#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:41:11 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181871 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/01/2020102.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_2020102
_cell_angle_alpha                90.000
_cell_angle_beta                 111.135
_cell_angle_gamma                90.000
_cell_length_a                   10.9815
_cell_length_b                   10.8697
_cell_length_c                   11.1525
_exptl_crystal_F_000             720.00
_reflns_d_resolution_high        0.7969
_cod_data_source_file            yf3093Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' argp139 in I2/a No15'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            252.38
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'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 17628.20 17330.79 113.00 o
6 0 0 108.01 116.49 21.53 o
8 0 0 8828.78 8919.88 201.33 o
10 0 0 3091.33 3022.76 318.50 o
12 0 0 710.38 1073.80 214.18 o
3 1 0 9252.76 9200.82 100.53 o
5 1 0 809.62 769.93 32.27 o
7 1 0 5465.58 5369.67 100.05 o
9 1 0 5.08 16.37 45.97 o
11 1 0 946.09 1006.76 106.18 o
0 2 0 8255.50 8546.19 197.64 o
2 2 0 4.68 8.44 6.96 o
4 2 0 2704.99 2730.80 74.98 o
6 2 0 199.90 216.67 22.17 o
8 2 0 411.31 371.83 29.43 o
10 2 0 323.51 395.34 77.94 o
12 2 0 1.60 66.75 62.11 o
1 3 0 20544.10 20173.69 213.86 o
3 3 0 16364.79 16677.23 237.13 o
5 3 0 266.34 282.86 36.30 o
7 3 0 17212.38 15478.41 227.79 o
9 3 0 16.72 52.40 31.30 o
11 3 0 3923.55 3700.21 256.09 o
0 4 0 27907.82 27663.35 412.80 o
2 4 0 1929.16 1850.00 86.12 o
4 4 0 14801.44 14649.45 300.37 o
6 4 0 11885.68 11483.77 228.30 o
8 4 0 10927.48 11255.39 373.57 o
10 4 0 3065.97 3071.21 352.86 o
12 4 0 1564.38 1637.00 300.63 o
1 5 0 1160.09 1327.09 103.57 o
3 5 0 186.83 161.55 44.27 o
5 5 0 166.70 183.44 33.89 o
7 5 0 258.22 175.07 45.33 o
9 5 0 9.99 18.91 30.97 o
11 5 0 18.58 13.78 47.57 o
0 6 0 4523.80 4587.31 303.38 o
2 6 0 1957.72 2067.36 141.61 o
4 6 0 4620.17 4694.21 320.14 o
6 6 0 7469.69 7665.98 453.17 o
8 6 0 4632.08 4373.48 258.20 o
10 6 0 2116.43 2015.78 202.65 o
1 7 0 8273.85 8365.27 345.51 o
3 7 0 5975.51 5521.24 253.72 o
5 7 0 41.98 67.01 55.45 o
7 7 0 8225.02 8581.27 451.34 o
9 7 0 160.90 254.75 65.78 o
11 7 0 2757.30 2312.54 366.58 o
0 8 0 4403.14 4280.41 348.39 o
2 8 0 79.74 225.35 64.48 o
4 8 0 2588.04 2857.47 301.13 o
6 8 0 479.64 617.36 153.26 o
8 8 0 625.00 783.49 157.42 o
10 8 0 472.05 869.65 207.27 o
1 9 0 1000.96 948.52 121.02 o
3 9 0 1168.03 1187.54 137.50 o
5 9 0 50.06 141.88 63.82 o
7 9 0 1282.78 1201.16 169.65 o
9 9 0 8.27 81.52 67.12 o
0 10 0 15081.31 14639.29 725.60 o
2 10 0 6.07 -18.77 59.58 o
4 10 0 6557.74 6946.79 530.89 o
6 10 0 722.42 909.30 207.35 o
8 10 0 1975.05 1679.67 718.73 o
1 11 0 2277.97 2570.94 229.76 o
3 11 0 1341.44 1519.88 183.12 o
5 11 0 205.70 409.04 146.88 o
7 11 0 952.77 785.84 328.78 o
0 12 0 243.17 262.77 135.64 o
2 12 0 54.96 37.16 65.20 o
4 12 0 9.56 -80.64 56.34 o
6 12 0 5.32 192.71 101.88 o
1 13 0 740.57 925.26 155.15 o
3 13 0 969.58 1211.25 273.01 o
-12 1 1 1828.54 2168.58 215.76 o
-10 1 1 1617.02 1804.24 129.24 o
-8 1 1 7295.88 7670.06 156.63 o
-6 1 1 9451.39 9470.64 129.50 o
-4 1 1 11039.10 10977.41 123.47 o
-2 1 1 21230.23 21511.25 143.52 o
2 1 1 12728.38 12849.75 111.16 o
4 1 1 7248.27 7737.46 110.54 o
6 1 1 14004.71 14225.92 172.18 o
8 1 1 2778.26 2828.17 97.82 o
10 1 1 1833.31 1832.92 168.61 o
12 1 1 2701.40 2714.15 234.05 o
-11 2 1 956.60 1114.01 129.56 o
-9 2 1 17995.41 17925.46 312.98 o
-7 2 1 1216.00 1210.67 65.56 o
-5 2 1 39806.61 40146.49 349.42 o
-3 2 1 3068.24 3149.05 103.49 o
1 2 1 644.39 712.98 38.50 o
3 2 1 20206.02 20603.71 180.03 o
5 2 1 11448.39 10917.75 303.01 o
7 2 1 2444.09 2317.72 95.92 o
9 2 1 6528.85 6597.78 312.47 o
11 2 1 23.74 161.74 86.51 o
-12 3 1 170.57 407.30 148.00 o
-10 3 1 8.37 47.31 50.92 o
-8 3 1 226.14 268.12 37.39 o
-6 3 1 1829.64 1833.74 88.14 o
-4 3 1 462.44 459.31 41.73 o
-2 3 1 4337.64 4375.82 126.86 o
0 3 1 434.77 403.38 31.53 o
2 3 1 6266.58 6033.20 114.84 o
4 3 1 1355.58 1234.72 61.41 o
6 3 1 3973.06 4066.41 184.07 o
8 3 1 322.21 377.47 52.78 o
10 3 1 269.91 298.89 105.50 o
12 3 1 778.62 1020.70 225.23 o
-11 4 1 452.17 483.28 166.90 o
-9 4 1 2061.82 1973.84 149.22 o
-7 4 1 365.16 387.20 45.44 o
-5 4 1 2636.84 2601.45 116.35 o
-3 4 1 1247.55 1266.94 136.39 o
-1 4 1 1696.14 1654.83 84.45 o
1 4 1 17202.35 17169.93 259.59 o
3 4 1 4056.89 3952.75 119.09 o
5 4 1 14098.44 13428.79 235.62 o
7 4 1 4645.58 4377.89 218.19 o
9 4 1 1198.05 1164.33 137.65 o
11 4 1 21.18 -34.22 23.41 o
-12 5 1 3421.41 2977.22 406.38 o
-10 5 1 212.20 119.54 41.04 o
-8 5 1 5665.95 5457.48 396.50 o
-6 5 1 2688.25 2351.08 163.37 o
-4 5 1 206.05 120.86 51.48 o
-2 5 1 34784.84 34169.19 526.04 o
0 5 1 115.40 137.37 36.82 o
2 5 1 29551.80 28081.75 467.27 o
4 5 1 2917.04 2693.64 111.29 o
6 5 1 17763.97 17298.54 335.75 o
8 5 1 2303.52 2196.72 175.00 o
10 5 1 2691.26 2418.66 217.63 o
-11 6 1 649.83 490.11 157.86 o
-9 6 1 2369.35 2327.65 185.35 o
-7 6 1 36.62 41.84 27.81 o
-5 6 1 6661.59 6728.46 399.88 o
-3 6 1 2164.01 2144.29 213.93 o
-1 6 1 14543.69 14444.57 373.50 o
1 6 1 4598.85 4622.18 342.16 o
3 6 1 6241.49 6170.62 242.14 o
5 6 1 7338.11 7096.88 596.87 o
7 6 1 2152.82 2305.13 190.89 o
9 6 1 2367.37 2167.50 179.35 o
11 6 1 44.25 -23.86 77.03 o
-10 7 1 17.44 3.44 35.80 o
-8 7 1 59.89 1.98 21.09 o
-6 7 1 237.14 227.91 74.28 o
-4 7 1 28.46 -44.12 48.53 o
-2 7 1 1455.45 1642.66 138.67 o
0 7 1 531.84 654.26 86.46 o
2 7 1 344.84 296.86 62.39 o
4 7 1 1.80 30.67 27.28 o
6 7 1 208.89 343.16 82.91 o
8 7 1 50.61 133.37 79.52 o
10 7 1 65.42 55.17 89.28 o
-9 8 1 2690.64 2402.49 497.13 o
-7 8 1 67.50 126.43 84.26 o
-5 8 1 9939.92 9564.51 550.45 o
-3 8 1 1695.86 1800.81 228.92 o
-1 8 1 15241.39 15860.78 721.27 o
1 8 1 2278.59 1920.02 160.65 o
3 8 1 3180.89 2965.57 201.50 o
5 8 1 7369.65 8033.35 505.88 o
7 8 1 1050.73 1085.10 157.58 o
9 8 1 3182.45 3395.04 324.88 o
-8 9 1 2439.04 2173.23 311.43 o
-6 9 1 2273.24 2447.90 304.15 o
-4 9 1 1600.81 1653.68 245.45 o
-2 9 1 8503.76 8749.50 378.61 o
0 9 1 1297.55 1459.49 153.72 o
2 9 1 4368.49 3947.50 247.52 o
4 9 1 671.45 775.56 214.81 o
6 9 1 3153.44 2719.10 604.82 o
8 9 1 1618.72 1603.63 205.15 o
-9 10 1 139.82 540.74 166.65 o
-7 10 1 18.22 -21.41 68.29 o
-5 10 1 287.56 264.79 116.59 o
-3 10 1 12.39 55.60 71.00 o
-1 10 1 12.61 60.29 42.54 o
1 10 1 667.99 537.42 99.45 o
3 10 1 247.01 334.38 107.48 o
5 10 1 640.92 497.77 140.66 o
7 10 1 417.01 356.10 155.59 o
-6 11 1 663.47 713.43 190.86 o
-4 11 1 611.75 722.11 191.61 o
-2 11 1 1690.77 1778.22 198.19 o
0 11 1 69.68 59.97 56.26 o
2 11 1 1898.40 2321.13 238.98 o
4 11 1 306.69 462.76 105.87 o
6 11 1 2128.35 2493.92 345.10 o
-5 12 1 3202.10 3351.79 436.79 o
-3 12 1 215.08 343.55 151.14 o
-1 12 1 4632.98 4751.88 333.21 o
1 12 1 787.61 1173.67 171.83 o
3 12 1 1701.27 1991.32 216.44 o
5 12 1 1893.98 2491.37 367.13 o
-2 13 1 539.61 658.98 186.35 o
0 13 1 1.86 28.34 66.36 o
2 13 1 563.11 705.51 143.42 o
-12 0 2 9.34 -3.86 69.02 o
-10 0 2 16636.11 17710.51 449.29 o
-8 0 2 155.98 120.58 33.84 o
-6 0 2 33439.72 33032.64 369.25 o
-4 0 2 2186.33 2223.20 83.40 o
0 0 2 355.96 436.08 34.46 o
2 0 2 1991.73 1895.10 65.86 o
4 0 2 19301.85 18346.63 629.26 o
6 0 2 5710.34 5934.25 246.02 o
8 0 2 16205.08 15630.81 453.41 o
10 0 2 2688.72 3307.05 320.99 o
-13 1 2 333.40 487.75 111.75 o
-11 1 2 1438.77 1604.14 169.94 o
-9 1 2 349.27 410.38 41.35 o
-7 1 2 10325.53 10352.68 168.40 o
-5 1 2 1181.59 1169.13 39.05 o
-3 1 2 12667.47 12460.86 188.77 o
-1 1 2 2062.55 2080.09 61.00 o
1 1 2 5471.49 5923.56 80.96 o
3 1 2 23484.72 24353.28 242.14 o
5 1 2 8885.39 9058.51 169.47 o
7 1 2 5519.84 5779.44 209.84 o
9 1 2 485.94 639.33 80.42 o
11 1 2 2732.83 3193.69 247.57 o
-12 2 2 8.63 97.46 96.22 o
-10 2 2 263.24 321.69 53.42 o
-8 2 2 1201.72 1212.38 72.13 o
-6 2 2 3846.85 3710.64 124.58 o
-4 2 2 1400.39 1398.69 51.99 o
-2 2 2 6054.24 5948.62 129.56 o
0 2 2 465.84 492.43 37.17 o
2 2 2 1.73 19.43 5.08 o
4 2 2 3301.95 3345.80 91.19 o
6 2 2 5.51 16.27 12.49 o
8 2 2 725.41 604.32 94.30 o
10 2 2 123.03 194.37 62.49 o
-13 3 2 1504.20 1511.47 289.20 o
-11 3 2 1859.14 1870.75 282.10 o
-9 3 2 1011.24 1092.80 109.44 o
-7 3 2 10244.94 10078.84 279.58 o
-5 3 2 876.30 915.43 76.74 o
-3 3 2 44419.09 44877.07 512.00 o
-1 3 2 3258.10 3487.40 116.96 o
1 3 2 29485.69 29826.77 349.88 o
3 3 2 13383.20 13152.05 157.45 o
5 3 2 10173.82 9603.05 235.59 o
7 3 2 8645.73 8047.41 234.04 o
9 3 2 307.16 285.31 77.73 o
11 3 2 6340.00 6528.90 368.82 o
-12 4 2 157.89 118.26 50.12 o
-10 4 2 5688.27 5263.82 243.67 o
-8 4 2 280.71 232.24 50.84 o
-6 4 2 6371.48 6032.84 227.93 o
-4 4 2 15683.45 15119.77 523.65 o
-2 4 2 13054.77 13039.05 451.72 o
0 4 2 31306.91 31261.39 375.16 o
2 4 2 7779.87 8130.53 177.99 o
4 4 2 16522.46 15695.97 213.51 o
6 4 2 768.37 668.01 69.49 o
8 4 2 2450.51 2416.63 146.12 o
10 4 2 1123.92 1089.47 150.36 o
-11 5 2 4.42 -103.58 75.00 o
-9 5 2 48.64 127.75 44.64 o
-7 5 2 294.80 323.83 59.31 o
-5 5 2 1.85 -15.01 17.17 o
-3 5 2 125.94 75.99 44.41 o
-1 5 2 737.46 819.67 94.02 o
1 5 2 637.09 639.49 71.51 o
3 5 2 818.32 829.06 64.31 o
5 5 2 946.76 928.30 73.05 o
7 5 2 1.58 18.25 22.86 o
9 5 2 3.48 42.00 34.44 o
11 5 2 7.48 66.39 44.80 o
-12 6 2 1.14 -37.37 59.95 o
-10 6 2 1619.14 1649.96 228.46 o
-8 6 2 1759.54 1563.58 146.18 o
-6 6 2 5023.69 5069.66 361.38 o
-4 6 2 9642.71 9773.28 481.77 o
-2 6 2 7432.90 6803.77 386.31 o
0 6 2 17059.37 17180.34 555.59 o
2 6 2 3527.26 3580.01 185.25 o
4 6 2 14444.44 13092.23 310.82 o
6 6 2 2284.72 2399.18 195.23 o
8 6 2 1007.35 1018.42 107.19 o
10 6 2 250.65 237.15 120.87 o
-11 7 2 1884.63 2055.36 286.40 o
-9 7 2 1067.77 1095.53 130.09 o
-7 7 2 6530.53 5703.89 300.24 o
-5 7 2 76.76 22.67 19.99 o
-3 7 2 18762.84 18846.70 706.43 o
-1 7 2 2029.12 1940.27 242.15 o
1 7 2 13665.62 13006.20 523.77 o
3 7 2 8983.80 8516.58 533.62 o
5 7 2 6654.16 5965.67 610.11 o
7 7 2 6085.47 6373.26 466.90 o
9 7 2 532.56 499.57 110.53 o
-10 8 2 549.39 769.98 172.57 o
-8 8 2 729.63 570.55 104.19 o
-6 8 2 2968.14 3073.14 320.40 o
-4 8 2 971.25 898.55 156.24 o
-2 8 2 2280.91 2404.02 262.71 o
0 8 2 1482.38 1371.49 138.19 o
2 8 2 253.37 240.94 58.33 o
4 8 2 2454.77 2158.15 170.01 o
6 8 2 91.38 127.50 61.76 o
8 8 2 495.12 602.95 120.80 o
-9 9 2 184.74 246.94 112.05 o
-7 9 2 1099.17 1167.95 213.20 o
-5 9 2 95.63 58.68 61.94 o
-3 9 2 1322.27 1244.33 210.81 o
-1 9 2 171.34 124.64 154.03 o
1 9 2 1161.96 1130.51 132.98 o
3 9 2 1370.97 1372.29 215.12 o
5 9 2 1657.16 1722.65 249.33 o
7 9 2 240.70 219.02 241.53 o
-8 10 2 309.95 580.65 170.22 o
-6 10 2 5159.94 5204.23 487.19 o
-4 10 2 1738.69 1977.05 285.26 o
-2 10 2 3959.20 4119.79 396.68 o
0 10 2 2961.71 3326.98 247.41 o
2 10 2 73.93 94.80 56.05 o
4 10 2 5862.55 6408.62 338.33 o
6 10 2 51.55 16.08 41.83 o
-7 11 2 1229.34 1083.72 234.54 o
-5 11 2 0.72 157.12 118.46 o
-3 11 2 2732.42 2806.08 357.67 o
-1 11 2 178.70 175.45 91.40 o
1 11 2 1346.27 1409.53 211.55 o
3 11 2 1699.89 2036.78 200.61 o
5 11 2 486.78 496.07 164.49 o
-6 12 2 3.95 -53.52 61.91 o
-4 12 2 12.84 48.46 84.78 o
-2 12 2 6.07 197.53 110.38 o
0 12 2 1.24 97.07 58.84 o
2 12 2 19.04 107.25 69.87 o
4 12 2 1.17 -0.79 49.56 o
-3 13 2 2221.77 2750.22 398.11 o
-1 13 2 67.63 41.28 73.69 o
1 13 2 1266.10 1505.96 200.46 o
-12 1 3 2546.49 2624.12 229.02 o
-10 1 3 0.61 55.63 22.12 o
-8 1 3 7358.92 7399.11 163.09 o
-6 1 3 2671.96 2698.17 94.49 o
-4 1 3 6813.74 6619.32 188.20 o
-2 1 3 41675.91 42460.02 797.50 o
0 1 3 9454.79 9618.87 110.45 o
2 1 3 63694.29 64838.13 374.71 o
4 1 3 10980.92 11545.09 191.12 o
6 1 3 12266.23 12525.14 214.83 o
8 1 3 13.32 64.14 25.88 o
10 1 3 3975.91 3994.05 382.18 o
-13 2 3 107.01 335.02 161.44 o
-11 2 3 4631.74 4869.82 224.58 o
-9 2 3 2103.63 2343.92 106.17 o
-7 2 3 2953.59 2873.23 100.16 o
-5 2 3 15369.34 14129.71 404.74 o
-3 2 3 107.70 151.62 34.15 o
-1 2 3 45617.95 48198.55 392.75 o
1 2 3 4122.20 4256.27 80.14 o
3 2 3 28778.38 29888.05 239.34 o
5 2 3 6512.65 6625.81 165.56 o
7 2 3 6361.36 6282.60 234.54 o
9 2 3 6152.35 6264.07 329.72 o
11 2 3 1351.97 1369.40 264.51 o
-12 3 3 348.52 354.21 121.15 o
-10 3 3 731.75 725.26 126.30 o
-8 3 3 5264.59 5386.31 170.49 o
-6 3 3 380.21 415.45 49.05 o
-4 3 3 8459.06 9384.86 257.36 o
-2 3 3 41.03 70.45 17.63 o
0 3 3 482.26 454.45 54.45 o
2 3 3 4437.12 4420.93 125.89 o
4 3 3 258.33 213.30 25.75 o
6 3 3 2195.66 2131.83 165.15 o
8 3 3 69.47 58.49 43.10 o
10 3 3 983.26 933.59 134.73 o
-11 4 3 443.25 431.69 121.88 o
-9 4 3 3758.78 3672.73 185.14 o
-7 4 3 2810.80 2539.15 144.05 o
-5 4 3 8661.11 9385.20 459.09 o
-3 4 3 4480.50 4746.27 174.00 o
-1 4 3 6411.67 6597.75 329.85 o
1 4 3 141.50 144.88 30.80 o
3 4 3 4403.79 4232.55 117.21 o
5 4 3 81.83 58.87 11.77 o
7 4 3 94.35 143.71 57.89 o
9 4 3 1738.01 1658.89 181.20 o
-12 5 3 2523.59 2606.81 386.57 o
-10 5 3 565.61 656.55 145.95 o
-8 5 3 13808.58 13226.05 453.50 o
-6 5 3 4725.89 4685.70 349.06 o
-4 5 3 31705.24 31261.53 854.83 o
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0 5 3 13174.93 13164.26 464.93 o
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4 5 3 216.48 216.82 30.69 o
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10 5 3 8550.03 8439.01 441.94 o
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1 6 3 29.31 31.77 21.89 o
3 6 3 3490.74 3458.57 181.89 o
5 6 3 1036.19 1034.39 88.74 o
7 6 3 430.28 404.70 68.47 o
9 6 3 2030.20 1905.74 209.25 o
-10 7 3 3.25 -39.89 62.10 o
-8 7 3 505.63 513.87 100.48 o
-6 7 3 1.15 70.88 52.11 o
-4 7 3 569.65 630.46 143.94 o
-2 7 3 3.94 40.40 54.60 o
0 7 3 59.35 18.27 28.56 o
2 7 3 234.13 223.60 94.67 o
4 7 3 0.88 -7.23 28.82 o
6 7 3 324.20 394.23 128.51 o
8 7 3 6.63 32.92 42.44 o
-11 8 3 1460.51 1853.07 284.06 o
-9 8 3 2780.88 2634.92 322.62 o
-7 8 3 3969.90 3955.81 382.39 o
-5 8 3 4404.72 4399.82 386.23 o
-3 8 3 1174.62 1091.41 186.14 o
-1 8 3 5516.77 5832.44 402.32 o
1 8 3 863.89 936.38 186.57 o
3 8 3 7951.93 8160.88 425.67 o
5 8 3 877.15 999.04 227.49 o
7 8 3 1318.19 1357.95 190.28 o
-10 9 3 46.65 2.39 46.85 o
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-6 9 3 1119.30 961.34 185.53 o
-4 9 3 2688.93 2573.99 303.90 o
-2 9 3 7878.48 7777.89 510.00 o
0 9 3 3002.20 2774.94 293.97 o
2 9 3 10425.31 10567.61 950.51 o
4 9 3 1062.26 1166.46 139.48 o
6 9 3 5460.46 5729.90 825.75 o
8 9 3 0.74 54.43 53.98 o
-9 10 3 92.62 76.89 45.50 o
-7 10 3 229.18 178.29 67.01 o
-5 10 3 97.27 -37.45 42.41 o
-3 10 3 75.64 100.14 61.29 o
-1 10 3 196.19 326.86 110.23 o
1 10 3 6.35 70.96 74.67 o
3 10 3 198.13 291.86 77.34 o
5 10 3 67.51 34.60 103.57 o
7 10 3 54.30 121.87 88.52 o
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