#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:35:31 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181869 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/99/2019919.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_2019919
_cell_angle_alpha                90
_cell_angle_beta                 101.946(4)
_cell_angle_gamma                90
_cell_length_a                   19.1669(10)
_cell_length_b                   4.9965(2)
_cell_length_c                   21.2416(11)
_exptl_crystal_F_000             808
_reflns_d_resolution_high        0.8378
_cod_data_source_file            fn3190Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '   '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            179.51
_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
2 0 0 6345.51 6446.22 39.35 o
3 0 0 32.90 26.36 3.15 o
4 0 0 22949.10 25580.20 116.02 o
5 0 0 544.29 643.83 20.23 o
6 0 0 465.58 500.31 26.63 o
7 0 0 6664.83 8046.80 117.35 o
8 0 0 2664.21 3316.33 81.87 o
9 0 0 785.83 991.38 47.17 o
10 0 0 118.42 100.86 16.32 o
11 0 0 226.31 256.58 16.74 o
12 0 0 150.92 148.39 13.80 o
13 0 0 861.01 857.57 33.97 o
14 0 0 368.91 388.78 25.25 o
15 0 0 0.54 2.45 3.82 <
16 0 0 1283.85 1333.87 50.21 o
17 0 0 49.10 44.36 10.50 o
18 0 0 787.02 910.55 42.55 o
19 0 0 986.86 1186.70 47.87 o
20 0 0 5.79 0.80 3.18 <
21 0 0 122.15 120.48 13.47 o
22 0 0 419.77 392.14 21.76 o
1 1 0 18.46 29.13 4.09 o
2 1 0 1246.55 1269.64 30.06 o
3 1 0 1166.62 1135.34 32.26 o
4 1 0 6688.68 6973.71 89.74 o
5 1 0 275.38 299.55 19.27 o
6 1 0 0.72 0.45 2.70 <
7 1 0 1535.03 1727.98 33.05 o
8 1 0 94.17 146.10 10.52 o
9 1 0 82.98 81.19 8.73 o
10 1 0 13.34 40.33 5.90 o
11 1 0 650.50 725.57 30.42 o
12 1 0 1138.58 1135.45 39.37 o
13 1 0 474.08 486.59 27.09 o
14 1 0 733.85 651.16 23.69 o
15 1 0 727.73 670.46 20.14 o
16 1 0 1128.00 1191.25 33.52 o
17 1 0 1185.13 1297.34 35.54 o
18 1 0 15.51 14.19 4.25 o
19 1 0 104.80 122.16 8.90 o
20 1 0 70.27 82.31 8.90 o
21 1 0 17.42 14.81 3.02 o
22 1 0 101.80 85.27 10.21 o
0 2 0 1.65 -0.82 1.19 <
1 2 0 208.74 184.04 9.98 o
2 2 0 887.03 854.66 32.35 o
3 2 0 565.77 563.30 27.64 o
4 2 0 2.30 12.01 4.48 <
5 2 0 116.68 135.62 15.54 o
6 2 0 3743.33 3623.28 80.66 o
7 2 0 1179.24 1275.70 39.52 o
8 2 0 0.02 4.92 3.40 <
9 2 0 7.59 5.20 2.51 <
10 2 0 74.70 61.53 7.56 o
11 2 0 12.52 22.20 7.45 <
12 2 0 48.11 37.19 8.03 o
13 2 0 225.02 202.49 18.81 o
14 2 0 10.91 7.22 5.60 <
15 2 0 407.82 462.46 17.66 o
16 2 0 214.04 216.46 12.11 o
17 2 0 18.34 17.53 4.07 o
18 2 0 13.38 10.58 3.25 o
19 2 0 0.25 -1.51 2.41 <
20 2 0 42.64 53.73 5.25 o
1 3 0 313.42 352.31 10.84 o
2 3 0 0.73 0.23 1.11 <
3 3 0 8.67 -0.45 1.90 <
4 3 0 4.29 -0.58 1.84 <
5 3 0 214.10 176.07 11.24 o
6 3 0 67.35 68.92 9.63 o
7 3 0 52.60 59.94 8.86 o
8 3 0 466.25 424.14 25.19 o
9 3 0 113.64 100.60 12.66 o
10 3 0 682.51 590.89 30.72 o
11 3 0 226.04 202.22 13.66 o
12 3 0 2352.69 2190.29 61.60 o
13 3 0 448.99 510.64 21.89 o
14 3 0 400.94 402.11 16.14 o
15 3 0 234.66 240.48 15.08 o
16 3 0 243.80 282.99 15.74 o
17 3 0 641.61 703.45 23.44 o
18 3 0 1.35 4.12 3.76 <
19 3 0 431.01 441.20 23.01 o
0 4 0 1429.92 1342.95 49.90 o
1 4 0 297.07 291.02 16.34 o
2 4 0 2707.91 2707.42 49.16 o
3 4 0 1412.68 1390.35 33.87 o
4 4 0 811.95 678.92 31.75 o
5 4 0 976.86 1027.08 31.22 o
6 4 0 72.81 62.28 8.27 o
7 4 0 604.95 644.00 25.40 o
8 4 0 243.32 229.88 15.40 o
9 4 0 5.66 3.04 2.26 <
10 4 0 771.07 724.24 25.33 o
11 4 0 14.59 10.21 3.40 o
12 4 0 368.41 350.29 16.84 o
13 4 0 8.29 6.19 4.81 <
14 4 0 323.92 319.42 22.41 o
15 4 0 0.46 2.16 2.40 <
16 4 0 15.03 9.17 2.78 o
1 5 0 152.28 154.40 12.54 o
2 5 0 0.64 -1.80 2.88 <
3 5 0 30.19 17.09 7.73 <
4 5 0 59.31 57.53 11.88 o
5 5 0 994.46 1161.82 47.07 o
6 5 0 108.90 101.26 14.03 o
7 5 0 162.62 181.17 17.95 o
8 5 0 40.28 29.86 6.94 o
9 5 0 305.81 283.86 20.65 o
10 5 0 117.60 113.64 12.53 o
11 5 0 117.40 80.42 9.65 o
-22 1 1 276.07 286.63 18.69 o
-21 1 1 40.21 41.08 5.75 o
-20 1 1 89.65 94.46 9.53 o
-19 1 1 0.51 1.45 3.51 <
-18 1 1 172.02 186.82 13.46 o
-17 1 1 149.83 158.08 12.60 o
-16 1 1 170.73 178.06 13.24 o
-15 1 1 598.92 652.62 34.98 o
-14 1 1 15.17 4.66 2.43 <
-13 1 1 10.06 12.44 4.43 <
-12 1 1 1.85 -0.14 2.25 <
-11 1 1 120.72 118.25 10.84 o
-10 1 1 569.83 646.65 31.34 o
-9 1 1 1100.21 1342.00 41.83 o
-8 1 1 57.76 49.26 7.79 o
-7 1 1 400.68 426.03 19.91 o
-6 1 1 128.27 369.28 23.70 o
-5 1 1 340.20 434.19 25.22 o
-4 1 1 9894.15 10413.50 113.40 o
-3 1 1 6783.97 6617.62 82.04 o
-2 1 1 11106.50 9703.72 88.26 o
-1 1 1 1.94 1.37 1.61 <
0 1 1 502.61 381.01 11.15 o
1 1 1 75.74 75.13 5.84 o
2 1 1 25997.60 23612.80 127.56 o
3 1 1 2705.64 2626.75 46.00 o
4 1 1 1511.63 1436.00 28.90 o
5 1 1 1238.39 1300.60 30.80 o
6 1 1 110.73 120.82 8.51 o
7 1 1 8085.36 9988.05 83.24 o
8 1 1 2197.84 2787.13 47.69 o
9 1 1 567.21 645.20 29.97 o
10 1 1 1407.51 1564.34 50.13 o
11 1 1 421.43 519.64 22.33 o
12 1 1 449.25 451.89 25.18 o
13 1 1 67.36 47.66 6.80 o
14 1 1 495.78 474.10 16.91 o
15 1 1 69.25 69.11 6.97 o
16 1 1 29.92 25.76 6.00 o
17 1 1 68.00 71.10 9.30 o
18 1 1 74.63 77.88 7.50 o
19 1 1 0.09 3.54 2.56 <
20 1 1 0.36 1.36 2.52 <
21 1 1 195.13 155.04 10.03 o
-20 2 1 242.94 231.33 10.58 o
-19 2 1 150.82 152.57 9.25 o
-18 2 1 68.58 84.03 7.52 o
-17 2 1 1065.58 1276.65 28.90 o
-16 2 1 159.49 172.20 10.88 o
-15 2 1 2503.86 2720.47 70.96 o
-14 2 1 1574.39 1456.95 49.53 o
-13 2 1 377.62 356.84 24.23 o
-12 2 1 544.89 509.94 28.07 o
-11 2 1 324.19 307.63 17.99 o
-10 2 1 6508.26 6602.62 109.10 o
-9 2 1 105.69 80.69 8.75 o
-8 2 1 5134.31 5304.90 85.24 o
-7 2 1 2693.06 2538.37 73.83 o
-6 2 1 1236.96 1343.74 53.17 o
-5 2 1 78.11 643.14 34.35 o
-4 2 1 141.95 123.15 14.26 o
-3 2 1 3.95 3.44 2.21 <
-2 2 1 697.74 606.29 27.84 o
-1 2 1 866.58 828.33 20.41 o
0 2 1 862.28 672.27 18.41 o
1 2 1 302.03 292.99 12.81 o
2 2 1 1090.26 996.19 32.10 o
3 2 1 1268.87 1206.32 38.12 o
4 2 1 180.58 150.12 14.44 o
5 2 1 1822.74 1578.11 48.30 o
6 2 1 166.54 148.97 12.85 o
7 2 1 174.24 164.83 14.61 o
8 2 1 1507.10 1610.97 48.45 o
9 2 1 1088.36 1065.08 41.71 o
10 2 1 2076.04 1988.50 52.85 o
11 2 1 352.73 358.33 23.07 o
12 2 1 1853.67 1762.21 40.38 o
13 2 1 74.09 69.31 8.47 o
14 2 1 1885.51 2064.64 36.80 o
15 2 1 287.03 322.48 14.92 o
16 2 1 640.39 737.76 22.56 o
17 2 1 314.33 363.63 15.63 o
18 2 1 5.60 6.40 2.98 <
19 2 1 1111.73 1257.34 26.08 o
20 2 1 21.80 23.18 6.98 o
-19 3 1 558.39 593.02 26.79 o
-18 3 1 3.59 2.14 2.04 <
-17 3 1 41.07 45.08 6.53 o
-16 3 1 14.07 11.05 3.76 <
-15 3 1 10.14 6.02 3.28 <
-14 3 1 0.33 -6.19 3.69 <
-13 3 1 17.85 16.61 6.22 <
-12 3 1 33.25 28.50 5.14 o
-11 3 1 91.90 62.95 7.56 o
-10 3 1 1466.66 1339.46 47.20 o
-9 3 1 1175.71 1108.55 41.70 o
-8 3 1 83.30 61.27 9.25 o
-7 3 1 378.21 350.42 21.67 o
-6 3 1 148.66 124.74 9.71 o
-5 3 1 850.31 821.41 24.34 o
-4 3 1 434.85 402.59 11.66 o
-3 3 1 672.23 570.66 16.17 o
-2 3 1 55.88 37.26 3.70 o
-1 3 1 31.93 22.41 2.80 o
0 3 1 1559.25 1331.55 20.98 o
1 3 1 81.29 82.50 5.33 o
2 3 1 20.07 34.99 3.16 o
3 3 1 1538.12 1431.64 31.74 o
4 3 1 1748.08 1562.01 33.29 o
5 3 1 1386.93 1253.49 38.36 o
6 3 1 665.83 635.37 28.49 o
7 3 1 3380.58 3131.10 65.97 o
8 3 1 110.00 95.46 12.09 o
9 3 1 411.19 329.60 22.51 o
10 3 1 316.95 294.78 22.75 o
11 3 1 160.58 157.81 8.92 o
12 3 1 222.73 194.62 11.26 o
13 3 1 174.66 206.74 11.60 o
14 3 1 7.62 7.64 2.86 <
15 3 1 98.14 101.90 8.23 o
16 3 1 3.21 5.86 2.31 <
17 3 1 17.99 15.93 4.13 o
18 3 1 54.61 69.96 10.47 o
-16 4 1 0.26 -3.38 2.51 <
-15 4 1 224.78 180.93 11.26 o
-14 4 1 282.04 314.42 22.21 o
-13 4 1 148.86 136.44 10.19 o
-12 4 1 4.70 0.89 3.00 <
-11 4 1 60.53 52.61 7.07 o
-10 4 1 0.28 0.77 2.79 <
-9 4 1 296.16 283.81 15.92 o
-8 4 1 58.21 56.74 8.05 o
-7 4 1 331.85 340.82 18.38 o
-6 4 1 69.21 60.83 7.95 o
-5 4 1 77.82 71.29 8.23 o
-4 4 1 506.04 552.01 22.88 o
-3 4 1 1.10 -0.46 3.03 <
-2 4 1 45.69 50.95 7.21 o
-1 4 1 143.47 140.02 9.10 o
0 4 1 233.89 246.68 12.01 o
1 4 1 47.49 48.38 5.73 o
2 4 1 166.50 158.99 9.92 o
3 4 1 54.81 41.64 5.37 o
4 4 1 20.35 22.09 5.28 o
5 4 1 67.77 83.33 9.54 o
6 4 1 97.22 84.75 9.63 o
7 4 1 257.59 255.71 16.31 o
8 4 1 92.91 109.04 10.96 o
9 4 1 20.09 14.81 3.71 o
10 4 1 23.23 20.93 4.72 o
11 4 1 1.69 -0.31 1.79 <
12 4 1 65.30 70.71 7.60 o
13 4 1 246.59 240.73 20.11 o
14 4 1 108.53 107.98 9.44 o
15 4 1 10.01 7.39 2.51 <
16 4 1 89.70 61.78 8.50 o
-11 5 1 6.57 2.99 2.80 <
-10 5 1 13.97 14.96 4.74 o
-9 5 1 0.25 0.78 2.05 <
-8 5 1 17.27 24.05 6.71 o
-7 5 1 216.82 241.88 20.58 o
-6 5 1 108.83 125.91 15.53 o
-5 5 1 316.38 393.32 27.48 o
-4 5 1 104.61 102.51 14.92 o
-3 5 1 608.54 744.82 38.39 o
-2 5 1 956.29 1083.40 46.80 o
-1 5 1 21.48 21.44 5.20 o
0 5 1 1280.99 1444.84 38.01 o
1 5 1 87.18 92.65 9.97 o
2 5 1 2708.81 2945.09 53.31 o
3 5 1 289.86 343.45 26.47 o
4 5 1 764.47 957.65 43.55 o
5 5 1 793.07 1057.11 45.24 o
6 5 1 0.54 -2.14 4.39 <
7 5 1 71.19 92.73 13.29 o
8 5 1 2.39 2.39 3.30 <
9 5 1 186.19 213.13 17.85 o
10 5 1 243.03 210.67 16.64 o
-22 0 2 18.04 27.98 6.32 o
-21 0 2 238.68 224.00 18.55 o
-20 0 2 3.07 1.00 4.84 <
-19 0 2 567.49 609.25 34.15 o
-18 0 2 844.63 859.14 40.47 o
-17 0 2 640.65 659.24 35.46 o
-16 0 2 7.21 3.98 4.26 <
-15 0 2 1024.49 1046.56 43.58 o
-14 0 2 33.62 23.05 7.09 o
-13 0 2 35.99 42.86 8.69 o
-12 0 2 484.67 470.39 22.21 o
-11 0 2 2367.37 2708.25 81.29 o
-10 0 2 184.79 214.91 21.84 o
-9 0 2 585.00 735.09 29.39 o
-8 0 2 21.21 33.40 6.27 o
-7 0 2 594.29 678.32 23.48 o
-6 0 2 2585.07 2917.61 44.36 o
-5 0 2 989.34 1090.86 23.73 o
-4 0 2 14309.80 14375.00 75.06 o
-3 0 2 138.22 183.42 12.02 o
-2 0 2 13395.90 13873.70 89.33 o
-1 0 2 1024.41 926.14 17.20 o
0 0 2 6857.80 5469.81 47.83 o
1 0 2 607.85 580.69 18.24 o
2 0 2 3178.64 3370.15 51.38 o
3 0 2 16379.80 18040.00 139.39 o
4 0 2 18827.80 20973.40 167.72 o
5 0 2 87.02 140.97 14.94 o
6 0 2 3372.71 3722.58 81.44 o
7 0 2 863.19 892.43 42.37 o
8 0 2 56.48 43.50 10.73 o
9 0 2 234.10 158.67 21.31 o
10 0 2 284.69 341.58 33.21 o
11 0 2 46.67 39.12 8.13 o
12 0 2 332.96 302.66 14.23 o
13 0 2 52.53 40.94 5.96 o
14 0 2 1537.26 1480.75 35.76 o
15 0 2 120.50 160.12 18.15 o
16 0 2 152.80 173.62 19.32 o
17 0 2 38.44 39.66 9.56 o
18 0 2 176.39 199.05 20.46 o
19 0 2 67.27 74.18 8.41 o
20 0 2 17.79 14.96 5.55 <
21 0 2 0.35 0.26 2.47 <
-22 1 2 13.71 8.97 2.86 o
-21 1 2 107.06 108.10 9.38 o
-20 1 2 852.01 836.66 25.77 o
-19 1 2 310.14 317.10 16.77 o
-18 1 2 67.07 65.98 8.21 o
-17 1 2 3142.93 3371.97 56.67 o
-16 1 2 348.55 387.21 27.96 o
-15 1 2 1322.04 1469.12 52.92 o
-14 1 2 477.16 454.73 25.74 o
-13 1 2 731.13 675.24 30.64 o
-12 1 2 336.35 337.03 18.89 o
-11 1 2 367.18 334.60 17.66 o
-10 1 2 4154.58 4595.68 82.16 o
-9 1 2 164.91 188.01 15.68 o
-8 1 2 1173.02 1164.25 35.30 o
-7 1 2 79.07 86.29 12.73 o
-6 1 2 760.84 847.40 39.27 o
-5 1 2 1118.15 1207.39 42.91 o
-4 1 2 265.23 319.27 20.16 o
-3 1 2 22596.90 21680.30 158.25 o
-2 1 2 2722.67 2423.38 46.34 o
-1 1 2 5585.37 4748.76 62.21 o
0 1 2 3.05 3.36 0.82 o
1 1 2 17989.20 14487.80 70.92 o
2 1 2 1826.66 1791.05 26.64 o
3 1 2 11079.60 11099.40 76.56 o
4 1 2 686.92 721.70 21.68 o
5 1 2 260.21 264.48 14.26 o
6 1 2 580.02 702.19 21.21 o
7 1 2 18.35 13.22 5.16 <
8 1 2 322.33 390.98 23.44 o
9 1 2 658.22 789.53 35.09 o
10 1 2 351.48 471.42 29.04 o
11 1 2 185.29 195.03 14.05 o
12 1 2 1157.23 1196.16 31.13 o
13 1 2 17.53 17.31 3.42 o
14 1 2 1693.01 1622.43 31.99 o
15 1 2 1995.70 1901.18 35.16 o
16 1 2 1180.47 1351.98 36.71 o
17 1 2 931.43 1051.37 26.78 o
18 1 2 168.63 191.90 11.43 o
19 1 2 403.74 486.39 21.36 o
20 1 2 32.70 33.82 5.38 o
21 1 2 253.38 281.59 19.49 o
-21 2 2 22.82 18.48 4.81 o
-20 2 2 19.98 12.83 2.98 o
-19 2 2 14.04 8.97 2.86 o
-18 2 2 14.33 16.50 3.58 o
-17 2 2 64.44 70.36 7.05 o
-16 2 2 119.61 129.35 15.50 o
-15 2 2 1.23 -1.40 5.16 <
-14 2 2 1.71 6.61 5.52 <
-13 2 2 484.81 470.44 27.06 o
-12 2 2 469.79 441.83 22.64 o
-11 2 2 15.79 21.61 4.83 o
-10 2 2 34.54 43.81 5.52 o
-9 2 2 198.52 172.76 9.85 o
-8 2 2 280.20 287.78 26.94 o
-7 2 2 215.19 230.34 24.47 o
-6 2 2 0.35 0.25 2.48 <
-5 2 2 722.68 726.10 38.03 o
-4 2 2 25.73 13.46 5.52 <
-3 2 2 404.31 439.03 26.45 o
-2 2 2 125.66 107.97 8.04 o
-1 2 2 44.09 36.17 4.42 o
0 2 2 37.96 23.44 3.58 o
1 2 2 660.62 591.62 18.23 o
2 2 2 956.31 895.27 28.18 o
3 2 2 345.64 285.00 16.41 o
4 2 2 4076.42 4177.86 59.11 o
5 2 2 1511.39 1670.84 40.73 o
6 2 2 481.73 556.83 25.27 o
7 2 2 349.46 331.10 20.88 o
8 2 2 609.52 451.81 16.77 o
9 2 2 722.03 734.85 22.40 o
10 2 2 930.04 1007.34 38.49 o
11 2 2 316.20 298.36 16.45 o
12 2 2 901.61 905.28 24.28 o
13 2 2 344.61 356.24 15.28 o
14 2 2 334.25 378.79 16.18 o
15 2 2 49.12 60.49 6.94 o
16 2 2 140.43 161.66 10.94 o
17 2 2 0.06 3.74 2.73 <
18 2 2 4.51 10.46 3.33 o
19 2 2 1.65 4.25 2.63 <
20 2 2 1.97 3.44 2.79 <
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-13 3 2 2649.83 2540.20 65.21 o
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-9 3 2 1.38 -5.04 5.22 <
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-6 3 2 1991.53 1790.24 34.16 o
-5 3 2 2402.51 2245.97 37.10 o
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-1 3 2 577.10 497.90 11.99 o
0 3 2 468.19 383.82 10.53 o
1 3 2 1.54 2.69 1.33 <
2 3 2 473.75 455.48 11.66 o
3 3 2 1293.92 1229.36 27.71 o
4 3 2 201.65 175.82 9.85 o
5 3 2 158.63 150.12 8.48 o
6 3 2 588.83 587.43 28.09 o
7 3 2 698.31 670.08 23.34 o
8 3 2 227.04 199.79 12.67 o
9 3 2 1.32 3.14 1.84 <
10 3 2 578.07 515.40 18.20 o
11 3 2 17.02 13.62 2.89 o
12 3 2 494.33 550.42 18.91 o
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14 3 2 394.67 475.71 17.54 o
15 3 2 550.22 595.53 19.08 o
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-16 4 2 4.06 -1.36 3.01 <
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-14 4 2 5.81 -3.71 4.35 <
-13 4 2 48.12 35.15 5.20 o
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-6 4 2 172.95 195.74 21.17 o
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-3 4 2 798.57 825.47 22.49 o
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0 4 2 2364.47 2495.25 39.89 o
1 4 2 1.52 2.45 2.53 <
2 4 2 3713.15 3932.62 42.86 o
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