22407.3 1377.57 3
3 4 -4 22352.1 1725.73 4
3 4 -3-194.572 249.263 3
3 4 -3 340.978 414.927 4
3 4 -2 11235.0 1017.33 3
3 4 -2 12532.6 1503.36 4
3 4 -1 6017.13 1082.15 4
3 4 -1 6202.34 769.265 3
3 4 0 416.970 237.649 3
3 4 0 528.063 391.412 4
3 4 1 8352.00 911.934 3
3 4 2 2441.12 524.477 3
3 4 3-20.0973 277.390 3
3 5 -6 8908.60 1149.08 4
3 5 -5 5801.90 995.300 4
3 5 -4 24339.2 1592.98 3
3 5 -4 25270.5 2009.51 4
3 5 -3 19925.0 1467.98 3
3 5 -3 24132.4 2134.78 4
3 5 -2-519.528 457.898 3
3 5 -2 204.907 412.862 4
3 5 -1 2980.71 605.456 3
3 5 -1 3808.77 898.351 4
3 5 0 216.736 297.125 3
3 5 1 16501.1 1381.46 3
-4 6 5 1113.86 519.323 6
-4 6 4 911.365 417.584 6
-4 6 3 727.544 420.832 6
-4 6 2 4884.45 793.603 6
-4 6 1 4552.42 815.245 6
-4 6 0 390.695 381.841 6
-4 6 -1-342.470 410.824 6
-4 6 -2 138.588 390.164 6
-4 6 -3-463.126 502.239 6
-4 6 -4 1977.26 606.913 6
-4 6 -5-291.136 470.573 6
-4 5 7 1168.26 400.244 1
-4 5 6 1027.44 354.554 1
-4 5 5 637.205 279.779 1
-4 5 4 2606.54 600.948 6
-4 5 3 577.659 339.461 6
-4 5 2 3918.39 676.391 6
-4 5 1 3207.12 619.897 6
-4 5 0 1657.34 503.409 6
-4 5 -1 12418.7 1193.26 6
-4 5 -2 1500.96 532.750 6
-4 5 -3-329.148 379.243 6
-4 5 -4 628.845 464.919 6
-4 5 -5 236.724 334.993 6
-4 5 -5-204.983 352.533 5
-4 5 -6 2317.60 691.681 5
-4 4 7 9914.41 1076.02 1
-4 4 6 10170.3 1026.19 1
-4 4 5 400.718 252.844 1
4 -4 -4-363.379 414.190 7
4 -4 -3 1978.38 488.610 7
-4 4 3 2430.64 520.586 6
4 -4 -2 336.577 274.472 7
-4 4 2 625.363 377.327 6
4 -4 -1 32673.5 1786.54 7
-4 4 1 28052.5 1558.22 6
4 -4 0 15164.9 1240.76 7
-4 4 0 13168.8 1107.48 6
-4 4 -1 644.799 375.545 6
-4 4 -2 1207.99 416.195 6
-4 4 -3 1147.23 462.541 6
-4 4 -3 303.702 405.956 5
-4 4 -4 20244.3 1484.31 6
-4 4 -4 20244.4 1660.88 5
-4 4 -5 23918.3 1883.40 5
-4 4 -6-40.5757 387.430 5
-4 4 -7-142.359 432.647 5
4 -3 -8 19515.7 1690.48 7
-4 3 8 16473.1 1400.09 1
4 -3 -7 5977.44 928.739 7
-4 3 7 5317.97 768.884 1
4 -3 -6 2052.22 540.633 7
-4 3 6 1385.01 411.926 1
4 -3 -5 14946.0 1236.85 7
-4 3 5 16659.0 1210.09 1
4 -3 -4 16535.2 1219.49 7
4 -3 -3 79209.3 2455.61 7
4 -3 -2 1286.22 417.628 7
4 -3 -1 310.414 211.591 7
-4 3 1-29.0115 228.764 6
4 -3 0-112.762 214.893 7
-4 3 0 55.8835 258.074 6
4 -3 1 730.198 276.425 7
-4 3 -1 724.503 330.952 6
-4 3 -1 138.224 395.718 5
4 -3 2 21181.4 1237.68 7
-4 3 -2 22596.9 1389.68 6
-4 3 -2 20964.7 1572.57 5
4 -3 3 35183.0 1619.01 7
-4 3 -3 37779.1 1780.36 6
-4 3 -3 38501.1 2156.10 5
-4 3 -4 841.566 529.227 5
-4 3 -5 2341.16 689.896 5
-4 3 -6-536.520 544.312 5
4 -2 -10 2210.14 648.076 7
4 -2 -9 159.812 351.289 7
-4 2 9 355.873 339.307 1
4 -2 -8 3019.92 620.271 7
-4 2 8 3092.88 610.522 1
-4 2 7 2539.74 542.993 1
4 -2 -7 2796.95 555.047 7
-4 2 6 3207.49 583.091 1
4 -2 -6 3643.41 618.358 7
4 -2 -5 73704.2 2467.97 7
4 -2 -4 4742.04 641.653 7
-4 2 3 5085.44 596.930 2
4 -2 -3 3946.00 546.507 7
4 -2 -2-163.797 261.856 7
-4 2 2-272.025 261.493 2
-4 2 1 3610.68 515.249 2
4 -2 -1 3320.50 487.410 7
-4 2 0 17411.3 1093.59 2
4 -2 0 18657.8 1099.46 7
-4 2 0 19184.0 1437.09 5
4 -2 1 4112.90 525.334 7
-4 2 -1 3792.68 725.484 5
4 -2 2 1055.07 292.460 7
-4 2 -2 1864.60 522.789 5
4 -2 3-916.407 278.559 7
-4 2 -3 76.5577 339.757 5
-4 2 -4 182.678 320.765 5
-4 2 -5 696.209 413.695 5
-4 2 -6 2100.46 634.562 5
4 -1 -10 735.747 345.034 7
4 -1 -9 2967.90 592.402 7
-4 1 9 2800.44 594.010 1
4 -1 -8 4405.70 692.257 7
-4 1 8 4802.54 741.306 1
4 -1 -7 1279.86 384.658 7
-4 1 7 1027.93 308.873 2
-4 1 7 1283.99 392.185 1
-4 1 6 73.7907 205.039 1
-4 1 6-384.391 295.325 2
-4 1 5 9616.24 830.749 2
-4 1 4 580.686 205.765 2
-4 1 3 6865.84 720.325 2
4 -1 -2 9712.38 851.542 4
-4 1 2 8745.99 793.935 2
-4 1 1 285.755 244.454 2
-4 1 1 182.211 303.353 5
-4 1 0 13477.7 990.250 2
-4 1 0 13907.4 1262.21 5
-4 1 -1 3019.89 506.728 2
-4 1 -1 3166.36 658.464 5
-4 1 -2 319.305 197.070 2
-4 1 -2 502.082 374.024 5
-4 1 -3 17028.5 1115.30 2
-4 1 -3 18132.1 1484.69 5
-4 1 -4 2205.03 436.489 2
-4 1 -4 2253.55 613.384 5
-4 1 -5 16.7997 353.420 5
-4 0 10 1137.53 453.683 1
4 0 -10 1174.44 387.174 7
4 0 -9-34.2101 265.477 7
-4 0 9 542.399 320.399 1
-4 0 8 9059.20 847.917 2
-4 0 8 8783.14 998.102 1
-4 0 7 9862.04 876.908 2
-4 0 6 25171.1 1376.55 2
-4 0 5 24023.1 1345.76 2
-4 0 4 28590.7 1481.53 2
4 0 -4 27863.5 1473.48 4
4 0 -3-349.414 314.702 4
-4 0 3 98.8853 240.520 2
-4 0 2 876.823 331.219 2
4 0 -2 661.662 337.254 4
-4 0 1 2307.72 466.785 2
-4 0 1 1772.46 500.892 5
-4 0 0 6484.88 896.431 5
-4 0 0 6047.94 716.705 2
-4 0 -1 36687.8 2033.48 5
-4 0 -1 34112.0 1591.19 2
-4 0 -2 8133.98 1004.90 5
-4 0 -2 7598.69 782.612 2
-4 0 -3 624.181 268.736 2
-4 0 -3 951.631 467.378 5
-4 0 -4 85.0230 181.821 2
-4 0 -4 306.333 391.341 5
-4 0 -5 1021.95 518.647 5
-4 -1 10 1159.00 455.948 1
-4 -1 9 3380.67 684.738 1
-4 -1 8-103.823 170.201 2
-4 -1 7 14773.7 1083.79 2
-4 -1 6 22009.6 1334.34 2
4 1 -6 21228.1 1360.94 4
-4 -1 5 14903.6 1140.81 2
4 1 -5 13486.4 1112.54 4
4 1 -4 3524.64 648.901 4
-4 -1 4 3762.63 636.463 2
4 1 -3 23445.8 1582.88 4
4 1 -2 39140.9 2187.13 4
-4 -1 2 38847.4 2082.52 5
-4 -1 1 114471. 3621.82 5
-4 -1 1 107816. 3076.10 2
-4 -1 0 820.020 415.791 2
-4 -1 0 548.945 510.436 5
-4 -1 -1 858.574 323.215 2
-4 -1 -1 576.455 383.309 5
-4 -1 -2 22.1648 195.041 2
-4 -1 -2-223.940 400.709 5
-4 -1 -3 35.6467 180.554 2
-4 -1 -3 239.041 345.725 5
-4 -1 -4 15332.1 1603.59 5
-4 -2 8 2228.84 485.870 2
4 2 -7 16.6392 242.614 4
4 2 -6 3179.24 598.821 4
4 2 -5 1965.37 511.117 4
4 2 -4 4972.55 777.532 4
4 2 -3 62717.1 2955.44 4
4 2 -2 3268.36 790.150 4
-4 -2 2 3339.37 750.316 5
4 2 -1 3483.48 855.906 4
-4 -2 1 2925.33 628.648 5
-4 -2 0 752.706 447.558 5
-4 -2 -1 1102.51 496.257 5
-4 -2 -2 12042.6 1295.40 5
-4 -2 -2 9691.60 915.060 2
-4 -2 -3 516.148 263.503 2
-4 -2 -3 866.255 412.929 5
4 3 -8-158.241 338.741 4
4 3 -7 2123.56 548.720 4
4 3 -6 8159.21 1032.06 4
4 3 -5 236.846 283.977 4
4 3 -4 751.262 415.040 4
4 3 -3 10069.2 1361.15 4
4 3 -2-117.156 438.849 4
4 3 -1 7511.15 1349.98 4
4 3 0 2250.15 737.168 4
-4 -3 -1 135.796 315.978 5
-4 -3 -2 4063.27 808.113 5
-5 5 2 541.545 415.039 6
-5 5 1 275.389 382.419 6
-5 5 0 9271.48 1101.24 6
-5 5 -1 5447.58 923.529 6
-5 5 -2 424.729 486.135 6
-5 5 -3-90.2114 315.116 6
5 -4 -5 778.254 489.341 7
5 -4 -4 4096.93 782.327 7
5 -4 -3 1740.35 554.903 7
5 -4 -2 30728.7 1948.55 7
5 -4 -1 4965.56 860.885 7
5 -4 0 656.853 398.264 7
5 -4 1 356.765 342.576 7
-5 4 -1 227.478 313.328 6
-5 4 -2 547.751 381.030 6
5 -3 -6 1564.27 519.976 7
5 -3 -5 543.410 378.598 7
5 -3 -4 30464.1 1819.04 7
5 -3 -3 4965.48 781.165 7
5 -3 -2 854.325 389.785 7
5 -3 -1 88.4263 227.422 7
5 -3 0 179.308 245.332 7
5 -3 1 2986.40 560.689 7
-5 3 -2 4843.08 908.291 5
-5 3 -3-127.263 467.226 5
5 -2 -7 1683.56 529.334 7
5 -2 -6 2475.74 627.569 7
5 -2 -5 580.584 375.664 7
5 -2 -4 704.571 331.524 7
5 -2 -3-5.46206 268.577 7
5 -2 -2 823.465 327.513 7
5 -2 -1 483.113 297.015 7
5 -2 0 948.308 378.011 7
5 -2 1 1688.49 455.644 7
-5 2 -1 3002.35 756.856 5
-5 2 -2-866.910 480.345 5
5 -1 -7 2565.18 584.777 7
-5 1 7 3503.50 637.384 2
-5 1 6 1216.97 401.113 2
-5 1 5 10385.1 1045.97 2
-5 1 4 7149.66 898.562 2
-5 1 3 11941.7 1147.86 2
-5 1 2-202.431 296.563 2
-5 1 1-345.262 344.022 2
-5 1 0-90.6612 367.279 2
-5 1 0 194.718 387.463 5
-5 1 -1-18.7313 277.454 2
-5 1 -1 811.940 500.844 5
-5 1 -2 13030.7 1179.41 2
-5 1 -2 11910.0 1406.39 5
-5 1 -3 3919.91 685.380 2
-5 0 8 784.158 298.431 2
-5 0 7 107.227 221.403 2
-5 0 6 7774.39 938.327 2
-5 0 5 16402.0 1374.52 2
-5 0 4 7912.84 973.676 2
-5 0 3 467.661 390.366 2
-5 0 2 8572.07 1025.05 2
-5 0 1 6713.09 911.510 2
-5 0 0 42071.9 2608.27 5
-5 0 0 43573.9 2170.00 2
-5 0 -1 2406.63 568.435 2
-5 0 -1 2617.92 789.876 5
-5 0 -2 127.645 203.428 2
-5 -1 5 1629.74 497.641 2
-5 -1 4 758.731 383.705 2
-5 -1 3 2878.85 682.513 2
5 1 -2 33028.1 2311.36 4
-5 -1 2 31847.7 1955.96 2
5 1 -1 2661.34 790.339 4
-5 -1 1 3337.93 687.890 2
-5 -1 1 3978.95 941.995 5
-5 -1 0 1770.35 667.341 5
5 2 -3-75.8094 440.634 4
5 2 -2 1637.12 677.185 4
0 0 0 0.00 0.00 0
TITL xl020 in P-1
REM P-1 (#2 in standard setting)
CELL 0.71073 3.872604 5.654579 8.377765 100.6420 100.4147 105.7288
ZERR 1.00 0.001087 0.001023 0.001759 0.0163 0.0215 0.0207
LATT 1
SFAC C H O
UNIT 6.00 8.00 4.00
TREF
HKLF 4
END
;
_shelx_hkl_checksum 3731
_shelx_res_file
;
TITL shelxt_a.res in P-1
shelx.res
created by SHELXL-2019/3 at 11:31:50 on 24-Sep-2024
CELL 0.71073 3.8726 5.6546 8.3778 100.642 100.415 105.729
ZERR 1.00 0.0011 0.0010 0.0018 0.016 0.022 0.021
LATT 1
SFAC C H O
UNIT 6 8 4
MERG 2
OMIT -1 0 2
OMIT 2 -2 1
OMIT 0 0 1
SHEL1000 0.75
FMAP 2
PLAN 20
SIZE 0.345 0.458 0.523
ACTA
BOND
CONF
LIST 4
L.S. 10
TEMP -161.00
WGHT 0.104200 0.003900
FVAR 41.76306
O2 3 0.205773 0.467728 0.305485 11.00000 0.03275 0.01880 =
0.02614 0.00390 0.01123 0.00108
O1 3 0.568169 0.776345 0.218515 11.00000 0.04842 0.02595 =
0.03348 0.00349 0.02097 -0.00301
C2 1 0.399770 0.878127 0.478441 11.00000 0.02493 0.02305 =
0.02381 0.00558 0.00751 0.00448
C1 1 0.406164 0.708390 0.320360 11.00000 0.02348 0.02058 =
0.02417 0.00482 0.00594 0.00273
C3 1 0.192734 0.286309 0.154939 11.00000 0.03544 0.01972 =
0.02778 0.00059 0.00856 0.00281
AFIX 137
H1A 2 0.078071 0.332324 0.056057 11.00000 -1.50000
H1B 2 0.046722 0.116090 0.156867 11.00000 -1.50000
H1C 2 0.444625 0.288310 0.150486 11.00000 -1.50000
AFIX 0
H1 2 0.246136 0.795721 0.544068 11.00000 0.03440
HKLF 4
REM shelxt_a.res in P-1
REM wR2 = 0.1441, GooF = S = 1.040, Restrained GooF = 1.040 for all data
REM R1 = 0.0475 for 703 Fo > 4sig(Fo) and 0.0540 for all 825 data
REM 51 parameters refined using 0 restraints
END
WGHT 0.1041 0.0039
REM Highest difference peak 0.515, deepest hole -0.240, 1-sigma level 0.063
Q1 1 0.4073 0.8020 0.4066 11.00000 0.05 0.51
Q2 1 0.2081 0.3885 0.2194 11.00000 0.05 0.32
Q3 1 0.4178 1.0109 0.5051 11.00000 0.05 0.23
Q4 1 0.6865 0.7394 0.3100 11.00000 0.05 0.20
Q5 1 0.3434 0.3365 0.0599 11.00000 0.05 0.18
Q6 1 0.4412 0.8099 0.1132 11.00000 0.05 0.16
Q7 1 0.4030 0.4431 0.3895 11.00000 0.05 0.16
Q8 1 0.5985 0.9086 0.2969 11.00000 0.05 0.16
Q9 1 -0.0537 0.3036 0.0798 11.00000 0.05 0.15
Q10 1 0.2806 0.7891 0.1321 11.00000 0.05 0.15
Q11 1 0.2319 0.5367 0.3123 11.00000 0.05 0.15
Q12 1 0.0067 0.5128 0.2686 11.00000 0.05 0.13
Q13 1 0.5949 0.8549 0.5455 11.00000 0.05 0.13
Q14 1 0.0991 0.5541 0.3388 11.00000 0.05 0.12
Q15 1 0.4650 0.2525 0.2132 11.00000 0.05 0.12
Q16 1 0.8688 0.7227 0.2454 11.00000 0.05 0.12
Q17 1 0.1200 0.8817 0.5160 11.00000 0.05 0.11
Q18 1 0.1961 0.8200 0.5873 11.00000 0.05 0.11
Q19 1 -0.0447 0.1683 0.1454 11.00000 0.05 0.10
Q20 1 0.3597 0.9313 0.1902 11.00000 0.05 0.09
;
_shelx_res_checksum 29055
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
O O2 0.2058(2) 0.46773(15) 0.30549(11) 0.0270(3) Uani d 1 . .
O O1 0.5682(3) 0.77635(18) 0.21852(12) 0.0381(4) Uani d 1 . .
C C2 0.3998(3) 0.8781(2) 0.47844(15) 0.0244(4) Uani d 1 . .
C C1 0.4062(3) 0.7084(2) 0.32036(14) 0.0237(4) Uani d 1 . .
C C3 0.1927(4) 0.2863(2) 0.15494(16) 0.0295(4) Uani d 1 . .
H H1A 0.078071 0.332324 0.056057 0.044 Uiso calc 1 . .
H H1B 0.046722 0.116090 0.156867 0.044 Uiso calc 1 . .
H H1C 0.444625 0.288310 0.150486 0.044 Uiso calc 1 . .
H H1 0.246(5) 0.796(3) 0.544(2) 0.034(4) Uiso d 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
O2 0.0328(5) 0.0188(5) 0.0261(5) 0.0011(4) 0.0112(4) 0.0039(4)
O1 0.0484(6) 0.0260(6) 0.0335(6) -0.0030(4) 0.0210(5) 0.0035(4)
C2 0.0249(6) 0.0231(7) 0.0238(6) 0.0045(5) 0.0075(4) 0.0056(5)
C1 0.0235(6) 0.0206(6) 0.0242(6) 0.0027(5) 0.0059(4) 0.0048(5)
C3 0.0354(7) 0.0197(6) 0.0278(7) 0.0028(5) 0.0086(5) 0.0006(5)
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C1 O2 C3 . . 115.47(9) ?
C2 C2 C1 2_676 . 120.37(14) ?
O1 C1 O2 . . 123.92(11) ?
O1 C1 C2 . . 125.05(11) ?
O2 C1 C2 . . 111.03(11) ?
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
O2 C1 . 1.3414(14) ?
O2 C3 . 1.4549(14) ?
O1 C1 . 1.2055(15) ?
C2 C2 2_676 1.329(2) ?
C2 C1 . 1.4937(17) ?
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
C3 O2 C1 O1 . . . . -0.07(19) ?
C3 O2 C1 C2 . . . . 179.80(9) ?
C2 C2 C1 O1 2_676 . . . -4.2(2) ?
C2 C2 C1 O2 2_676 . . . 175.91(13) ?