#------------------------------------------------------------------------------
#$Date: 2017-07-25 12:44:45 +0300 (Tue, 25 Jul 2017) $
#$Revision: 199177 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/22/2242211.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_2242211
_cell_angle_alpha                90
_cell_angle_beta                 104.321(5)
_cell_angle_gamma                90
_cell_length_a                   14.807(3)
_cell_length_b                   5.8216(12)
_cell_length_c                   4.0217(9)
_exptl_crystal_F_000             272
_reflns_d_resolution_high        0.6530
_cod_data_source_file            pk2601HT_RbHCO3sup2.hkl
_cod_data_source_block           HT_RbHCO3
_shelx_title                     '   '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            140.21
_shelx_f_squared_multiplier      1.000
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'-x, -y, -z'
'x, -y, z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'
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 1656.24 1691.28 41.17 o
4 0 0 10963.60 10113.10 280.75 o
6 0 0 5001.47 4907.93 134.56 o
8 0 0 2281.79 2306.09 93.21 o
10 0 0 1235.91 1092.03 36.54 o
12 0 0 2931.23 2761.00 95.72 o
14 0 0 0.11 -23.85 22.22 <
16 0 0 302.54 272.39 35.68 o
18 0 0 166.24 165.35 36.06 o
20 0 0 5.92 -6.71 37.76 <
1 1 0 574.64 562.13 9.11 o
3 1 0 8064.04 7760.21 175.10 o
5 1 0 1499.56 1375.70 27.89 o
7 1 0 5357.25 5349.41 103.70 o
9 1 0 4463.80 4258.19 98.86 o
11 1 0 9.34 11.37 6.85 <
13 1 0 1797.19 1761.50 52.24 o
15 1 0 1006.51 977.07 44.03 o
17 1 0 26.96 -9.98 21.03 <
19 1 0 368.79 358.76 31.88 o
21 1 0 67.97 67.95 36.20 <
0 2 0 13301.10 12117.10 281.29 o
2 2 0 6743.69 6883.60 110.06 o
4 2 0 4069.42 3925.03 89.30 o
6 2 0 12800.50 12230.80 276.92 o
8 2 0 90.12 84.91 6.13 o
10 2 0 1265.90 1196.42 31.77 o
12 2 0 892.73 872.18 29.57 o
14 2 0 205.86 197.02 17.17 o
16 2 0 322.44 317.99 21.81 o
18 2 0 331.75 415.00 37.66 o
20 2 0 16.25 62.94 32.29 <
1 3 0 4016.34 4055.58 70.00 o
3 3 0 4114.95 4196.77 75.86 o
5 3 0 42.09 39.21 4.84 o
7 3 0 933.69 873.00 19.44 o
9 3 0 3836.25 3790.01 87.71 o
11 3 0 61.52 72.44 10.22 o
13 3 0 2219.89 2228.33 61.60 o
15 3 0 475.10 573.72 32.66 o
17 3 0 46.57 66.59 21.13 o
19 3 0 135.84 197.56 33.33 o
0 4 0 9153.91 8876.25 219.17 o
2 4 0 1387.36 1385.26 27.91 o
4 4 0 2435.47 2528.88 46.94 o
6 4 0 3806.09 3949.02 76.29 o
8 4 0 275.84 287.56 12.76 o
10 4 0 752.40 825.90 23.12 o
12 4 0 904.30 972.94 29.34 o
14 4 0 26.81 51.59 13.85 o
16 4 0 178.03 192.27 24.75 o
18 4 0 154.72 281.30 45.97 o
1 5 0 113.14 109.70 8.23 o
3 5 0 2529.89 2509.82 56.30 o
5 5 0 755.69 752.39 22.94 o
7 5 0 1984.32 2031.70 46.87 o
9 5 0 1339.75 1412.46 35.74 o
11 5 0 8.11 13.61 10.92 <
13 5 0 444.68 487.76 30.13 o
15 5 0 460.41 424.00 28.25 o
17 5 0 6.84 35.38 22.56 <
0 6 0 4049.70 3919.41 113.49 o
2 6 0 358.35 393.76 18.61 o
4 6 0 1109.97 1125.42 31.56 o
6 6 0 1186.72 1243.72 33.73 o
8 6 0 153.00 158.47 13.91 o
10 6 0 312.98 367.46 18.88 o
12 6 0 519.73 574.82 29.87 o
14 6 0 2.38 36.40 18.27 <
16 6 0 88.71 83.18 26.48 o
1 7 0 398.73 369.96 20.39 o
3 7 0 852.31 833.15 29.83 o
5 7 0 66.53 68.67 13.95 o
7 7 0 243.83 281.02 18.05 o
9 7 0 735.36 787.21 31.70 o
11 7 0 9.24 26.60 17.05 <
13 7 0 399.10 400.57 26.97 o
0 8 0 617.57 653.79 48.22 o
2 8 0 279.14 303.58 22.10 o
4 8 0 247.88 281.71 22.10 o
6 8 0 823.21 904.33 38.60 o
8 8 0 1.15 9.54 16.68 <
-22 0 1 12.26 27.06 37.08 <
-20 0 1 118.07 118.56 36.90 o
-18 0 1 397.58 428.91 47.79 o
-16 0 1 32.63 56.53 31.46 <
-14 0 1 755.28 937.58 74.40 o
-12 0 1 816.44 582.84 48.36 o
-10 0 1 67.51 26.46 15.46 <
-6 0 1 838.25 860.43 47.80 o
-4 0 1 17993.30 17997.80 965.83 o
-2 0 1 3331.14 3307.61 103.69 o
0 0 1 85.27 86.39 4.32 o
2 0 1 3755.80 3806.42 119.08 o
4 0 1 19318.60 19659.00 525.21 o
6 0 1 8.23 29.12 7.44 o
8 0 1 6771.78 6891.10 218.75 o
10 0 1 2063.82 1936.52 71.68 o
12 0 1 33.88 18.38 17.02 <
14 0 1 1116.83 1078.30 74.66 o
16 0 1 742.14 727.34 63.35 o
18 0 1 80.32 46.90 45.61 <
20 0 1 113.11 79.88 49.93 <
-21 1 1 108.96 119.65 26.53 o
-19 1 1 40.02 59.57 22.20 <
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-15 1 1 604.10 535.53 35.09 o
-13 1 1 427.74 477.02 27.46 o
-11 1 1 3950.73 3828.43 108.53 o
-9 1 1 1482.02 1504.24 44.46 o
-7 1 1 714.89 578.73 28.04 o
-5 1 1 9795.78 10121.50 269.82 o
-3 1 1 9414.97 9597.17 192.79 o
-1 1 1 4754.03 4929.94 81.49 o
1 1 1 15993.70 15905.40 286.45 o
3 1 1 161.17 173.35 4.86 o
5 1 1 3350.33 3271.77 74.99 o
7 1 1 2639.99 2640.77 56.94 o
9 1 1 10.28 7.28 7.22 <
11 1 1 1769.76 1725.92 42.48 o
13 1 1 433.95 486.28 34.04 o
15 1 1 101.01 75.77 24.30 o
17 1 1 329.00 354.11 35.05 o
19 1 1 110.76 149.85 41.34 o
-20 2 1 71.84 131.49 30.25 o
-18 2 1 179.52 168.96 25.26 o
-16 2 1 36.59 41.05 14.99 <
-14 2 1 1121.40 1124.74 40.89 o
-12 2 1 1212.88 1204.02 39.96 o
-10 2 1 1274.94 1260.88 46.37 o
-8 2 1 3312.23 3126.45 73.29 o
-6 2 1 285.73 270.08 13.65 o
-4 2 1 2532.25 2505.45 57.44 o
-2 2 1 13280.20 13565.90 272.60 o
0 2 1 12.73 14.87 2.82 o
2 2 1 10236.90 10694.40 197.82 o
4 2 1 4132.51 4051.61 79.71 o
6 2 1 319.69 312.03 10.17 o
8 2 1 2792.57 2815.50 56.64 o
10 2 1 4513.92 4519.03 96.35 o
12 2 1 38.29 48.47 12.68 o
14 2 1 1306.32 1314.14 56.32 o
16 2 1 203.75 228.89 34.29 o
18 2 1 5.14 -1.94 34.12 <
20 2 1 86.58 49.65 36.50 <
-21 3 1 130.64 103.23 43.48 <
-19 3 1 21.95 -3.35 20.97 <
-17 3 1 812.70 761.75 44.28 o
-15 3 1 181.39 173.23 17.18 o
-13 3 1 252.27 244.99 21.45 o
-11 3 1 1578.96 1529.38 39.23 o
-9 3 1 2391.86 2285.66 47.93 o
-7 3 1 899.48 851.69 20.41 o
-5 3 1 8894.88 8591.78 180.59 o
-3 3 1 747.61 714.99 17.58 o
-1 3 1 965.29 935.64 22.72 o
1 3 1 6212.56 6478.98 114.13 o
3 3 1 1721.49 1821.89 34.25 o
5 3 1 4664.27 4706.72 92.07 o
7 3 1 2176.97 2196.38 45.84 o
9 3 1 355.01 397.02 15.87 o
11 3 1 551.09 621.48 28.82 o
13 3 1 360.85 444.83 24.80 o
15 3 1 4.08 2.35 27.26 <
17 3 1 462.25 527.91 45.17 o
19 3 1 57.21 62.60 37.16 <
-20 4 1 50.80 30.37 33.76 <
-18 4 1 163.02 140.15 24.27 o
-16 4 1 0.79 -11.57 18.16 <
-14 4 1 577.42 558.14 26.53 o
-12 4 1 563.41 551.91 22.23 o
-10 4 1 284.45 280.66 14.11 o
-8 4 1 2804.98 2790.96 60.97 o
-6 4 1 355.22 350.18 15.82 o
-4 4 1 2601.66 2478.07 60.17 o
-2 4 1 3774.33 3679.12 79.27 o
0 4 1 63.73 64.88 6.59 o
2 4 1 2706.89 2766.99 52.10 o
4 4 1 3962.12 3885.08 74.17 o
6 4 1 57.43 63.90 7.90 o
8 4 1 2099.76 2199.61 42.85 o
10 4 1 1682.71 1762.92 46.19 o
12 4 1 0.88 4.81 15.13 <
14 4 1 715.58 790.74 41.51 o
16 4 1 231.91 298.22 35.82 o
18 4 1 20.92 33.27 34.59 <
-17 5 1 213.01 191.21 26.66 o
-15 5 1 302.27 299.97 26.69 o
-13 5 1 148.17 160.06 15.88 o
-11 5 1 1532.35 1554.88 42.66 o
-9 5 1 227.42 255.51 14.89 o
-7 5 1 204.15 200.07 13.13 o
-5 5 1 2049.99 1960.76 46.75 o
-3 5 1 2178.56 2099.69 45.73 o
-1 5 1 1689.07 1647.04 37.11 o
1 5 1 4074.48 4097.17 81.80 o
3 5 1 7.98 17.16 7.59 <
5 5 1 857.73 925.06 24.19 o
7 5 1 954.31 1058.23 26.97 o
9 5 1 11.09 -1.00 10.26 <
11 5 1 906.54 976.57 30.78 o
13 5 1 165.02 172.84 23.16 o
15 5 1 64.55 57.99 29.73 <
-16 6 1 2.84 2.35 23.87 <
-14 6 1 223.05 227.89 21.21 o
-12 6 1 254.32 286.58 17.65 o
-10 6 1 70.99 90.34 13.14 o
-8 6 1 1502.93 1543.65 40.24 o
-6 6 1 184.80 224.42 14.26 o
-4 6 1 1298.12 1256.55 34.76 o
-2 6 1 1196.80 1162.95 30.14 o
0 6 1 55.39 72.46 11.42 o
2 6 1 788.48 854.12 27.27 o
4 6 1 1966.59 2052.92 49.17 o
6 6 1 16.03 29.79 12.34 <
8 6 1 1030.10 1121.37 34.25 o
10 6 1 568.44 650.67 28.67 o
12 6 1 0.67 16.58 16.13 <
14 6 1 294.92 330.09 26.57 o
-13 7 1 58.17 68.27 18.41 o
-11 7 1 310.11 347.67 21.17 o
-9 7 1 308.56 339.39 19.49 o
-7 7 1 135.39 138.41 15.65 o
-5 7 1 1221.31 1225.26 36.59 o
-3 7 1 198.00 190.64 17.38 o
-1 7 1 332.99 349.44 18.98 o
1 7 1 1144.49 1108.58 34.69 o
3 7 1 125.68 122.49 15.44 o
5 7 1 780.38 841.01 31.82 o
7 7 1 432.70 413.34 22.59 o
9 7 1 40.42 46.00 18.20 <
11 7 1 144.84 158.03 20.96 o
-8 8 1 295.60 296.60 22.65 o
-6 8 1 48.11 65.04 18.87 o
-4 8 1 142.73 176.43 20.77 o
-2 8 1 830.93 886.95 38.09 o
0 8 1 11.62 36.78 17.69 <
2 8 1 539.64 542.35 29.37 o
4 8 1 252.26 227.09 19.56 o
6 8 1 31.65 43.30 17.41 <
8 8 1 188.33 275.59 49.41 o
-22 0 2 152.38 248.73 41.76 o
-20 0 2 122.29 107.42 47.72 <
-18 0 2 23.82 44.10 38.08 <
-16 0 2 992.34 1157.05 92.28 o
-10 0 2 1947.43 2140.34 117.94 o
-8 0 2 102.55 106.12 9.99 o
-6 0 2 169.75 181.68 9.86 o
-4 0 2 7213.22 7488.71 403.72 o
-2 0 2 712.00 738.90 25.05 o
0 0 2 11116.60 11561.90 438.24 o
2 0 2 2515.15 2552.69 81.95 o
4 0 2 665.87 791.54 28.66 o
6 0 2 3102.86 3078.26 100.49 o
8 0 2 2444.19 2470.25 83.46 o
10 0 2 562.01 568.34 32.42 o
12 0 2 2098.50 2111.99 103.04 o
14 0 2 80.96 56.02 37.59 <
16 0 2 47.03 -5.81 43.68 <
18 0 2 191.31 75.37 77.42 <
-21 1 2 11.56 34.08 27.01 <
-19 1 2 182.53 201.83 34.43 o
-17 1 2 92.51 102.53 26.67 o
-15 1 2 204.60 225.88 39.46 o
-11 1 2 608.75 593.12 24.76 o
-9 1 2 2447.24 2430.44 60.69 o
-7 1 2 8614.42 8385.64 204.93 o
-5 1 2 28.26 31.87 4.92 o
-3 1 2 7240.18 7526.95 179.04 o
-1 1 2 6616.00 7016.86 150.41 o
1 1 2 276.24 326.55 10.39 o
3 1 2 4469.40 4620.63 101.82 o
5 1 2 4327.46 4496.23 91.65 o
7 1 2 12.88 21.11 6.35 o
9 1 2 1585.42 1644.24 38.21 o
11 1 2 797.88 786.87 30.18 o
13 1 2 44.61 7.26 23.30 <
15 1 2 580.17 475.02 47.63 o
17 1 2 31.57 -26.20 40.27 <
-20 2 2 215.12 193.55 29.72 o
-18 2 2 101.16 99.88 23.17 o
-16 2 2 827.41 845.00 53.33 o
-14 2 2 169.73 163.74 21.42 o
-12 2 2 210.13 228.35 16.95 o
-10 2 2 2107.58 2015.08 52.78 o
-8 2 2 810.69 838.28 26.37 o
-6 2 2 2483.09 2534.05 62.58 o
-4 2 2 2840.14 2840.35 70.55 o
-2 2 2 22.54 28.84 4.06 o
0 2 2 2265.67 2368.00 45.59 o
2 2 2 5759.73 5882.30 120.03 o
4 2 2 250.27 280.22 11.13 o
6 2 2 6075.67 6058.87 126.38 o
8 2 2 574.96 592.38 19.73 o
10 2 2 402.16 355.79 17.48 o
12 2 2 893.79 785.77 42.81 o
14 2 2 392.90 360.76 42.15 o
16 2 2 88.27 30.67 38.75 <
18 2 2 284.27 307.26 48.77 o
-21 3 2 20.85 -14.63 31.61 <
-19 3 2 63.94 64.88 22.01 <
-17 3 2 121.36 119.65 17.60 o
-15 3 2 84.88 89.30 14.81 o
-13 3 2 1685.98 1723.53 62.95 o
-11 3 2 164.49 157.25 11.19 o
-9 3 2 1823.29 1676.91 39.87 o
-7 3 2 3068.33 3085.38 70.88 o
-5 3 2 617.93 604.92 20.47 o
-3 3 2 4554.43 4471.62 111.78 o
-1 3 2 6874.34 6869.75 132.76 o
1 3 2 167.17 202.69 8.94 o
3 3 2 2216.83 2293.10 43.41 o
5 3 2 1682.86 1664.76 36.60 o
7 3 2 180.19 187.22 12.36 o
9 3 2 1698.16 1641.59 46.15 o
11 3 2 820.98 809.16 38.73 o
13 3 2 212.11 205.38 36.63 o
15 3 2 252.35 245.85 41.34 o
17 3 2 16.69 -66.75 36.84 <
-20 4 2 96.55 60.27 25.10 <
-18 4 2 37.26 11.77 21.41 <
-16 4 2 502.22 546.29 38.12 o
-14 4 2 190.59 183.19 20.10 o
-12 4 2 309.60 324.40 19.00 o
-10 4 2 1155.09 1154.73 32.22 o
-8 4 2 191.84 171.70 11.81 o
-6 4 2 688.59 638.32 21.46 o
-4 4 2 2313.06 2269.87 51.92 o
-2 4 2 114.88 102.25 9.58 o
0 4 2 2595.76 2600.28 50.13 o
2 4 2 2239.11 2216.73 41.89 o
4 4 2 161.15 175.53 10.28 o
6 4 2 2383.03 2405.45 48.11 o
8 4 2 715.59 721.92 26.13 o
10 4 2 255.84 244.32 21.00 o
12 4 2 762.84 794.95 47.38 o
14 4 2 118.78 104.83 34.73 o
16 4 2 35.73 -2.75 36.06 <
-17 5 2 30.07 14.37 22.27 <
-15 5 2 90.52 77.91 21.22 o
-13 5 2 410.66 406.46 26.10 o
-11 5 2 331.59 340.82 18.17 o
-9 5 2 688.25 663.23 26.33 o
-7 5 2 3053.70 2835.54 71.97 o
-5 5 2 4.87 -5.37 11.44 <
-3 5 2 1906.73 1822.71 42.42 o
-1 5 2 1348.64 1306.93 32.84 o
1 5 2 165.85 156.35 12.24 o
3 5 2 1598.14 1629.22 35.87 o
5 5 2 1630.18 1598.03 36.36 o
7 5 2 75.19 72.02 13.37 o
9 5 2 506.53 495.94 22.81 o
11 5 2 264.15 270.60 20.46 o
13 5 2 3.14 -37.12 22.70 <
-16 6 2 253.23 238.51 29.04 o
-14 6 2 100.88 110.22 24.08 o
-12 6 2 212.21 204.68 18.70 o
-10 6 2 455.41 471.97 24.57 o
-8 6 2 54.80 45.10 14.52 o
-6 6 2 201.82 165.07 15.41 o
-4 6 2 1230.21 1137.51 35.21 o
-2 6 2 75.51 53.58 13.82 o
0 6 2 1416.66 1380.75 40.06 o
2 6 2 836.27 824.33 29.24 o
4 6 2 66.29 51.23 12.85 o
6 6 2 851.92 902.45 38.88 o
8 6 2 428.50 414.08 26.50 o
10 6 2 114.45 116.84 21.18 o
12 6 2 418.15 430.96 33.09 o
-13 7 2 323.46 340.84 26.36 o
-11 7 2 59.50 60.19 17.02 o
-9 7 2 325.81 298.72 19.68 o
-7 7 2 659.62 685.86 32.27 o
-5 7 2 54.22 83.79 18.31 o
-3 7 2 724.13 754.06 35.33 o
-1 7 2 946.79 977.89 35.59 o
1 7 2 12.10 14.85 15.95 <
3 7 2 458.52 496.04 26.03 o
5 7 2 348.20 385.76 25.75 o
7 7 2 13.71 32.47 19.16 <
9 7 2 345.04 336.11 25.41 o
-8 8 2 65.17 85.61 20.08 o
-6 8 2 245.37 241.98 23.46 o
-4 8 2 262.37 271.42 23.83 o
-2 8 2 4.82 31.27 19.90 <
0 8 2 182.22 174.57 22.39 o
2 8 2 556.21 567.78 28.72 o
4 8 2 10.43 22.81 20.52 <
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-14 0 3 232.07 257.75 33.82 o
-12 0 3 1603.12 1893.03 107.74 o
-10 0 3 636.24 699.70 46.46 o
-8 0 3 3087.48 3186.56 175.90 o
-6 0 3 3729.19 3819.31 210.22 o
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0 0 3 2258.36 2288.85 92.91 o
2 0 3 32.80 34.08 10.18 o
4 0 3 3413.68 3394.55 111.20 o
6 0 3 317.30 370.18 24.67 o
8 0 3 451.60 447.76 29.64 o
10 0 3 582.49 648.64 38.74 o
12 0 3 249.56 255.95 39.18 o
14 0 3 235.65 168.15 44.88 o
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-21 1 3 102.69 109.62 39.60 <
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-11 1 3 1201.56 1247.05 42.42 o
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-7 1 3 6.55 11.02 9.82 <
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-1 1 3 213.72 203.53 13.03 o
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3 1 3 2047.69 2111.87 55.12 o
5 1 3 312.05 348.27 16.42 o
7 1 3 2786.07 2812.63 67.28 o
9 1 3 599.34 623.49 25.97 o
11 1 3 334.18 340.40 25.21 o
13 1 3 432.40 386.08 43.57 o
15 1 3 34.39 -21.31 42.59 <
-20 2 3 51.35 60.84 36.06 <
-18 2 3 197.33 209.24 52.50 o
-16 2 3 126.58 71.16 39.52 <
-14 2 3 379.80 340.02 29.59 o
-12 2 3 1568.21 1641.09 48.91 o
-10 2 3 75.02 79.82 9.29 o
-8 2 3 1247.31 1242.88 38.62 o
-6 2 3 3102.53 3069.72 86.78 o
-4 2 3 59.38 62.18 8.09 o
-2 2 3 4125.42 4228.94 87.02 o
0 2 3 1310.83 1364.75 31.26 o
2 2 3 425.35 462.85 17.59 o
4 2 3 1034.87 1048.03 33.00 o
6 2 3 675.93 689.03 24.50 o
8 2 3 153.75 168.84 17.46 o
10 2 3 1281.66 1328.47 55.79 o
12 2 3 47.04 -4.17 29.15 <
14 2 3 247.98 64.66 44.98 <
-19 3 3 54.82 48.91 50.11 <
-17 3 3 168.15 151.02 29.77 o
-15 3 3 337.94 321.82 26.71 o
-13 3 3 13.29 23.41 11.28 <
-11 3 3 576.58 559.08 24.98 o
-9 3 3 1436.29 1459.42 41.36 o
-7 3 3 61.64 74.87 11.36 o
-5 3 3 2267.41 2169.32 57.87 o
-3 3 3 1124.63 1115.80 27.60 o
-1 3 3 1.65 2.49 6.61 <
1 3 3 3088.66 3102.60 62.52 o
3 3 3 2553.48 2531.75 56.94 o
5 3 3 665.26 669.13 23.50 o
7 3 3 1940.01 1898.66 51.37 o
9 3 3 162.96 148.77 24.92 o
11 3 3 66.93 4.41 27.64 <
13 3 3 388.22 242.92 64.64 o
-18 4 3 146.24 96.01 31.64 o
-16 4 3 39.60 26.72 19.79 <
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-10 4 3 140.80 121.95 12.66 o
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