#------------------------------------------------------------------------------
#$Date: 2016-04-06 19:46:23 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181915 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/14/2241483.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2241483
_cell_angle_alpha                90.000
_cell_angle_beta                 97.074
_cell_angle_gamma                90.000
_cell_length_a                   5.8341
_cell_length_b                   10.4902
_cell_length_c                   16.6130
_exptl_crystal_F_000             468.00
_reflns_d_resolution_high        0.8369
_cod_data_source_file            wm5238Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' a in              P21/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            159.12
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status
1 0 0 3770.15 3976.02 106.20 o
2 0 0 24714.34 27283.80 702.04 o
3 0 0 2246.54 2317.23 68.24 o
4 0 0 8192.05 8625.74 376.22 o
5 0 0 63.25 50.33 15.97 o
6 0 0 32.85 49.48 20.23 o
1 1 0 1491.87 1587.56 29.72 o
2 1 0 2396.21 2538.01 47.83 o
3 1 0 1375.83 1351.27 32.40 o
4 1 0 1315.98 1365.91 39.07 o
5 1 0 343.03 358.45 19.24 o
6 1 0 373.17 388.72 26.32 o
0 2 0 6661.77 6088.65 211.64 o
1 2 0 927.34 924.79 18.84 o
2 2 0 16.26 18.85 2.43 o
3 2 0 3763.12 3843.01 84.28 o
4 2 0 3383.49 3435.55 92.33 o
5 2 0 3.27 17.95 10.53 o
6 2 0 22.36 24.12 15.57 o
1 3 0 14464.05 13954.95 255.56 o
2 3 0 103.40 88.22 4.38 o
3 3 0 4556.67 4774.64 110.24 o
4 3 0 918.88 888.37 23.51 o
5 3 0 585.67 608.35 27.14 o
6 3 0 951.99 997.60 48.06 o
0 4 0 847.55 859.00 37.40 o
1 4 0 1416.52 1410.27 40.39 o
2 4 0 8567.04 8405.73 178.96 o
3 4 0 647.96 672.91 18.80 o
4 4 0 9.86 -4.08 6.33 o
5 4 0 820.34 868.73 41.55 o
6 4 0 426.06 429.21 38.60 o
1 5 0 6154.73 6227.29 170.53 o
2 5 0 208.47 198.74 10.61 o
3 5 0 1684.26 1640.18 42.93 o
4 5 0 119.75 135.04 10.17 o
5 5 0 161.44 199.33 18.44 o
6 5 0 69.68 84.12 28.27 o
0 6 0 669.30 645.90 74.10 o
1 6 0 2675.57 2768.85 84.87 o
2 6 0 6487.95 6279.02 154.10 o
3 6 0 159.53 144.80 11.59 o
4 6 0 101.86 105.27 12.58 o
5 6 0 2385.87 2374.87 85.61 o
6 6 0 579.44 730.52 89.69 o
1 7 0 1940.54 2146.59 63.60 o
2 7 0 1.32 9.35 12.21 o
3 7 0 471.76 454.56 25.61 o
4 7 0 33.57 38.42 20.52 o
5 7 0 29.97 46.21 23.74 o
0 8 0 7.38 33.69 17.11 o
1 8 0 510.89 546.08 24.92 o
2 8 0 1466.16 1443.73 72.74 o
3 8 0 275.27 257.97 25.63 o
4 8 0 86.56 61.17 32.26 o
5 8 0 362.50 445.50 38.72 o
1 9 0 870.74 969.22 38.69 o
2 9 0 221.49 202.47 17.37 o
3 9 0 631.81 702.49 43.02 o
4 9 0 301.52 342.86 48.40 o
0 10 0 923.13 1160.62 60.39 o
1 10 0 275.05 323.79 21.76 o
2 10 0 36.79 0.64 18.27 o
3 10 0 343.28 378.22 27.61 o
4 10 0 292.83 338.82 39.56 o
1 11 0 82.40 68.73 17.03 o
2 11 0 15.47 3.54 18.50 o
3 11 0 12.58 -12.89 21.56 o
0 12 0 763.24 937.43 56.03 o
1 12 0 65.15 59.23 21.07 o
2 12 0 9.64 0.15 33.61 o
-6 1 1 900.53 957.23 46.46 o
-5 1 1 209.75 250.34 16.19 o
-4 1 1 1138.63 1211.25 31.06 o
-3 1 1 6913.82 7064.46 143.95 o
-2 1 1 54.00 59.88 5.66 o
-1 1 1 692.14 780.29 15.35 o
0 1 1 25318.20 23617.09 563.14 o
1 1 1 2365.09 2628.37 48.27 o
2 1 1 4325.16 4771.84 95.07 o
3 1 1 1717.73 1865.37 46.86 o
4 1 1 9280.28 9806.00 257.72 o
5 1 1 68.74 70.39 11.83 o
6 1 1 187.33 211.47 25.15 o
-6 2 1 1339.81 1451.84 61.77 o
-5 2 1 20.85 29.08 10.51 o
-4 2 1 2643.11 2624.58 58.91 o
-3 2 1 590.16 617.90 15.48 o
-2 2 1 2157.96 2253.08 42.86 o
-1 2 1 10260.88 10358.91 191.20 o
0 2 1 148.31 139.41 4.59 o
1 2 1 21447.00 21554.57 407.03 o
2 2 1 16.30 15.88 2.60 o
3 2 1 8551.04 8876.21 213.96 o
4 2 1 177.39 184.27 10.99 o
5 2 1 2509.37 2554.14 84.05 o
6 2 1 387.58 388.96 29.80 o
-6 3 1 178.10 204.68 28.90 o
-5 3 1 325.61 344.40 28.15 o
-4 3 1 579.42 601.75 17.43 o
-3 3 1 1003.62 1049.55 24.68 o
-2 3 1 1677.32 1737.10 37.27 o
-1 3 1 3863.96 3754.55 74.24 o
0 3 1 3243.21 3249.24 66.48 o
1 3 1 692.41 670.16 15.19 o
2 3 1 1940.13 1983.24 44.78 o
3 3 1 1970.76 2014.10 45.73 o
4 3 1 541.84 563.04 20.60 o
5 3 1 106.17 139.84 14.39 o
6 3 1 180.06 185.49 23.88 o
-6 4 1 354.99 411.07 74.74 o
-5 4 1 0.21 -4.38 11.97 o
-4 4 1 1165.55 1177.72 35.38 o
-3 4 1 1108.75 1115.85 30.90 o
-2 4 1 1901.82 1884.48 46.48 o
-1 4 1 5202.49 5065.43 116.87 o
0 4 1 1088.78 1030.01 22.14 o
1 4 1 7611.61 7647.61 163.88 o
2 4 1 3.80 12.39 4.31 o
3 4 1 5185.45 5168.21 119.01 o
4 4 1 74.78 88.04 8.09 o
5 4 1 1559.17 1550.02 64.10 o
6 4 1 127.78 182.52 29.24 o
-6 5 1 28.81 54.46 44.40 o
-5 5 1 2800.30 2827.45 97.39 o
-4 5 1 515.17 510.77 22.75 o
-3 5 1 111.78 117.82 7.68 o
-2 5 1 3699.16 3654.64 111.61 o
-1 5 1 3807.61 3731.93 106.55 o
0 5 1 1150.44 1259.01 58.20 o
1 5 1 248.34 225.34 11.01 o
2 5 1 10343.31 10108.83 244.86 o
3 5 1 794.30 782.44 23.28 o
4 5 1 442.25 444.04 18.02 o
5 5 1 936.24 1007.24 48.11 o
6 5 1 1238.30 1387.25 80.87 o
-6 6 1 3.79 4.11 26.72 o
-5 6 1 37.76 56.39 22.10 o
-4 6 1 31.79 24.19 17.09 o
-3 6 1 51.73 44.18 7.96 o
-2 6 1 95.73 107.55 10.18 o
-1 6 1 0.77 -1.71 7.09 o
0 6 1 35.94 38.55 9.74 o
1 6 1 30.09 61.88 14.08 o
2 6 1 2.22 -1.19 7.45 o
3 6 1 83.27 88.36 13.70 o
4 6 1 0.15 7.47 18.86 o
5 6 1 48.13 49.11 19.54 o
-5 7 1 1343.92 1451.64 87.57 o
-4 7 1 52.91 65.45 14.22 o
-3 7 1 261.18 262.88 15.77 o
-2 7 1 2603.79 2523.89 72.59 o
-1 7 1 4524.88 4858.20 133.60 o
0 7 1 25.61 4.09 10.10 o
1 7 1 269.09 264.87 21.72 o
2 7 1 4188.16 4080.38 120.78 o
3 7 1 177.66 196.57 13.65 o
4 7 1 267.83 298.33 23.99 o
5 7 1 696.46 624.86 87.02 o
-5 8 1 2.45 -15.91 24.77 o
-4 8 1 452.32 455.15 41.74 o
-3 8 1 188.35 186.57 17.91 o
-2 8 1 480.30 493.37 23.23 o
-1 8 1 1529.53 1584.70 51.97 o
0 8 1 495.70 539.55 25.50 o
1 8 1 2208.61 2412.05 111.00 o
2 8 1 260.02 267.96 18.76 o
3 8 1 1113.61 1171.20 48.42 o
4 8 1 5.00 -9.91 24.95 o
5 8 1 301.28 286.30 83.62 o
-4 9 1 216.97 243.01 47.51 o
-3 9 1 523.36 517.08 35.34 o
-2 9 1 525.20 535.15 25.64 o
-1 9 1 293.54 290.27 19.76 o
0 9 1 141.96 130.44 15.60 o
1 9 1 260.20 312.65 20.26 o
2 9 1 535.34 491.55 24.39 o
3 9 1 455.64 437.97 35.47 o
4 9 1 242.87 190.78 25.21 o
-4 10 1 241.22 317.42 55.14 o
-3 10 1 22.03 31.86 18.10 o
-2 10 1 347.55 383.91 27.22 o
-1 10 1 92.30 102.57 15.88 o
0 10 1 155.26 182.95 23.23 o
1 10 1 199.94 238.66 19.76 o
2 10 1 0.24 -5.00 13.78 o
3 10 1 240.18 227.40 23.28 o
4 10 1 55.99 117.08 33.88 o
-3 11 1 619.59 680.91 43.18 o
-2 11 1 0.63 16.38 18.39 o
-1 11 1 0.40 -13.72 15.69 o
0 11 1 1038.66 1241.69 45.73 o
1 11 1 521.36 584.70 62.34 o
2 11 1 18.78 37.67 19.88 o
3 11 1 122.87 136.57 23.92 o
-2 12 1 0.18 -33.54 33.54 o
-1 12 1 6.03 -0.34 19.99 o
0 12 1 0.20 20.66 17.72 o
1 12 1 6.33 16.32 20.27 o
-6 0 2 3054.77 3432.39 220.22 o
-5 0 2 277.28 267.22 26.94 o
-4 0 2 196.70 229.82 13.32 o
-3 0 2 7150.84 7444.03 195.32 o
-2 0 2 2278.86 2456.24 65.42 o
-1 0 2 1168.22 1198.54 37.63 o
0 0 2 19330.67 19126.03 697.63 o
1 0 2 9039.31 9853.30 254.55 o
2 0 2 4411.71 5143.21 158.10 o
3 0 2 168.51 152.42 13.78 o
4 0 2 10814.90 10834.82 471.66 o
5 0 2 1332.11 1406.96 70.82 o
6 0 2 740.34 822.92 91.46 o
-6 1 2 258.33 293.42 22.70 o
-5 1 2 144.34 165.90 16.88 o
-4 1 2 1488.10 1636.63 38.19 o
-3 1 2 266.77 262.48 8.69 o
-2 1 2 3573.59 3917.03 73.03 o
-1 1 2 3031.57 3015.10 66.78 o
0 1 2 1400.28 1503.97 28.06 o
1 1 2 1950.09 2024.57 42.11 o
2 1 2 62.52 53.13 4.25 o
3 1 2 496.15 483.52 15.92 o
4 1 2 12.71 12.63 4.79 o
5 1 2 1032.23 1000.09 37.84 o
6 1 2 3.37 19.47 13.76 o
-6 2 2 1013.00 984.77 58.87 o
-5 2 2 1.78 -2.64 9.17 o
-4 2 2 162.45 164.62 7.57 o
-3 2 2 7299.12 7416.90 151.66 o
-2 2 2 2915.56 3090.78 58.09 o
-1 2 2 1390.33 1396.42 32.30 o
0 2 2 1951.32 2011.17 38.38 o
1 2 2 7004.29 7362.93 135.65 o
2 2 2 194.43 199.60 6.45 o
3 2 2 977.45 1014.61 29.97 o
4 2 2 3659.99 3733.09 100.28 o
5 2 2 321.41 310.58 18.67 o
6 2 2 45.28 28.98 15.78 o
-6 3 2 715.63 767.36 74.59 o
-5 3 2 1555.29 1604.61 58.23 o
-4 3 2 2845.81 2849.40 67.00 o
-3 3 2 1248.58 1248.36 28.74 o
-2 3 2 5346.59 5368.13 125.39 o
-1 3 2 35.53 22.43 3.41 o
0 3 2 4763.66 4838.45 91.15 o
1 3 2 4877.85 4932.48 95.93 o
2 3 2 1868.16 1860.03 49.66 o
3 3 2 4992.33 5184.68 121.74 o
4 3 2 215.95 218.92 13.78 o
5 3 2 2460.58 2450.60 81.63 o
6 3 2 13.96 22.32 16.99 o
-6 4 2 2.23 -20.91 20.91 o
-5 4 2 1433.33 1455.70 67.76 o
-4 4 2 1093.45 1065.70 32.71 o
-3 4 2 23.28 27.12 5.58 o
-2 4 2 2421.34 2307.27 57.75 o
-1 4 2 8319.43 7998.56 249.20 o
0 4 2 229.74 239.24 9.74 o
1 4 2 204.36 253.39 9.94 o
2 4 2 9267.63 9390.29 214.40 o
3 4 2 1853.84 1891.00 50.00 o
4 4 2 333.91 297.09 15.61 o
5 4 2 156.91 173.82 21.61 o
6 4 2 1305.83 1265.53 58.21 o
-6 5 2 5.27 -26.64 26.64 o
-5 5 2 237.94 220.52 25.12 o
-4 5 2 31.99 37.93 10.71 o
-3 5 2 4.46 16.85 5.80 o
-2 5 2 105.44 97.65 6.24 o
-1 5 2 571.12 580.14 18.36 o
0 5 2 410.63 397.03 15.48 o
1 5 2 768.59 853.18 27.37 o
2 5 2 523.87 521.70 19.50 o
3 5 2 724.26 752.96 23.81 o
4 5 2 175.64 177.60 13.64 o
5 5 2 323.33 340.45 44.84 o
6 5 2 2.80 40.97 25.55 o
-6 6 2 23.75 90.34 29.06 o
-5 6 2 2077.96 2111.09 114.37 o
-4 6 2 1255.51 1149.91 46.18 o
-3 6 2 755.09 660.41 23.89 o
-2 6 2 505.95 535.83 18.76 o
-1 6 2 8219.99 8147.35 248.83 o
0 6 2 513.14 613.55 26.80 o
1 6 2 134.68 133.79 11.18 o
2 6 2 3682.14 3712.07 113.70 o
3 6 2 1766.39 1725.21 79.05 o
4 6 2 365.46 397.69 26.12 o
5 6 2 228.47 252.60 25.38 o
-5 7 2 101.68 108.08 26.16 o
-4 7 2 129.91 155.75 16.07 o
-3 7 2 14.21 15.54 13.45 o
-2 7 2 96.94 78.10 9.93 o
-1 7 2 179.43 194.03 14.67 o
0 7 2 152.07 172.20 14.02 o
1 7 2 635.93 636.68 32.12 o
2 7 2 306.04 279.02 23.14 o
3 7 2 589.36 544.90 22.92 o
4 7 2 128.54 130.07 18.38 o
5 7 2 250.26 229.35 26.47 o
-5 8 2 237.50 236.85 35.43 o
-4 8 2 797.10 801.64 51.44 o
-3 8 2 180.61 174.92 18.16 o
-2 8 2 399.81 403.59 24.73 o
-1 8 2 1140.54 1187.17 45.71 o
0 8 2 70.16 85.64 13.35 o
1 8 2 63.59 63.25 15.99 o
2 8 2 1485.17 1513.48 88.29 o
3 8 2 839.55 812.01 30.93 o
4 8 2 22.81 8.82 17.64 o
5 8 2 122.89 123.71 35.22 o
-4 9 2 384.58 369.81 44.84 o
-3 9 2 1.28 13.68 15.15 o
-2 9 2 1137.33 1157.94 40.92 o
-1 9 2 159.48 183.14 17.23 o
0 9 2 1185.62 1347.60 68.80 o
1 9 2 556.91 606.71 27.61 o
2 9 2 332.27 349.16 31.30 o
3 9 2 738.36 723.50 35.14 o
4 9 2 27.85 -1.85 20.44 o
-4 10 2 52.69 11.32 28.72 o
-3 10 2 743.74 804.81 45.74 o
-2 10 2 230.96 240.81 22.93 o
-1 10 2 7.67 21.83 14.26 o
0 10 2 746.37 877.20 54.74 o
1 10 2 956.52 1086.64 55.09 o
2 10 2 17.99 16.53 14.42 o
3 10 2 42.07 38.35 20.62 o
4 10 2 374.50 404.93 68.08 o
-3 11 2 16.10 30.09 22.55 o
-2 11 2 32.64 27.42 19.14 o
-1 11 2 1.43 -1.62 15.81 o
0 11 2 50.65 56.53 17.19 o
1 11 2 21.46 7.25 15.65 o
2 11 2 49.97 43.43 19.68 o
3 11 2 13.31 -12.25 19.59 o
-1 12 2 1.46 -2.26 20.41 o
0 12 2 336.38 348.64 25.08 o
1 12 2 469.34 471.29 30.09 o
-6 1 3 3085.06 3187.37 149.34 o
-5 1 3 62.85 82.43 10.35 o
-4 1 3 728.58 766.29 22.83 o
-3 1 3 6556.47 6806.84 132.50 o
-2 1 3 9481.01 10171.50 188.01 o
-1 1 3 2277.13 2306.03 48.55 o
0 1 3 60.11 58.24 2.48 o
1 1 3 18964.14 20746.38 380.22 o
2 1 3 737.84 754.47 17.87 o
3 1 3 448.25 445.74 15.04 o
4 1 3 3775.81 3850.74 121.98 o
5 1 3 2270.63 2291.71 76.34 o
6 1 3 239.13 245.67 19.51 o
-6 2 3 188.54 226.76 27.80 o
-5 2 3 1913.96 1947.18 148.44 o
-4 2 3 2020.59 2028.96 61.08 o
-3 2 3 4086.75 4237.27 97.84 o
-2 2 3 6464.28 6636.28 143.11 o
-1 2 3 4677.42 4724.77 87.97 o
0 2 3 7143.63 7328.44 139.84 o
1 2 3 274.13 250.37 8.88 o
2 2 3 2942.04 2817.98 66.13 o
3 2 3 742.08 750.78 28.57 o
4 2 3 760.50 744.90 25.87 o
5 2 3 1338.41 1300.76 47.37 o
6 2 3 63.39 76.55 20.42 o
-6 3 3 222.32 268.17 36.70 o
-5 3 3 196.87 224.43 16.65 o
-4 3 3 336.44 347.11 18.98 o
-3 3 3 1373.04 1425.90 40.88 o
-2 3 3 3532.86 3680.46 92.80 o
-1 3 3 2222.40 2198.50 42.85 o
0 3 3 1187.88 1156.20 23.79 o
1 3 3 2104.63 2190.00 43.99 o
2 3 3 2375.72 2461.99 55.06 o
3 3 3 1127.68 1117.86 28.87 o
4 3 3 414.81 401.66 17.56 o
5 3 3 228.23 252.38 17.58 o
6 3 3 240.61 288.97 24.82 o
-6 4 3 5.49 15.39 43.81 o
-5 4 3 1431.73 1347.68 126.24 o
-4 4 3 237.76 254.88 22.52 o
-3 4 3 1349.53 1282.17 42.58 o
-2 4 3 2427.94 2252.25 62.84 o
-1 4 3 328.26 289.53 10.78 o
0 4 3 5420.75 5479.92 124.48 o
1 4 3 69.17 68.73 5.71 o
2 4 3 3712.02 3585.63 90.63 o
3 4 3 784.97 774.10 23.20 o
4 4 3 1431.54 1389.77 50.23 o
5 4 3 874.00 862.21 35.80 o
6 4 3 287.70 308.71 26.58 o
-6 5 3 219.54 254.29 48.84 o
-5 5 3 1222.61 1136.73 58.18 o
-4 5 3 4737.08 4522.95 136.02 o
-3 5 3 57.45 51.53 7.29 o
-2 5 3 371.51 377.85 12.58 o
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0 5 3 3590.65 3588.58 97.97 o
1 5 3 83.85 81.72 8.39 o
2 5 3 1335.74 1329.96 39.52 o
3 5 3 3471.92 3415.10 87.51 o
4 5 3 2.41 4.40 9.55 o
5 5 3 11.84 -11.13 15.59 o
6 5 3 1241.38 1345.89 62.75 o
-6 6 3 0.84 8.33 26.94 o
-5 6 3 39.21 51.77 21.71 o
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-3 6 3 68.78 75.21 12.01 o
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-1 6 3 2.52 -3.08 7.32 o
0 6 3 157.00 162.82 12.32 o
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2 6 3 18.12 19.70 8.22 o
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5 6 3 34.73 17.96 28.86 o
-5 7 3 370.02 325.73 61.64 o
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2 7 3 896.78 906.51 50.79 o
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4 7 3 10.20 -5.06 14.90 o
5 7 3 11.96 11.79 20.31 o
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-4 8 3 87.64 106.37 19.44 o
-3 8 3 426.77 489.10 32.99 o
-2 8 3 311.74 337.40 18.98 o
-1 8 3 9.82 0.21 11.17 o
0 8 3 933.66 961.63 34.81 o
1 8 3 235.20 258.90 17.20 o
2 8 3 1243.54 1245.54 81.50 o
3 8 3 319.50 313.12 18.58 o
4 8 3 532.57 500.62 32.24 o
5 8 3 192.66 213.65 29.80 o
-4 9 3 208.39 182.46 24.23 o
-3 9 3 637.58 599.41 36.61 o
-2 9 3 561.63 501.33 28.84 o
-1 9 3 156.20 126.27 15.73 o
0 9 3 81.43 63.49 16.83 o
1 9 3 335.72 375.45 30.65 o
2 9 3 590.11 576.19 45.54 o
3 9 3 508.58 530.26 29.68 o
4 9 3 196.77 158.58 24.17 o
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-2 10 3 136.27 123.62 19.74 o
-1 10 3 231.34 237.78 21.71 o
0 10 3 181.35 199.24 18.95 o
1 10 3 38.55 25.68 20.60 o
2 10 3 114.54 131.45 18.45 o
3 10 3 18.22 1.24 18.05 o
-3 11 3 399.75 416.24 34.91 o
-2 11 3 348.15 350.40 27.96 o
-1 11 3 1.58 -7.89 17.79 o
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2 11 3 35.31 25.13 19.72 o
3 11 3 8.12 -5.16 33.36 o
-1 12 3 6.46 3.37 19.63 o
0 12 3 4.85 -10.10 17.22 o
1 12 3 6.70 -0.01 17.72 o
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-3 0 4 2193.82 2179.36 59.54 o
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