#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:41:11 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181871 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/01/2020107.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_2020107
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   14.1011
_cell_length_b                   14.1011
_cell_length_c                   10.0850
_exptl_crystal_F_000             1002.00
_reflns_d_resolution_high        0.8345
_cod_data_source_file            eg31881sup2.hkl
_cod_data_source_block           1
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' Rb_Sb in R-3'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            354.52
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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 2 0 68315.23 67228.76 171.65 o
0 3 0 15661.37 16077.95 132.59 o
-2 4 0 28255.84 28895.59 171.99 o
-4 5 0 29469.43 30382.42 166.25 o
-1 5 0 13818.66 14168.52 1196.02 o
-3 6 0 48782.96 49862.05 873.49 o
0 6 0 14511.55 15264.77 1094.08 o
-5 7 0 48093.14 48419.84 242.99 o
-2 7 0 16217.44 15662.86 1298.24 o
-7 8 0 9660.21 9544.26 652.82 o
-4 8 0 92228.08 97025.73 1103.86 o
-1 8 0 16711.11 17792.46 1642.41 o
-6 9 0 24526.35 23266.20 1909.29 o
-3 9 0 49058.07 49067.36 287.16 o
0 9 0 3426.31 3425.61 244.73 o
-8 10 0 9483.64 9261.65 454.08 o
-5 10 0 25793.22 26199.68 1388.28 o
-2 10 0 11138.83 11145.76 717.93 o
-10 11 0 6355.20 6406.35 358.65 o
-7 11 0 15851.46 15401.25 1017.23 o
-4 11 0 10180.72 10350.39 772.81 o
-1 11 0 10989.51 10836.55 652.63 o
-9 12 0 12627.27 12631.77 724.66 o
-6 12 0 3370.73 3270.28 183.16 o
-3 12 0 3112.94 3120.75 318.73 o
0 12 0 19053.30 18149.08 1478.98 o
-11 13 0 5659.67 5362.56 231.11 o
-8 13 0 2118.59 2106.82 91.10 o
-5 13 0 5039.18 4980.66 253.90 o
-2 13 0 9129.16 9294.86 906.69 o
-13 14 0 9690.18 9635.37 1087.91 o
-10 14 0 1433.52 1415.30 89.53 o
-7 14 0 5641.19 5465.13 210.79 o
-4 14 0 1852.59 1939.74 145.69 o
-1 14 0 10230.13 9784.31 816.14 o
-12 15 0 4394.93 4233.18 137.91 o
-9 15 0 5430.15 5490.94 149.21 o
-6 15 0 6742.77 6513.56 274.25 o
-3 15 0 4315.53 3921.35 264.97 o
-11 16 0 3955.33 3665.56 291.33 o
-8 16 0 9771.85 10205.12 513.48 o
-5 16 0 2928.75 2693.52 205.74 o
-1 1 1 4079.80 4882.48 207.05 o
-3 2 1 23358.17 24931.19 1262.85 o
0 2 1 21626.30 21774.75 1077.55 o
-5 3 1 170.08 155.80 29.51 o
-2 3 1 23666.87 25013.14 1693.33 o
1 3 1 19850.12 21513.11 1610.40 o
-7 4 1 16720.60 17271.42 815.07 o
-4 4 1 1921.09 2085.54 115.36 o
-1 4 1 22479.25 23403.87 1961.99 o
2 4 1 2236.43 2873.27 197.54 o
-9 5 1 4440.54 4789.06 224.36 o
-6 5 1 26109.84 29616.20 1573.76 o
-3 5 1 297.95 301.59 30.16 o
0 5 1 15570.36 16513.17 1262.08 o
3 5 1 9691.40 9418.84 430.42 o
-11 6 1 3541.58 3643.91 163.66 o
-8 6 1 954.37 984.39 67.69 o
-5 6 1 416.15 359.26 36.58 o
-2 6 1 1412.91 1568.77 139.33 o
1 6 1 593.37 540.60 64.34 o
4 6 1 4682.48 4851.54 207.75 o
-13 7 1 168.35 152.84 50.53 o
-10 7 1 13.37 30.57 41.97 o
-7 7 1 3717.60 3743.38 228.89 o
-4 7 1 9470.52 9250.13 657.95 o
-1 7 1 2445.60 2515.59 162.41 o
2 7 1 6510.51 6299.50 285.78 o
5 7 1 540.34 596.21 78.02 o
-15 8 1 446.11 469.33 63.43 o
-12 8 1 1410.10 1434.00 96.38 o
-9 8 1 5980.53 6492.76 501.19 o
-6 8 1 2300.66 2319.64 149.59 o
-3 8 1 8201.46 8309.72 803.24 o
0 8 1 3909.17 3835.06 182.63 o
3 8 1 7468.38 7054.30 445.83 o
6 8 1 111.12 76.52 55.03 o
-14 9 1 873.59 941.25 107.16 o
-11 9 1 210.29 259.53 66.00 o
-8 9 1 635.31 503.89 55.78 o
-5 9 1 12018.63 12413.65 818.71 o
-2 9 1 938.55 824.28 126.28 o
1 9 1 3132.77 3146.53 197.42 o
4 9 1 1547.34 1488.57 115.31 o
7 9 1 502.72 545.29 77.25 o
-16 10 1 86.84 75.55 77.15 o
-13 10 1 2652.22 2393.34 217.37 o
-10 10 1 39.37 123.52 43.24 o
-7 10 1 374.32 455.67 48.04 o
-4 10 1 1201.53 1323.14 156.35 o
-1 10 1 768.70 775.11 57.14 o
2 10 1 196.81 169.65 100.60 o
5 10 1 62.44 16.35 64.08 o
-15 11 1 4.35 -6.35 61.49 o
-12 11 1 1231.86 1202.48 76.78 o
-9 11 1 158.79 178.86 51.07 o
-6 11 1 3435.21 3690.68 190.30 o
-3 11 1 732.38 719.04 56.48 o
0 11 1 2493.60 2458.80 254.58 o
3 11 1 472.87 617.71 161.32 o
-14 12 1 306.52 389.52 65.02 o
-11 12 1 3682.50 3472.86 218.46 o
-8 12 1 46.15 21.50 53.04 o
-5 12 1 1199.65 1190.73 183.44 o
-2 12 1 149.59 161.80 52.45 o
1 12 1 1666.75 1619.89 170.32 o
4 12 1 77.84 69.92 74.34 o
-13 13 1 814.39 680.48 85.13 o
-10 13 1 2544.71 2574.01 182.57 o
-7 13 1 1420.78 1452.93 68.66 o
-4 13 1 329.00 378.24 58.77 o
-1 13 1 603.02 560.57 77.05 o
2 13 1 337.38 294.95 99.25 o
-15 14 1 175.02 164.75 86.40 o
-12 14 1 400.05 370.72 72.05 o
-9 14 1 2642.17 2624.04 163.37 o
-6 14 1 611.50 704.97 75.05 o
-3 14 1 358.77 383.63 80.76 o
0 14 1 633.62 571.01 114.12 o
-14 15 1 408.24 380.94 111.31 o
-11 15 1 8.89 47.15 81.80 o
-8 15 1 785.07 764.10 69.83 o
-5 15 1 6.41 -61.84 72.64 o
-2 15 1 263.67 241.91 81.97 o
-10 16 1 14.95 114.12 74.74 o
-7 16 1 600.64 655.03 109.31 o
-4 16 1 224.21 204.94 79.56 o
0 1 2 83457.88 78912.71 344.41 o
-2 2 2 23704.96 25547.62 1347.16 o
1 2 2 3347.66 3555.37 323.00 o
-4 3 2 125683.60 121626.42 1003.70 o
-1 3 2 7173.97 6937.77 471.38 o
2 3 2 38536.69 38424.80 196.21 o
-6 4 2 17759.21 18601.06 837.70 o
-3 4 2 113707.60 106558.51 253.01 o
0 4 2 1459.83 1622.13 93.27 o
3 4 2 27287.16 28479.94 1755.41 o
-8 5 2 14011.51 14799.97 553.76 o
-5 5 2 99084.07 97480.74 325.24 o
-2 5 2 16619.88 16503.82 1478.97 o
1 5 2 10876.21 11424.61 739.99 o
4 5 2 9407.28 9524.60 409.77 o
-10 6 2 14887.46 15687.68 589.82 o
-7 6 2 6133.90 6375.32 333.81 o
-4 6 2 56999.18 57069.36 225.48 o
-1 6 2 5435.72 5217.95 278.72 o
2 6 2 16706.97 16686.99 948.34 o
5 6 2 2257.96 2504.38 210.67 o
-12 7 2 15033.07 15286.00 420.76 o
-9 7 2 13337.05 14266.26 710.12 o
-6 7 2 26840.06 28257.46 1898.87 o
-3 7 2 14678.59 14768.84 1553.86 o
0 7 2 34370.34 34108.72 2255.13 o
3 7 2 11540.83 11856.60 634.96 o
6 7 2 2633.83 2563.75 100.75 o
-14 8 2 11164.94 11153.48 341.22 o
-11 8 2 15251.62 14884.00 712.04 o
-8 8 2 1922.61 2029.84 182.55 o
-5 8 2 9600.67 10411.14 757.50 o
-2 8 2 23770.21 23543.50 2077.31 o
1 8 2 25765.59 25564.63 1784.63 o
4 8 2 5828.34 6063.13 389.70 o
7 8 2 4206.03 4351.57 138.64 o
-16 9 2 3313.15 3051.15 168.77 o
-13 9 2 15407.51 15215.49 923.16 o
-10 9 2 3580.40 3623.36 103.02 o
-7 9 2 2027.36 2199.32 201.16 o
-4 9 2 12189.71 12621.25 1268.62 o
-1 9 2 37350.96 36827.44 2168.99 o
2 9 2 10746.66 10597.31 729.88 o
5 9 2 524.78 477.22 70.87 o
-15 10 2 3530.22 3585.66 168.13 o
-12 10 2 9994.69 10307.79 537.75 o
-9 10 2 2271.17 2331.97 219.05 o
-6 10 2 8809.89 9192.63 534.76 o
-3 10 2 13026.37 12818.88 951.34 o
0 10 2 14338.96 13418.35 935.44 o
3 10 2 1055.71 1184.94 76.34 o
6 10 2 4882.19 4414.59 335.94 o
-14 11 2 3941.21 4038.95 209.15 o
-11 11 2 4908.59 4985.54 460.58 o
-8 11 2 34444.15 33150.95 719.20 o
-5 11 2 4436.57 4490.12 337.47 o
-2 11 2 9426.61 8928.12 640.00 o
1 11 2 2649.60 2690.53 195.83 o
4 11 2 4514.58 4366.02 238.86 o
-16 12 2 640.93 591.91 81.97 o
-13 12 2 5055.32 4879.41 171.88 o
-10 12 2 9523.14 9558.68 743.18 o
-7 12 2 14515.63 14690.03 813.04 o
-4 12 2 1336.84 1267.56 115.42 o
-1 12 2 6590.13 6770.83 472.02 o
2 12 2 3740.63 3575.90 130.87 o
-15 13 2 1584.77 1491.62 166.36 o
-12 13 2 4005.38 4363.23 256.18 o
-9 13 2 15972.80 15519.18 1059.04 o
-6 13 2 4633.05 4427.11 323.53 o
-3 13 2 126.52 131.03 56.47 o
0 13 2 4405.46 4452.06 286.91 o
-14 14 2 2683.51 2493.00 189.27 o
-11 14 2 2976.75 3030.20 248.16 o
-8 14 2 5686.33 5765.93 269.13 o
-5 14 2 1908.94 1876.99 193.69 o
-2 14 2 5229.77 5244.66 422.11 o
-13 15 2 1767.39 1641.51 134.21 o
-10 15 2 3937.84 4362.49 245.25 o
-7 15 2 4710.06 5085.58 595.64 o
-4 15 2 5256.27 5485.03 372.88 o
-12 16 2 1436.49 1344.95 133.01 o
-9 16 2 3191.37 2974.00 170.38 o
-6 16 2 4314.59 3943.23 315.84 o
1 1 3 4090.12 3731.31 394.98 o
-1 2 3 850.76 839.73 33.52 o
2 2 3 5706.11 5802.98 483.79 o
-3 3 3 34088.66 36276.82 2157.94 o
0 3 3 6288.59 6458.75 494.88 o
3 3 3 175.37 224.45 32.27 o
-5 4 3 38183.64 40305.27 2117.26 o
-2 4 3 14506.51 14159.40 1487.52 o
1 4 3 748.19 732.85 95.69 o
4 4 3 3791.93 4131.60 321.20 o
-7 5 3 16040.04 17458.60 898.73 o
-4 5 3 14112.03 14326.60 674.86 o
-1 5 3 2639.63 2732.60 214.36 o
2 5 3 131.06 114.51 35.61 o
5 5 3 174.95 196.98 46.55 o
-9 6 3 1917.39 2218.70 76.79 o
-6 6 3 7476.94 8171.90 464.22 o
-3 6 3 2208.39 2158.13 144.76 o
0 6 3 6842.35 6664.48 351.77 o
3 6 3 711.43 798.59 51.85 o
6 6 3 4295.69 3856.77 118.88 o
-11 7 3 5260.67 5460.41 235.31 o
-8 7 3 63.43 65.70 57.73 o
-5 7 3 253.11 243.16 32.15 o
-2 7 3 499.84 483.48 43.95 o
1 7 3 16134.80 16275.15 671.50 o
4 7 3 0.36 133.92 44.34 o
7 7 3 906.23 804.38 80.60 o
-13 8 3 4404.01 4653.79 203.81 o
-10 8 3 1760.20 1811.99 127.08 o
-7 8 3 801.94 894.74 105.26 o
-4 8 3 939.10 1001.36 118.68 o
-1 8 3 11213.54 10750.47 632.52 o
2 8 3 2473.76 2307.88 229.14 o
5 8 3 1125.78 1123.12 78.12 o
8 8 3 74.41 70.32 71.93 o
-15 9 3 507.69 556.54 69.54 o
-12 9 3 5657.00 5665.93 205.44 o
-9 9 3 3143.79 3296.02 222.23 o
-6 9 3 715.31 698.94 54.01 o
-3 9 3 5.05 -12.10 38.80 o
0 9 3 13294.85 12945.28 689.63 o
3 9 3 24.75 36.47 55.29 o
6 9 3 300.56 347.26 80.96 o
-14 10 3 2064.00 2100.23 138.15 o
-11 10 3 1504.65 1494.11 82.52 o
-8 10 3 2441.40 2465.52 218.28 o
-5 10 3 48.40 75.42 41.99 o
-2 10 3 1974.05 1901.70 152.35 o
1 10 3 2811.51 2725.38 137.93 o
4 10 3 2214.29 2190.17 108.58 o
-13 11 3 221.63 201.87 70.03 o
-10 11 3 1809.41 1758.41 101.35 o
-7 11 3 1660.87 1639.25 85.78 o
-4 11 3 41.63 94.97 94.68 o
-1 11 3 473.24 409.56 60.29 o
2 11 3 555.78 531.47 69.20 o
-15 12 3 122.85 110.91 73.54 o
-12 12 3 102.82 110.09 61.70 o
-9 12 3 1822.53 1889.40 233.27 o
-6 12 3 3309.99 3375.87 326.09 o
-3 12 3 1914.57 1850.85 86.97 o
0 12 3 241.70 135.25 65.74 o
3 12 3 921.89 852.70 86.40 o
-14 13 3 101.64 97.65 70.72 o
-11 13 3 1145.00 1128.98 123.75 o
-8 13 3 7517.79 7445.45 432.86 o
-5 13 3 407.14 364.78 61.21 o
-2 13 3 216.46 121.89 62.95 o
1 13 3 0.63 2.81 65.50 o
-13 14 3 206.83 195.29 106.09 o
-10 14 3 3280.89 3158.41 156.57 o
-7 14 3 1059.46 1111.88 77.55 o
-4 14 3 2530.55 2487.23 163.61 o
-1 14 3 87.33 79.97 74.74 o
-12 15 3 4.20 8.44 79.56 o
-9 15 3 590.64 579.60 74.12 o
-6 15 3 15.53 -76.13 76.20 o
-3 15 3 391.63 364.87 100.06 o
-8 16 3 9.16 17.28 65.90 o
-1 1 4 3016.86 3215.86 137.99 o
-3 2 4 11938.57 12019.93 1035.83 o
0 2 4 2879.16 2641.84 153.70 o
-5 3 4 25905.28 26703.22 2371.85 o
-2 3 4 11330.18 11163.11 285.94 o
1 3 4 41759.09 41638.84 226.42 o
-7 4 4 29.34 3.33 36.13 o
-4 4 4 34695.62 37412.43 1961.72 o
-1 4 4 31366.56 30133.40 1830.16 o
2 4 4 22653.78 22627.69 1750.84 o
-9 5 4 1073.88 1104.00 63.43 o
-6 5 4 656.77 654.12 44.45 o
-3 5 4 19905.35 20468.57 1640.03 o
0 5 4 35569.79 35276.18 1798.16 o
3 5 4 695.48 795.28 113.57 o
-11 6 4 1821.19 2016.89 202.48 o
-8 6 4 4501.05 4916.37 257.50 o
-5 6 4 23323.97 23804.06 954.80 o
-2 6 4 15067.47 14274.39 1179.31 o
1 6 4 9727.64 9540.02 512.31 o
4 6 4 723.93 789.28 66.09 o
-13 7 4 4844.33 5081.19 282.92 o
-10 7 4 9827.59 10182.88 335.59 o
-7 7 4 20844.96 22121.28 1788.89 o
-4 7 4 261.19 162.74 42.20 o
-1 7 4 14187.32 13458.63 526.39 o
2 7 4 3832.79 3911.41 104.36 o
5 7 4 7667.00 8072.25 206.73 o
-15 8 4 924.44 998.09 88.63 o
-12 8 4 5787.07 5837.81 231.60 o
-9 8 4 18694.31 19939.19 947.90 o
-6 8 4 3621.50 3813.58 247.78 o
-3 8 4 470.79 539.16 48.92 o
0 8 4 7936.31 7923.48 450.47 o
3 8 4 15874.80 15861.98 728.48 o
6 8 4 2955.19 3073.05 121.74 o
-14 9 4 2341.93 2396.51 137.97 o
-11 9 4 5937.27 6027.18 262.36 o
-8 9 4 10801.50 10892.48 707.67 o
-5 9 4 216.62 169.70 45.49 o
-2 9 4 6122.93 6301.89 331.53 o
1 9 4 4324.79 4243.27 114.53 o
4 9 4 7426.73 7632.12 361.81 o
-13 10 4 2836.14 3066.91 219.00 o
-10 10 4 4921.45 5034.30 256.50 o
-7 10 4 6952.69 6839.93 404.19 o
-4 10 4 2337.20 2590.85 211.26 o
-1 10 4 8481.68 8561.82 342.83 o
2 10 4 2347.88 2307.45 102.64 o
5 10 4 2727.93 2508.67 149.89 o
-15 11 4 1452.02 1350.58 142.65 o
-12 11 4 603.21 453.35 76.81 o
-9 11 4 10376.84 10199.61 880.42 o
-6 11 4 3573.10 3639.04 234.23 o
-3 11 4 9663.04 9402.45 441.88 o
0 11 4 692.47 611.14 70.70 o
3 11 4 1943.60 1890.40 105.40 o
-14 12 4 593.03 550.52 87.20 o
-11 12 4 248.92 378.96 75.20 o
-8 12 4 10637.56 10527.55 518.06 o
-5 12 4 9315.29 9307.07 553.29 o
-2 12 4 2206.33 2171.83 176.14 o
1 12 4 179.03 163.74 88.03 o
-13 13 4 311.14 412.49 71.44 o
-10 13 4 1435.89 1611.27 181.40 o
-7 13 4 2815.18 2969.88 155.07 o
-4 13 4 3568.03 3640.18 384.43 o
-1 13 4 741.67 699.91 78.87 o
-12 14 4 924.27 869.58 92.02 o
-9 14 4 1208.05 1376.93 129.63 o
-6 14 4 5989.57 5921.74 400.48 o
-3 14 4 1863.09 1865.74 132.88 o
-11 15 4 2070.51 1962.17 133.41 o
-8 15 4 519.26 493.52 80.76 o
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0 1 5 112.93 141.98 31.72 o
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1 2 5 23457.01 22890.80 2138.70 o
-4 3 5 258.03 201.73 32.48 o
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2 3 5 5506.79 5616.92 516.47 o
-6 4 5 7749.33 7991.75 634.11 o
-3 4 5 1135.61 1117.50 63.86 o
0 4 5 44784.52 42984.86 2148.81 o
3 4 5 346.83 356.63 47.32 o
-8 5 5 1267.85 1355.78 85.25 o
-5 5 5 158.70 47.35 59.03 o
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1 5 5 14824.99 14846.96 1013.00 o
4 5 5 949.79 921.74 67.49 o
-10 6 5 1240.53 1192.25 72.23 o
-7 6 5 11879.05 12692.36 449.06 o
-4 6 5 399.11 426.08 55.09 o
-1 6 5 10647.21 10466.77 624.95 o
2 6 5 2480.25 2396.75 232.29 o
5 6 5 6860.23 7133.88 453.29 o
-12 7 5 1814.71 1867.86 93.39 o
-9 7 5 3481.31 3455.17 178.00 o
-6 7 5 1645.56 1534.29 63.56 o
-3 7 5 1562.86 1730.41 242.07 o
0 7 5 4223.65 3844.51 195.52 o
3 7 5 2540.23 2604.02 95.30 o
6 7 5 3713.17 3881.42 252.14 o
-14 8 5 180.31 259.65 69.72 o
-11 8 5 2314.45 2393.18 102.89 o
-8 8 5 15186.47 15741.77 967.07 o
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-2 8 5 1378.92 1297.88 86.74 o
1 8 5 1281.62 1159.76 115.92 o
4 8 5 4517.91 4709.66 136.65 o
7 8 5 297.96 296.56 114.93 o
-13 9 5 4.95 -28.88 65.27 o
-10 9 5 8393.10 8619.66 210.87 o
-7 9 5 10430.81 10496.12 536.21 o
-4 9 5 1624.96 1545.29 124.13 o
-1 9 5 498.26 464.36 148.76 o
2 9 5 2025.31 2050.23 133.09 o
5 9 5 4717.08 4806.99 206.43 o
-15 10 5 1043.95 900.92 91.62 o
-12 10 5 358.17 431.00 73.74 o
-9 10 5 8379.03 8177.73 557.38 o
-6 10 5 2478.44 2376.68 224.71 o
-3 10 5 2330.38 2399.48 169.89 o
0 10 5 274.09 446.16 67.58 o
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-14 11 5 631.07 589.50 113.72 o
-11 11 5 1281.17 1241.03 108.39 o
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