#------------------------------------------------------------------------------
#$Date: 2019-06-15 07:10:02 +0300 (Sat, 15 Jun 2019) $
#$Revision: 215998 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/84/2108421.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_2108421
_cell_angle_alpha                90.000
_cell_angle_beta                 100.448
_cell_angle_gamma                90.000
_cell_length_a                   7.5817
_cell_length_b                   18.6250
_cell_length_c                   14.2346
_exptl_crystal_F_000             1140.00
_reflns_d_resolution_high        0.7828
_cod_data_source_file            aw50262sup3.hkl
_cod_data_source_block           2
_shelx_title                     ' DV86A5 in C2/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            563.94
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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 1653.67 1620.65 74.86 o
4 0 0 32795.64 33141.45 343.30 o
6 0 0 38873.84 38199.61 732.47 o
8 0 0 9829.38 9589.64 249.86 o
1 1 0 12985.28 13521.86 182.61 o
3 1 0 42400.17 40026.96 981.67 o
5 1 0 18.74 17.79 7.27 o
7 1 0 25549.31 24786.78 337.76 o
9 1 0 341.24 290.07 39.12 o
2 2 0 2700.13 2621.92 103.25 o
4 2 0 3122.93 2710.74 72.86 o
6 2 0 2256.49 2172.88 103.39 o
8 2 0 1.26 2.63 18.34 o
1 3 0 33651.41 33987.50 624.92 o
3 3 0 1019.14 936.12 28.75 o
5 3 0 3409.36 3342.52 77.73 o
7 3 0 9846.46 9739.33 196.42 o
9 3 0 136.41 196.80 38.48 o
0 4 0 75827.55 77553.82 412.70 o
2 4 0 5449.74 5096.54 84.39 o
4 4 0 40953.96 41266.34 315.91 o
6 4 0 9678.29 9925.49 207.00 o
8 4 0 6456.64 6071.82 224.46 o
1 5 0 24359.41 24653.27 432.95 o
3 5 0 113853.21 116492.85 597.30 o
5 5 0 3758.19 3488.23 193.70 o
7 5 0 12955.89 13034.28 412.17 o
9 5 0 3491.00 3419.62 192.86 o
0 6 0 19295.79 20038.36 171.43 o
2 6 0 17173.33 17674.63 228.82 o
4 6 0 25985.04 26199.89 289.16 o
6 6 0 786.56 732.62 41.43 o
8 6 0 40.04 18.52 29.45 o
1 7 0 1227.18 1334.20 31.81 o
3 7 0 2389.09 2509.45 61.55 o
5 7 0 8.94 -7.04 11.26 o
7 7 0 341.37 255.06 34.20 o
9 7 0 1.71 23.41 49.60 o
0 8 0 8538.58 8863.14 112.01 o
2 8 0 9008.98 8438.32 295.22 o
4 8 0 14269.36 13715.78 207.82 o
6 8 0 942.25 920.82 59.38 o
8 8 0 376.57 354.46 52.81 o
1 9 0 22793.08 22912.87 604.07 o
3 9 0 75493.81 75158.72 511.63 o
5 9 0 1893.43 1910.61 81.45 o
7 9 0 9015.29 9549.20 430.84 o
0 10 0 70595.61 68376.05 437.94 o
2 10 0 2926.01 3447.05 102.79 o
4 10 0 30430.45 30980.81 486.20 o
6 10 0 18337.32 18704.93 415.28 o
8 10 0 8035.49 7611.43 319.95 o
1 11 0 22379.02 22437.04 532.08 o
3 11 0 877.37 843.76 42.47 o
5 11 0 477.50 502.45 45.51 o
7 11 0 10751.03 10847.16 249.92 o
0 12 0 876.78 1324.77 73.56 o
2 12 0 6055.86 6595.73 226.38 o
4 12 0 518.22 533.97 47.69 o
6 12 0 296.89 345.87 43.23 o
8 12 0 12.33 43.11 42.27 o
1 13 0 26949.21 26791.23 404.48 o
3 13 0 9220.36 9706.16 246.40 o
5 13 0 77.38 -20.14 32.81 o
7 13 0 15952.56 16395.04 574.74 o
0 14 0 83540.21 84858.29 844.34 o
2 14 0 522.69 438.29 60.54 o
4 14 0 8927.85 8807.20 184.76 o
6 14 0 18786.68 19602.04 444.77 o
1 15 0 11212.46 11401.20 275.81 o
3 15 0 21322.46 21904.40 350.68 o
5 15 0 105.97 107.19 39.07 o
7 15 0 6001.81 6027.70 268.52 o
0 16 0 39.42 316.16 76.39 o
2 16 0 1055.43 988.48 80.28 o
4 16 0 7186.74 7164.59 274.24 o
6 16 0 380.49 389.63 65.50 o
1 17 0 10532.55 11040.21 295.92 o
3 17 0 1981.20 2002.70 119.44 o
5 17 0 3122.22 3571.50 281.34 o
0 18 0 11177.48 11709.17 445.73 o
2 18 0 5662.16 5583.27 211.36 o
4 18 0 12777.65 14380.72 574.16 o
6 18 0 3107.19 3373.25 287.80 o
1 19 0 2501.11 2275.94 138.37 o
3 19 0 18047.41 19483.61 1101.76 o
5 19 0 3805.40 4217.02 322.63 o
0 20 0 8768.53 8473.63 397.71 o
2 20 0 2046.07 2026.44 135.30 o
4 20 0 7054.54 7320.00 429.77 o
1 21 0 2980.37 3051.87 171.36 o
3 21 0 9.95 138.22 102.33 o
0 22 0 4769.25 4812.52 316.25 o
2 22 0 1987.25 1974.00 140.58 o
1 23 0 3527.32 3221.16 353.46 o
-9 1 1 1232.50 1226.42 79.46 o
-7 1 1 13066.12 13301.83 509.32 o
-5 1 1 22795.11 24860.39 881.35 o
-3 1 1 8732.18 9017.33 190.01 o
-1 1 1 35490.09 37230.79 429.27 o
1 1 1 72438.87 72059.29 804.54 o
3 1 1 5376.09 5783.17 204.43 o
5 1 1 464.01 388.12 20.93 o
7 1 1 5455.27 5575.13 124.25 o
9 1 1 1949.79 2037.68 160.94 o
-8 2 1 18.06 5.68 20.56 o
-6 2 1 51556.50 52311.22 648.97 o
-4 2 1 2665.17 3068.75 99.43 o
-2 2 1 41651.07 42941.43 738.54 o
2 2 1 58956.94 59596.31 417.32 o
4 2 1 36997.14 36360.59 338.60 o
6 2 1 6739.44 6664.69 163.70 o
8 2 1 19343.68 18807.65 296.20 o
-9 3 1 13136.87 12954.83 323.23 o
-7 3 1 5566.35 5430.59 142.58 o
-5 3 1 4501.42 4486.99 144.66 o
-3 3 1 51030.07 50881.33 833.72 o
-1 3 1 7904.74 8080.89 254.72 o
1 3 1 194263.72 198946.33 1181.93 o
3 3 1 18032.69 17728.49 296.52 o
5 3 1 40748.33 40506.76 335.08 o
7 3 1 16872.75 15753.37 315.78 o
9 3 1 1212.23 1101.32 86.35 o
-8 4 1 2000.22 2102.30 120.10 o
-6 4 1 6520.13 6651.77 121.45 o
-4 4 1 16323.58 16848.31 324.92 o
-2 4 1 54370.71 54113.62 489.08 o
0 4 1 0.81 11.31 4.02 o
2 4 1 732.53 757.95 28.19 o
4 4 1 34802.21 35281.75 317.08 o
6 4 1 3998.41 3888.76 122.66 o
8 4 1 457.46 463.85 59.66 o
-9 5 1 248.45 171.04 42.54 o
-7 5 1 3195.77 3075.63 105.27 o
-5 5 1 2243.34 2140.95 73.34 o
-3 5 1 373.24 473.82 17.27 o
-1 5 1 496.89 481.62 17.38 o
1 5 1 17633.08 18758.59 373.41 o
3 5 1 2128.47 2353.33 51.88 o
5 5 1 735.79 675.48 56.22 o
7 5 1 4908.76 4750.67 172.61 o
9 5 1 51.24 92.95 60.26 o
-8 6 1 3358.82 3139.85 292.43 o
-6 6 1 10344.35 11036.97 229.14 o
-4 6 1 9491.06 9544.93 137.82 o
-2 6 1 74534.12 74774.18 432.36 o
0 6 1 21995.62 22259.47 298.63 o
2 6 1 5434.86 6017.20 220.60 o
4 6 1 44265.68 41801.32 1420.86 o
6 6 1 11.88 5.57 14.52 o
8 6 1 4267.72 4102.57 177.79 o
-9 7 1 16923.00 16607.25 1503.67 o
-7 7 1 6767.04 6503.28 158.57 o
-5 7 1 7321.93 7659.79 200.44 o
-3 7 1 109227.81 106736.14 607.75 o
-1 7 1 19329.59 19655.67 125.58 o
1 7 1 43554.90 42782.89 453.93 o
3 7 1 43593.94 44113.27 641.58 o
5 7 1 54551.84 54495.28 820.46 o
7 7 1 6823.62 6410.91 208.20 o
-8 8 1 266.11 264.35 111.39 o
-6 8 1 21047.94 21725.63 844.20 o
-4 8 1 5426.46 5802.82 116.28 o
-2 8 1 52127.84 51660.49 410.41 o
0 8 1 52017.16 54674.53 630.09 o
2 8 1 15075.25 15405.81 191.56 o
4 8 1 40918.74 41892.98 518.35 o
6 8 1 69.03 62.39 19.78 o
8 8 1 6718.77 6698.82 425.05 o
-7 9 1 2016.24 1945.87 89.96 o
-5 9 1 873.12 800.46 38.54 o
-3 9 1 17.66 21.89 16.27 o
-1 9 1 7308.28 7609.78 71.90 o
1 9 1 4721.64 4030.59 109.57 o
3 9 1 1610.15 1734.54 71.87 o
5 9 1 108.43 155.05 27.44 o
7 9 1 3677.24 3571.05 130.70 o
-8 10 1 3079.59 2972.70 397.81 o
-6 10 1 3733.75 3509.90 119.36 o
-4 10 1 6560.48 6509.19 155.20 o
-2 10 1 24318.08 25117.40 428.29 o
0 10 1 1249.67 1405.49 33.70 o
2 10 1 301.75 318.02 28.62 o
4 10 1 32174.53 33284.46 935.77 o
6 10 1 723.40 645.73 54.58 o
8 10 1 532.98 661.71 103.14 o
-7 11 1 3359.49 3345.41 125.83 o
-5 11 1 4853.12 4966.73 173.97 o
-3 11 1 25882.94 26563.69 558.92 o
-1 11 1 1088.03 1153.49 28.59 o
1 11 1 45535.35 44652.56 489.42 o
3 11 1 1828.64 1692.05 62.65 o
5 11 1 3317.87 3357.65 119.72 o
7 11 1 11401.49 11460.49 253.39 o
-8 12 1 447.51 479.76 107.80 o
-6 12 1 27486.64 29208.39 693.53 o
-4 12 1 98.56 170.12 53.00 o
-2 12 1 8282.45 8104.04 103.39 o
0 12 1 47267.68 46719.43 657.94 o
2 12 1 26464.17 27272.70 575.63 o
4 12 1 26238.96 26701.90 384.66 o
6 12 1 1292.11 1344.39 83.64 o
-7 13 1 10088.60 9740.11 561.40 o
-5 13 1 6388.08 6152.87 211.38 o
-3 13 1 16638.76 17597.06 279.84 o
-1 13 1 869.56 841.05 26.93 o
1 13 1 41730.32 41957.36 417.37 o
3 13 1 275.64 247.69 24.68 o
5 13 1 5623.81 5667.24 169.70 o
7 13 1 7780.11 8181.56 398.60 o
-6 14 1 39.09 67.52 43.75 o
-4 14 1 684.25 607.22 47.35 o
-2 14 1 2566.25 2695.62 74.00 o
0 14 1 1.99 19.15 16.41 o
2 14 1 3438.52 3600.66 108.17 o
4 14 1 2.82 -22.00 22.00 o
6 14 1 1687.90 1647.53 178.07 o
-7 15 1 7005.57 6860.85 285.58 o
-5 15 1 9196.78 9212.56 287.14 o
-3 15 1 3904.62 3904.10 126.21 o
-1 15 1 165.24 221.17 21.62 o
1 15 1 23856.09 24402.80 344.57 o
3 15 1 1100.70 1207.35 90.66 o
5 15 1 44.21 5.82 33.76 o
7 15 1 6354.56 6325.87 377.04 o
-6 16 1 20623.74 20782.35 525.24 o
-4 16 1 1115.57 1060.85 92.81 o
-2 16 1 8072.77 8577.77 224.16 o
0 16 1 27777.84 27911.44 353.46 o
2 16 1 6374.15 6391.62 173.99 o
4 16 1 14342.52 14771.61 540.39 o
6 16 1 459.82 441.33 105.08 o
-5 17 1 2202.28 2314.33 162.25 o
-3 17 1 32632.08 34004.66 461.03 o
-1 17 1 5005.27 4705.29 189.98 o
1 17 1 25269.95 24693.21 453.79 o
3 17 1 7035.52 7584.81 236.23 o
5 17 1 15057.85 15342.53 591.09 o
-6 18 1 364.46 377.66 64.80 o
-4 18 1 5731.95 5976.62 232.63 o
-2 18 1 10767.58 10858.25 301.55 o
0 18 1 416.52 356.91 53.66 o
2 18 1 904.94 708.19 126.28 o
4 18 1 13354.93 13853.63 559.91 o
6 18 1 1691.31 1719.33 210.38 o
-5 19 1 90.64 5.06 55.43 o
-3 19 1 417.19 342.85 59.78 o
-1 19 1 291.58 221.05 65.42 o
1 19 1 2599.83 2346.81 141.94 o
3 19 1 23.85 18.58 22.00 o
5 19 1 323.82 420.90 113.01 o
-4 20 1 1478.84 1443.18 183.16 o
-2 20 1 15661.79 15962.77 838.48 o
0 20 1 1827.07 1832.02 129.49 o
2 20 1 990.50 937.80 91.68 o
4 20 1 17985.91 20889.76 744.59 o
-3 21 1 18921.98 21424.75 719.55 o
-1 21 1 999.38 881.78 92.12 o
1 21 1 8553.16 8804.21 668.76 o
3 21 1 6467.68 7549.79 439.86 o
-2 22 1 6335.39 6477.14 308.09 o
0 22 1 8514.83 8472.97 300.31 o
2 22 1 1947.62 1848.99 237.63 o
-1 23 1 924.40 841.28 93.83 o
1 23 1 4011.29 3980.60 434.69 o
-8 0 2 12242.29 12400.58 451.70 o
-6 0 2 58850.69 60298.98 990.04 o
-4 0 2 31127.49 32938.91 576.45 o
-2 0 2 117487.26 123507.76 2587.16 o
2 0 2 154664.69 153318.23 1633.57 o
4 0 2 2621.73 2590.12 91.39 o
6 0 2 13217.34 12886.60 345.91 o
8 0 2 33728.01 32622.68 688.63 o
-9 1 2 3326.94 3301.87 171.26 o
-7 1 2 8.83 -35.50 35.50 o
-5 1 2 48156.27 48881.90 569.44 o
-3 1 2 12968.23 13224.13 116.15 o
-1 1 2 16821.32 16999.08 148.26 o
1 1 2 51818.97 51085.49 418.85 o
3 1 2 20697.50 21925.14 275.35 o
5 1 2 24888.30 24744.06 283.28 o
7 1 2 2074.65 1945.04 99.80 o
9 1 2 5457.18 5342.57 194.81 o
-8 2 2 655.17 613.86 70.25 o
-6 2 2 2678.52 2748.53 123.71 o
-4 2 2 43.94 55.52 13.18 o
-2 2 2 7734.88 7792.45 251.86 o
0 2 2 801.67 888.36 40.07 o
2 2 2 10.18 33.32 25.80 o
4 2 2 10812.91 11090.04 205.06 o
6 2 2 273.64 304.94 26.82 o
8 2 2 100.29 130.30 40.17 o
-9 3 2 32.13 57.71 41.89 o
-7 3 2 136.30 112.04 29.77 o
-5 3 2 17506.15 17699.29 229.66 o
-3 3 2 1070.60 1108.89 36.90 o
-1 3 2 4475.75 4366.99 80.60 o
1 3 2 41498.25 42553.53 575.80 o
3 3 2 16372.29 17428.84 254.88 o
5 3 2 4.09 18.71 19.66 o
7 3 2 5201.16 4920.48 160.86 o
9 3 2 3587.85 3527.09 160.87 o
-8 4 2 6256.98 6174.58 227.45 o
-6 4 2 22653.43 23589.88 573.72 o
-4 4 2 29262.51 31931.74 357.78 o
-2 4 2 52829.00 53241.19 726.11 o
0 4 2 3176.21 3243.16 76.30 o
2 4 2 73892.26 79102.42 1756.00 o
4 4 2 28694.82 30830.48 396.00 o
6 4 2 14719.80 14913.15 299.24 o
8 4 2 10751.90 10771.65 265.40 o
-9 5 2 16950.24 16880.15 971.36 o
-7 5 2 836.61 887.47 56.87 o
-5 5 2 24231.37 24886.96 395.80 o
-3 5 2 76598.68 81848.63 751.20 o
-1 5 2 89915.16 90617.22 885.75 o
1 5 2 53376.47 52595.66 444.61 o
3 5 2 2532.35 2889.80 57.76 o
5 5 2 71405.12 70394.30 892.37 o
7 5 2 34.99 9.24 36.95 o
9 5 2 4768.75 4869.14 277.17 o
-8 6 2 10881.34 10017.55 900.91 o
-6 6 2 1866.80 1861.29 63.33 o
-4 6 2 330.82 340.83 25.63 o
-2 6 2 50900.37 50231.25 446.87 o
0 6 2 1698.71 1749.48 34.93 o
2 6 2 676.47 533.83 27.20 o
4 6 2 14722.57 14121.64 180.49 o
6 6 2 7219.94 7231.71 167.66 o
8 6 2 2750.32 2603.07 170.64 o
-9 7 2 117.13 152.11 38.22 o
-7 7 2 619.60 533.97 43.21 o
-5 7 2 200.98 193.04 18.81 o
-3 7 2 9.98 3.88 6.65 o
-1 7 2 80.97 98.10 18.74 o
1 7 2 1538.80 1521.05 79.36 o
3 7 2 1139.76 1060.85 34.90 o
5 7 2 113.04 122.54 27.05 o
7 7 2 288.71 233.66 55.80 o
-8 8 2 9376.86 9178.71 703.40 o
-6 8 2 501.02 478.18 33.16 o
-4 8 2 1793.22 1849.49 42.53 o
-2 8 2 54007.41 53764.05 503.62 o
0 8 2 1383.21 1244.61 33.80 o
2 8 2 570.12 545.89 63.83 o
4 8 2 13748.01 13498.45 180.77 o
6 8 2 6274.53 6095.48 191.19 o
8 8 2 1286.19 1200.58 137.80 o
-7 9 2 581.97 523.36 45.88 o
-5 9 2 28545.37 29427.99 391.79 o
-3 9 2 25475.47 25990.35 351.32 o
-1 9 2 43551.07 39927.52 905.28 o
1 9 2 29968.30 28547.31 631.32 o
3 9 2 111.66 152.24 45.28 o
5 9 2 44512.85 45305.64 577.51 o
7 9 2 17.01 82.14 30.84 o
-8 10 2 7060.50 6854.73 774.62 o
-6 10 2 23212.76 23141.73 319.17 o
-4 10 2 10999.86 10932.65 124.82 o
-2 10 2 39192.61 39140.65 358.11 o
0 10 2 2562.25 2419.01 52.60 o
2 10 2 80898.04 81957.32 5262.10 o
4 10 2 3868.80 3829.29 211.98 o
6 10 2 9214.28 9042.21 253.05 o
8 10 2 14303.50 13944.22 490.01 o
-7 11 2 1725.43 1753.05 88.39 o
-5 11 2 18160.70 18979.49 299.27 o
-3 11 2 1367.55 1123.40 132.30 o
-1 11 2 5174.87 5490.49 59.42 o
1 11 2 38299.75 39796.73 331.55 o
3 11 2 7549.59 7937.61 215.16 o
5 11 2 2334.58 2391.06 127.90 o
7 11 2 871.25 713.69 76.57 o
-8 12 2 725.61 501.16 103.42 o
-6 12 2 0.04 -5.96 23.61 o
-4 12 2 701.25 773.77 41.74 o
-2 12 2 3951.66 3899.65 62.43 o
0 12 2 41.74 27.05 13.61 o
2 12 2 1205.41 1291.08 63.51 o
4 12 2 1646.92 1627.96 160.94 o
6 12 2 811.53 831.89 83.15 o
-7 13 2 74.08 17.40 34.92 o
-5 13 2 37848.84 37053.95 583.58 o
-3 13 2 10.92 -1.09 13.93 o
-1 13 2 8150.62 8047.87 169.41 o
1 13 2 32127.93 33124.82 370.83 o
3 13 2 6159.97 6328.19 200.93 o
5 13 2 16800.60 17055.52 377.27 o
7 13 2 4012.75 3728.31 230.12 o
-6 14 2 13651.73 13944.61 407.58 o
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0 14 2 4598.58 4690.10 98.60 o
2 14 2 62931.09 64156.16 1337.70 o
4 14 2 984.68 976.07 85.38 o
6 14 2 1719.05 1697.96 123.46 o
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1 15 2 9406.59 9210.67 189.91 o
3 15 2 1139.81 1295.69 112.98 o
5 15 2 13432.19 13617.97 471.73 o
7 15 2 25.43 146.42 57.78 o
-6 16 2 123.37 91.57 31.31 o
-4 16 2 707.04 628.62 68.07 o
-2 16 2 10051.42 10376.14 208.57 o
0 16 2 692.49 625.63 51.16 o
2 16 2 725.87 725.46 54.57 o
4 16 2 4637.29 4751.47 304.30 o
6 16 2 3046.13 2904.65 250.27 o
-5 17 2 8234.07 8206.19 279.66 o
-3 17 2 111.50 103.90 23.54 o
-1 17 2 24.76 14.71 18.95 o
1 17 2 4629.29 4799.71 142.19 o
3 17 2 2148.08 1889.93 190.04 o
5 17 2 877.08 1039.88 154.02 o
-6 18 2 4491.33 4504.79 221.55 o
-4 18 2 2945.38 2617.32 152.60 o
-2 18 2 25863.40 25694.64 364.34 o
0 18 2 307.31 251.81 35.68 o
2 18 2 15986.35 15601.12 690.68 o
4 18 2 9569.50 10038.86 476.14 o
-5 19 2 4754.00 4792.32 221.15 o
-3 19 2 8591.66 8835.56 212.05 o
-1 19 2 20064.06 20166.33 430.28 o
1 19 2 6645.19 6956.98 246.53 o
3 19 2 3.21 -13.83 35.18 o
5 19 2 18242.77 18780.39 696.56 o
-4 20 2 92.61 101.92 34.52 o
-2 20 2 12413.62 12996.14 351.11 o
0 20 2 168.93 87.93 35.76 o
2 20 2 4406.93 4813.11 507.58 o
4 20 2 2913.37 3483.07 297.03 o
-3 21 2 274.53 267.89 90.96 o
-1 21 2 21.67 -19.66 55.50 o
1 21 2 1211.97 1187.16 108.50 o
3 21 2 2308.94 2253.52 237.85 o
-2 22 2 10546.30 10376.40 326.34 o
0 22 2 622.55 589.49 261.67 o
2 22 2 961.31 820.62 93.28 o
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