#------------------------------------------------------------------------------
#$Date: 2016-04-03 01:24:10 +0300 (Sun, 03 Apr 2016) $
#$Revision: 181038 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/18/2211890.hkl $
#------------------------------------------------------------------------------
#
# 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_2211890_Fobs
loop_
_publ_author_name
'H\%akansson, Anders E.'
'Horne, Graeme'
'Fleet, George W.J.'
'Watkin, David J.'
_publ_section_title
;
 (6<i>S</i>)-Methyl-<small>L</small>-swainsonine
 [(1<i>R</i>,2<i>S</i>,6<i>S</i>,8<i>S</i>,8a<i>S</i>)-6-methyloctahydroindolizine-1,2,8-triol]
;
_journal_coeditor_code           LH2265
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o210
_journal_page_last               o212
_journal_volume                  63
_journal_year                    2007
_space_group_IT_number           144
_symmetry_space_group_name_Hall  'P 31'
_symmetry_space_group_name_H-M   'P 31'
_audit_creation_date             06-11-06
_audit_creation_method           CRYSTALS
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   11.4494(6)
_cell_length_b                   11.4494(6)
_cell_length_c                   6.1727(2)
_cod_data_source_file            lh22656sup2.hkl
_cod_data_source_block           6
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_meas
_refln_F_squared_calc
_refln_F_squared_sigma
_refln_observed_status
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-1 2 0 -0.80 0.00 0.35 x
0 2 0 19.25 1611.52 4.95 x
-2 3 0 152.30 177.62 3.68 o
0 3 0 849.70 974.33 18.76 o
-3 4 0 6066.00 6644.76 356.10 o
-2 4 0 3529.60 3669.91 99.73 o
-1 4 0 1626.05 1839.43 33.52 o
0 4 0 2524.60 2560.11 53.00 o
-4 5 0 2064.30 1914.59 47.04 o
-3 5 0 1597.80 1694.82 34.67 o
-2 5 0 2378.55 2449.99 51.15 o
-1 5 0 2049.55 2051.58 41.30 o
0 5 0 150.05 135.83 3.89 o
-5 6 0 394.65 390.44 9.32 o
-4 6 0 1232.00 1181.30 25.40 o
-3 6 0 4112.40 3813.92 90.77 o
-2 6 0 833.30 788.85 16.33 o
-1 6 0 1721.95 1560.94 36.28 o
0 6 0 174.20 162.15 4.12 o
-6 7 0 300.45 296.88 7.05 o
-5 7 0 752.00 717.50 21.66 o
-4 7 0 5591.65 5319.27 233.48 o
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-2 7 0 1633.30 1563.85 41.83 o
-1 7 0 132.80 133.07 3.22 o
0 7 0 115.30 122.21 2.83 o
-7 8 0 640.35 658.27 14.11 o
-6 8 0 187.55 193.26 4.95 o
-5 8 0 661.30 641.12 14.87 o
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-1 8 0 50.50 52.63 2.24 o
0 8 0 507.80 552.06 12.45 o
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-7 9 0 113.55 113.98 3.45 o
-6 9 0 62.00 64.19 2.20 o
-5 9 0 51.10 49.35 1.80 o
-4 9 0 152.50 163.52 3.72 o
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-2 9 0 742.05 733.24 24.51 o
-1 9 0 70.10 70.71 2.66 o
0 9 0 309.25 338.42 8.13 o
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-5 10 0 468.60 475.77 9.90 o
-4 10 0 379.25 378.36 8.58 o
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-2 10 0 279.45 297.00 8.22 o
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0 10 0 243.65 258.05 8.22 o
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-8 11 0 80.30 88.04 3.08 o
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-6 11 0 36.00 31.23 2.67 o
-5 11 0 4.60 6.03 1.90 o
-4 11 0 196.25 204.69 8.72 o
-3 11 0 100.70 103.12 5.34 o
-2 11 0 14.55 13.24 2.73 o
-1 11 0 95.40 92.92 6.36 o
0 11 0 315.50 291.70 13.83 o
-11 12 0 59.80 56.90 5.16 o
-10 12 0 4.40 1.49 3.26 o
-9 12 0 469.00 467.84 16.32 o
-8 12 0 149.90 145.07 6.01 o
-7 12 0 123.95 133.39 7.12 o
-6 12 0 -1.55 3.01 2.35 o
-5 12 0 92.00 83.76 5.14 o
-4 12 0 80.00 83.15 5.42 o
-3 12 0 21.05 15.41 3.79 o
-2 12 0 54.45 42.25 4.51 o
-1 12 0 1.10 6.02 3.45 o
0 12 0 43.35 46.78 4.14 o
-12 13 0 276.60 243.54 14.77 o
-11 13 0 31.80 28.27 3.21 o
-10 13 0 18.10 17.17 3.28 o
-9 13 0 137.30 138.30 6.56 o
-8 13 0 482.10 493.03 18.81 o
-7 13 0 149.30 137.17 8.10 o
-6 13 0 131.40 134.55 7.31 o
-5 13 0 62.40 55.35 5.20 o
-4 13 0 34.10 31.99 3.45 o
-3 13 0 12.60 9.81 3.06 o
-2 13 0 9.30 9.51 3.54 o
-1 13 0 66.50 63.69 6.02 o
-10 14 0 92.55 85.54 5.86 o
-9 14 0 360.20 320.30 15.38 o
-8 14 0 61.65 52.04 6.10 o
-7 14 0 233.30 223.95 11.71 o
-6 14 0 76.35 72.11 6.52 o
-5 14 0 153.90 139.39 9.12 o
-4 14 0 4.15 6.68 4.77 o
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0 1 1 87.95 0.00 15.16 x
-3 2 1 5042.30 5175.93 174.00 o
-1 2 1 1650.60 1983.16 46.16 o
1 2 1 1116.05 1140.46 25.48 o
2 2 1 5202.15 5088.71 219.23 o
-5 3 1 828.20 878.09 17.02 o
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-3 3 1 164.95 189.46 3.85 o
-2 3 1 3387.60 3556.83 89.37 o
-1 3 1 4517.30 5130.42 253.30 o
0 3 1 2986.25 3266.50 66.97 o
1 3 1 148.15 158.06 3.45 o
2 3 1 1870.25 1979.44 39.95 o
3 3 1 717.30 712.77 14.61 o
-7 4 1 164.40 148.62 4.25 o
-6 4 1 2547.40 2454.78 56.49 o
-5 4 1 213.50 225.83 4.99 o
-4 4 1 472.35 496.99 10.50 o
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-1 4 1 1789.40 1887.66 34.18 o
0 4 1 1725.95 1700.93 36.34 o
1 4 1 4499.90 4746.20 173.98 o
2 4 1 1742.50 1588.25 40.04 o
3 4 1 708.35 672.43 14.95 o
4 4 1 728.85 694.36 15.37 o
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-8 5 1 1264.75 1214.47 29.78 o
-7 5 1 216.55 238.83 4.99 o
-6 5 1 145.60 157.42 3.88 o
-5 5 1 453.25 482.72 10.27 o
-4 5 1 4341.50 4126.07 105.88 o
-3 5 1 5698.70 5588.00 309.19 o
-2 5 1 1816.45 1747.70 36.76 o
-1 5 1 319.60 286.38 6.33 o
0 5 1 1573.05 1557.81 29.97 o
1 5 1 512.10 477.55 11.50 o
2 5 1 149.10 137.03 3.55 o
3 5 1 498.00 477.17 11.05 o
4 5 1 58.85 58.30 2.00 o
5 5 1 336.90 337.00 7.75 o
-11 6 1 190.35 188.08 5.80 o
-10 6 1 63.00 65.63 2.67 o
-9 6 1 121.30 130.43 3.69 o
-8 6 1 650.15 604.76 18.04 o
-7 6 1 3247.80 3140.20 72.18 o
-6 6 1 1954.90 1916.13 46.77 o
-5 6 1 513.55 472.80 11.86 o
-4 6 1 285.70 266.46 7.02 o
-3 6 1 838.35 781.68 18.43 o
-2 6 1 1985.65 1861.13 39.92 o
-1 6 1 1552.30 1472.23 31.97 o
0 6 1 1826.95 1732.46 37.77 o
1 6 1 40.90 38.13 1.50 o
2 6 1 318.35 324.57 7.00 o
3 6 1 111.50 129.09 3.00 o
4 6 1 642.90 654.47 13.35 o
5 6 1 188.65 220.59 6.10 o
6 6 1 130.80 128.73 6.86 o
-13 7 1 76.90 76.37 5.69 o
-12 7 1 306.30 293.61 10.20 o
-11 7 1 146.65 152.50 6.24 o
-10 7 1 432.45 414.52 13.10 o
-9 7 1 2172.75 2070.84 55.62 o
-8 7 1 2382.05 2297.81 65.35 o
-7 7 1 183.80 171.89 4.77 o
-6 7 1 721.45 764.90 14.99 o
-5 7 1 920.05 900.43 22.38 o
-4 7 1 229.35 198.50 5.27 o
-3 7 1 1618.70 1512.01 35.26 o
-2 7 1 430.65 470.36 9.52 o
-1 7 1 151.30 142.09 4.51 o
0 7 1 1046.55 929.13 22.11 o
1 7 1 315.70 357.30 7.72 o
2 7 1 115.20 114.51 3.16 o
3 7 1 840.75 826.29 18.50 o
4 7 1 47.50 54.14 2.43 o
5 7 1 334.00 330.08 15.50 o
6 7 1 35.35 38.54 3.85 o
7 7 1 85.95 82.09 5.91 o
-14 8 1 137.35 134.72 8.48 o
-13 8 1 123.15 125.97 7.57 o
-12 8 1 77.75 77.81 5.37 o
-11 8 1 90.65 80.94 5.02 o
-10 8 1 550.80 560.43 16.83 o
-9 8 1 358.65 364.97 10.01 o
-8 8 1 115.25 128.65 3.49 o
-7 8 1 1034.75 993.36 22.25 o
-6 8 1 208.70 210.28 5.95 o
-5 8 1 396.15 402.09 9.20 o
-4 8 1 255.20 250.91 5.68 o
-3 8 1 33.70 29.91 1.57 o
-2 8 1 844.15 892.30 23.53 o
-1 8 1 970.75 927.19 21.26 o
0 8 1 224.55 224.22 5.66 o
1 8 1 341.65 349.74 7.60 o
2 8 1 194.05 209.99 5.53 o
3 8 1 213.25 233.90 5.82 o
4 8 1 169.95 195.74 6.10 o
5 8 1 57.60 53.91 3.71 o
6 8 1 80.50 82.24 6.21 o
-14 9 1 85.50 80.84 6.66 o
-13 9 1 7.05 5.90 4.46 o
-12 9 1 59.20 54.63 4.30 o
-11 9 1 60.30 57.89 3.98 o
-10 9 1 157.05 172.54 5.47 o
-9 9 1 2171.65 2110.38 47.58 o
-8 9 1 33.15 38.57 1.82 o
-7 9 1 149.85 150.76 4.00 o
-6 9 1 85.70 85.00 3.15 o
-5 9 1 315.50 359.54 7.05 o
-4 9 1 443.00 441.91 9.84 o
-3 9 1 616.95 617.47 13.90 o
-2 9 1 549.30 542.08 14.19 o
-1 9 1 499.50 541.19 11.52 o
0 9 1 887.55 869.20 23.03 o
1 9 1 268.15 256.29 8.45 o
2 9 1 482.70 475.65 12.60 o
3 9 1 56.80 47.82 3.47 o
4 9 1 124.25 126.63 6.67 o
5 9 1 23.50 21.22 3.05 o
-14 10 1 10.00 4.78 4.43 o
-13 10 1 77.20 72.49 5.91 o
-12 10 1 137.25 132.73 6.17 o
-11 10 1 6.05 4.18 2.92 o
-10 10 1 1.95 4.67 2.78 o
-9 10 1 94.95 94.79 3.50 o
-8 10 1 197.55 219.55 5.31 o
-7 10 1 1355.80 1378.06 36.75 o
-6 10 1 122.00 125.32 3.62 o
-5 10 1 570.60 569.71 12.65 o
-4 10 1 301.35 345.19 7.09 o
-3 10 1 383.60 402.21 10.09 o
-2 10 1 97.15 102.09 3.43 o
-1 10 1 62.25 63.72 3.73 o
0 10 1 351.40 365.49 11.75 o
1 10 1 71.20 75.22 3.08 o
2 10 1 11.10 9.55 3.58 o
3 10 1 3.95 3.09 2.95 o
4 10 1 28.75 29.22 5.40 o
-13 11 1 12.70 16.74 3.54 o
-12 11 1 6.65 2.77 3.67 o
-11 11 1 26.05 22.27 3.70 o
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-6 11 1 11.05 19.28 2.60 o
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-11 12 1 2.80 0.02 2.51 o
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-6 12 1 123.45 112.54 6.67 o
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-4 12 1 1.00 0.59 3.40 o
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0 12 1 11.80 8.48 4.23 o
1 12 1 19.25 19.94 5.58 o
-12 13 1 71.10 64.17 5.00 o
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-10 13 1 180.55 176.87 8.32 o
-9 13 1 151.25 146.69 6.90 o
-8 13 1 133.80 125.57 6.68 o
-7 13 1 86.70 85.83 5.58 o
-6 13 1 201.00 189.63 9.93 o
-5 13 1 68.75 64.50 4.81 o
-4 13 1 23.30 19.22 3.86 o
-3 13 1 35.15 30.44 4.81 o
-2 13 1 40.40 35.32 4.11 o
-1 13 1 43.20 43.05 6.55 o
-10 14 1 174.60 183.41 9.11 o
-9 14 1 198.60 208.83 10.08 o
-8 14 1 85.55 86.37 4.72 o
-7 14 1 43.00 35.20 5.12 o
-6 14 1 56.30 58.37 5.26 o
-5 14 1 15.80 18.32 3.44 o
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0 1 2 1562.25 1745.51 31.60 o
1 1 2 824.65 852.27 16.36 o
-1 2 2 3786.20 3915.45 138.82 o
0 2 2 318.85 329.82 5.50 o
2 2 2 3674.25 3567.31 88.12 o
-5 3 2 874.45 852.29 17.59 o
-4 3 2 2741.35 2521.36 52.68 o
-3 3 2 360.65 368.31 7.95 o
-2 3 2 1014.45 950.69 20.02 o
-1 3 2 1934.40 1878.21 33.63 o
0 3 2 988.70 1004.82 17.22 o
1 3 2 1489.55 1414.18 27.31 o
2 3 2 350.95 336.85 7.98 o
3 3 2 204.40 199.52 4.60 o
-7 4 2 238.00 241.66 5.35 o
-6 4 2 885.00 869.36 21.26 o
-5 4 2 398.80 409.09 10.64 o
-4 4 2 1720.85 1689.64 41.52 o
-3 4 2 1784.75 1630.83 37.85 o
-2 4 2 2153.50 2087.00 45.40 o
-1 4 2 2181.60 2242.40 48.91 o
0 4 2 1941.25 1900.77 37.69 o
1 4 2 403.65 395.31 7.65 o
2 4 2 1108.10 1120.98 22.45 o
3 4 2 158.10 149.37 3.65 o
4 4 2 149.80 149.57 3.70 o
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-8 5 2 343.75 337.95 7.74 o
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-6 5 2 17.00 12.55 1.12 o
-5 5 2 190.85 177.14 4.77 o
-4 5 2 827.20 844.27 16.17 o
-3 5 2 4563.85 4514.81 109.41 o
-2 5 2 1521.65 1462.45 26.72 o
-1 5 2 656.40 664.49 12.80 o
0 5 2 610.30 573.71 11.67 o
1 5 2 216.05 200.01 4.66 o
2 5 2 447.65 441.65 11.00 o
3 5 2 279.90 271.20 6.60 o
4 5 2 637.50 632.58 13.25 o
5 5 2 115.70 117.91 3.58 o
-11 6 2 39.15 51.65 2.83 o
-10 6 2 74.50 80.51 2.61 o
-9 6 2 2412.25 2311.44 53.86 o
-8 6 2 197.25 184.54 5.48 o
-7 6 2 525.00 521.23 14.50 o
-6 6 2 2498.60 2460.30 52.00 o
-5 6 2 157.40 166.51 3.42 o
-4 6 2 135.20 123.89 3.40 o
-3 6 2 68.45 79.79 1.70 o
-2 6 2 352.25 324.61 7.37 o
-1 6 2 1763.65 1862.85 36.05 o
0 6 2 2606.65 2428.90 47.84 o
1 6 2 1729.25 1654.45 32.72 o
2 6 2 578.10 601.13 12.81 o
3 6 2 289.45 313.54 6.66 o
4 6 2 393.10 403.36 9.00 o
5 6 2 169.10 182.14 5.79 o
6 6 2 195.15 191.93 7.23 o
-13 7 2 3.95 2.78 2.96 o
-12 7 2 21.85 18.87 2.86 o
-11 7 2 241.05 243.73 9.08 o
-10 7 2 59.45 59.76 3.31 o
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-8 7 2 2299.40 2234.49 53.10 o
-7 7 2 3868.70 3688.60 89.23 o
-6 7 2 1944.00 1862.13 40.79 o
-5 7 2 125.40 120.12 3.13 o
-4 7 2 6.80 6.72 0.92 o
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1 7 2 652.85 686.02 12.59 o
2 7 2 522.35 502.25 11.10 o
3 7 2 1195.05 1220.78 28.68 o
4 7 2 521.35 548.28 15.23 o
5 7 2 67.50 62.54 3.63 o
6 7 2 131.25 142.44 8.76 o
7 7 2 54.00 49.02 4.70 o
-14 8 2 39.55 50.67 5.60 o
-13 8 2 132.10 113.22 7.44 o
-12 8 2 317.85 289.99 14.87 o
-11 8 2 474.15 450.47 15.60 o
-10 8 2 144.25 140.65 5.41 o
-9 8 2 181.40 197.94 5.67 o
-8 8 2 119.95 120.74 3.71 o
-7 8 2 1494.30 1451.33 32.12 o
-6 8 2 89.85 87.78 2.53 o
-5 8 2 558.55 556.85 11.90 o
-4 8 2 68.30 70.06 2.25 o
-3 8 2 358.90 381.84 8.00 o
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-1 8 2 548.80 546.64 13.46 o
0 8 2 53.00 48.08 1.98 o
1 8 2 62.20 64.67 2.12 o
2 8 2 235.40 231.45 6.11 o
3 8 2 0.20 6.34 3.37 o
4 8 2 56.60 55.53 3.26 o
5 8 2 27.60 26.06 3.55 o
6 8 2 96.95 104.91 6.34 o
-14 9 2 56.00 67.10 4.50 o
-13 9 2 103.15 90.12 6.22 o
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-6 9 2 337.20 354.11 7.00 o
-5 9 2 48.85 57.28 2.12 o
-4 9 2 166.30 173.07 4.03 o
-3 9 2 83.80 87.98 3.00 o
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0 9 2 407.75 397.80 10.75 o
1 9 2 96.20 119.66 3.39 o
2 9 2 37.85 30.56 2.71 o
3 9 2 17.85 18.92 2.20 o
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5 9 2 29.90 45.89 3.90 o
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-7 10 2 409.00 423.86 9.92 o
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-5 10 2 43.00 50.09 1.96 o
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-3 10 2 1695.55 1676.88 45.05 o
-2 10 2 69.05 78.26 3.86 o
-1 10 2 56.60 59.02 3.61 o
0 10 2 19.25 18.45 2.01 o
1 10 2 76.30 78.39 3.93 o
2 10 2 43.90 42.54 3.07 o
3 10 2 13.55 11.62 3.40 o
-13 11 2 52.55 56.28 5.38 o
-12 11 2 175.90 156.40 9.51 o
-11 11 2 44.75 38.81 4.21 o
-10 11 2 8.95 8.52 2.08 o
-9 11 2 286.85 274.61 9.70 o
-8 11 2 133.05 154.25 5.14 o
-7 11 2 30.70 37.96 2.52 o
-6 11 2 237.05 221.02 10.47 o
-5 11 2 18.75 16.05 2.73 o
-4 11 2 379.45 406.60 12.63 o
-3 11 2 275.15 300.43 10.56 o
-2 11 2 117.60 123.59 5.73 o
-1 11 2 161.45 160.97 7.54 o
0 11 2 10.85 9.69 2.85 o
1 11 2 79.20 77.88 4.69 o
2 11 2 17.60 16.73 3.50 o
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-11 12 2 91.05 88.39 5.66 o
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-9 12 2 24.35 26.19 2.73 o
-8 12 2 23.50 28.11 3.00 o
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-1 12 2 6.25 8.53 3.58 o
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-4 8 6 43.80 50.20 4.54 o
-3 8 6 167.60 162.00 7.80 o
-2 8 6 30.30 26.73 2.20 o
-1 8 6 222.80 227.20 7.40 o
0 8 6 15.60 14.47 2.20 o
-7 9 6 156.85 157.40 11.66 o
-6 9 6 49.55 50.13 5.30 o
-5 9 6 117.80 110.97 5.90 o
-4 9 6 82.80 79.17 4.80 o
-3 9 6 -2.10 0.33 1.60 o
-2 9 6 30.60 33.74 2.40 o
-1 1 7 12.90 6.66 2.00 o
0 1 7 23.50 20.07 2.40 o
1 1 7 22.50 18.06 2.50 o
-3 2 7 57.85 55.19 6.65 o
-2 2 7 25.05 22.52 3.24 o
-1 2 7 44.20 46.21 2.40 o
0 2 7 90.80 84.33 4.10 o
1 2 7 48.60 45.38 3.10 o
2 2 7 174.60 171.77 10.57 o
-5 3 7 503.10 463.59 22.35 o
-4 3 7 71.85 73.25 5.79 o
-3 3 7 215.20 186.97 11.85 o
-2 3 7 141.20 151.69 9.25 o
-1 3 7 22.40 26.88 3.67 o
0 3 7 -2.45 1.01 3.23 o
1 3 7 128.70 114.71 8.40 o
2 3 7 131.95 132.16 8.52 o
3 3 7 153.45 152.85 8.96 o
-6 4 7 310.65 314.10 13.30 o
-5 4 7 96.85 106.96 5.41 o
-4 4 7 145.50 136.68 12.29 o
-3 4 7 108.75 111.53 9.15 o
-2 4 7 44.65 47.45 5.20 o
-1 4 7 6.90 1.47 3.76 o
0 4 7 11.35 14.11 2.53 o
1 4 7 25.40 37.70 4.85 o
2 4 7 15.90 17.05 2.98 o
-6 5 7 106.00 99.21 7.24 o
-5 5 7 142.45 130.75 10.10 o
-4 5 7 154.15 143.40 10.86 o
-3 5 7 109.85 108.50 8.56 o
-2 5 7 111.20 122.08 8.24 o
-1 5 7 115.95 131.00 7.53 o
0 5 7 112.40 111.12 7.36 o
1 5 7 104.30 112.51 7.22 o
-5 6 7 59.55 24.15 11.57 o
-4 6 7 23.60 13.09 12.98 o
-3 6 7 141.75 143.31 9.04 o
-2 6 7 56.40 58.88 5.60 o
-1 6 7 0.00 1.62 0.01 o