#------------------------------------------------------------------------------
#$Date: 2020-08-29 07:44:55 +0300 (Sat, 29 Aug 2020) $
#$Revision: 255736 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/86/2108656.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_2108656
_cell_angle_alpha                90.000
_cell_angle_beta                 91.210
_cell_angle_gamma                90.000
_cell_length_a                   15.3660
_cell_length_b                   16.0350
_cell_length_c                   14.3270
_exptl_crystal_F_000             1608.00
_reflns_d_resolution_high        0.8115
_cod_data_source_file            xk5071Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' SHELXL on MC208B'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            429.87
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -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 17551.45 19224.29 573.95 o
4 0 0 184785.66 234375.66 17433.73 o
6 0 0 23444.49 24974.33 1841.12 o
8 0 0 51202.86 50157.07 2174.09 o
10 0 0 100.02 174.60 132.23 o
12 0 0 3.27 302.41 295.49 o
14 0 0 5002.06 5179.90 130.00 o
16 0 0 2.41 113.32 156.47 o
18 0 0 448.16 348.16 305.20 o
1 1 0 89966.50 97394.97 5208.37 o
3 1 0 26866.78 34867.46 1358.07 o
5 1 0 106238.68 134065.75 9422.42 o
7 1 0 23900.79 25981.15 441.47 o
9 1 0 5918.39 5859.31 173.55 o
11 1 0 278.71 174.22 151.52 o
13 1 0 4482.57 4583.34 127.49 o
15 1 0 129.15 90.74 231.99 o
17 1 0 348.28 103.51 276.91 o
0 2 0 60274.65 57180.72 302.54 o
2 2 0 22540.01 25924.93 376.07 o
4 2 0 27559.57 36027.83 466.08 o
6 2 0 13816.46 15579.01 1586.38 o
8 2 0 9538.43 10452.78 215.83 o
10 2 0 6236.36 6689.29 414.24 o
12 2 0 2016.61 1825.56 88.45 o
14 2 0 2175.80 2020.71 237.33 o
16 2 0 1713.52 1651.13 139.74 o
18 2 0 51.43 264.34 304.83 o
1 3 0 3697.43 4448.84 175.06 o
3 3 0 15604.94 20382.58 527.80 o
5 3 0 4196.24 4102.34 89.97 o
7 3 0 1068.32 1046.39 112.45 o
9 3 0 20955.32 21620.37 815.00 o
11 3 0 1664.56 1545.41 87.08 o
13 3 0 9385.47 8109.46 197.44 o
15 3 0 746.68 1017.34 153.33 o
17 3 0 1175.55 1157.98 166.73 o
0 4 0 41300.82 47695.04 361.25 o
2 4 0 2967.84 3462.48 90.94 o
4 4 0 16802.68 20750.60 265.87 o
6 4 0 25009.86 25466.75 2735.37 o
8 4 0 20743.71 20594.54 1077.72 o
10 4 0 915.74 1004.09 136.67 o
12 4 0 1200.99 1173.72 99.89 o
14 4 0 5230.12 5130.96 179.39 o
16 4 0 2338.07 2213.12 149.66 o
18 4 0 94.60 357.51 319.24 o
1 5 0 1746.24 2012.93 138.13 o
3 5 0 5160.64 5047.05 136.40 o
5 5 0 1024.63 1199.03 86.18 o
7 5 0 401.98 314.82 99.77 o
9 5 0 1885.09 2310.39 87.01 o
11 5 0 1842.61 1880.68 89.88 o
13 5 0 2646.35 2618.22 248.90 o
15 5 0 1351.47 1165.23 132.13 o
17 5 0 182.80 240.28 196.36 o
0 6 0 32317.10 32302.08 392.24 o
2 6 0 6594.89 7321.50 198.95 o
4 6 0 37769.30 43648.55 1280.03 o
6 6 0 1516.62 1587.73 219.53 o
8 6 0 1491.63 1638.30 71.71 o
10 6 0 4337.10 4127.78 115.56 o
12 6 0 5832.98 5354.42 173.02 o
14 6 0 351.13 233.64 129.55 o
16 6 0 43.11 79.09 282.29 o
18 6 0 234.33 256.98 343.91 o
1 7 0 23024.93 25642.68 351.01 o
3 7 0 20291.32 25251.97 547.30 o
5 7 0 16554.29 20113.91 1072.27 o
7 7 0 1268.95 1513.90 139.21 o
9 7 0 9019.67 8958.16 1008.35 o
11 7 0 212.11 232.39 188.78 o
13 7 0 1588.42 1712.80 115.41 o
15 7 0 1353.71 1517.30 139.46 o
17 7 0 1766.62 1883.99 205.44 o
0 8 0 24913.36 26392.09 436.62 o
2 8 0 1428.08 1684.16 187.03 o
4 8 0 4569.71 5198.62 182.13 o
6 8 0 2358.65 2418.51 227.71 o
8 8 0 2311.98 2167.79 90.94 o
10 8 0 4560.36 4294.76 266.49 o
12 8 0 4208.82 4478.08 149.24 o
14 8 0 1165.20 971.36 127.40 o
16 8 0 775.72 624.21 359.09 o
1 9 0 7032.52 7272.15 161.31 o
3 9 0 3614.39 4070.20 173.19 o
5 9 0 1567.58 1740.97 80.10 o
7 9 0 1240.42 1254.82 216.09 o
9 9 0 1466.32 1604.53 88.27 o
11 9 0 50.57 462.78 247.76 o
13 9 0 1546.27 1815.51 157.15 o
15 9 0 73.55 260.79 281.94 o
0 10 0 23787.57 23410.14 509.66 o
2 10 0 405.67 452.77 79.87 o
4 10 0 24417.92 27732.73 497.83 o
6 10 0 370.65 434.11 208.01 o
8 10 0 3040.77 2542.18 159.06 o
10 10 0 2047.72 2000.07 126.49 o
12 10 0 1519.40 1301.10 134.88 o
14 10 0 935.37 1028.32 128.58 o
16 10 0 412.90 610.62 220.58 o
1 11 0 9777.53 10661.58 244.39 o
3 11 0 10889.36 12629.72 606.72 o
5 11 0 9953.81 10426.40 1350.77 o
7 11 0 4349.47 4391.85 385.05 o
9 11 0 2058.23 2286.99 145.94 o
11 11 0 52.79 94.69 223.68 o
13 11 0 585.64 394.19 277.02 o
15 11 0 210.06 143.82 209.46 o
0 12 0 16461.04 16992.88 535.80 o
2 12 0 1519.54 1625.62 137.44 o
4 12 0 10899.16 12908.06 296.44 o
6 12 0 230.21 85.79 220.79 o
8 12 0 1663.46 1575.82 124.12 o
10 12 0 145.25 134.79 233.89 o
12 12 0 396.77 395.59 268.82 o
14 12 0 170.93 236.54 302.29 o
1 13 0 302.35 533.40 306.33 o
3 13 0 1431.38 1699.89 142.53 o
5 13 0 427.37 487.36 109.06 o
7 13 0 1515.59 1748.79 213.32 o
9 13 0 696.36 354.78 255.12 o
11 13 0 200.78 198.42 278.18 o
13 13 0 100.32 271.49 297.53 o
0 14 0 258.27 130.03 175.87 o
2 14 0 1198.98 1376.90 588.36 o
4 14 0 1285.17 1253.68 250.62 o
6 14 0 1122.03 930.63 137.15 o
8 14 0 5.32 151.07 274.21 o
10 14 0 2471.56 2257.12 162.47 o
12 14 0 802.17 1017.38 151.35 o
1 15 0 259.36 149.01 269.79 o
3 15 0 362.29 320.69 306.68 o
5 15 0 329.45 605.12 166.83 o
7 15 0 796.24 401.11 317.74 o
9 15 0 1209.11 1577.31 172.72 o
11 15 0 110.42 307.44 319.18 o
0 16 0 1981.35 1793.92 219.52 o
2 16 0 86.47 412.85 301.37 o
4 16 0 704.62 487.16 264.68 o
6 16 0 643.53 403.63 167.69 o
8 16 0 502.50 449.50 172.40 o
10 16 0 219.42 385.62 344.69 o
1 17 0 2551.22 3219.63 197.32 o
3 17 0 2305.62 2719.98 190.34 o
5 17 0 1220.92 1524.86 398.09 o
7 17 0 343.43 538.23 349.42 o
9 17 0 427.61 784.64 285.17 o
0 18 0 3492.54 3689.54 289.98 o
2 18 0 305.27 426.88 349.51 o
4 18 0 3787.40 4095.61 242.12 o
6 18 0 606.98 567.09 198.80 o
1 19 0 357.40 94.55 367.00 o
3 19 0 268.52 681.43 409.68 o
5 19 0 259.51 672.17 401.30 o
-18 0 1 1077.11 196.25 437.84 o
-16 0 1 2852.42 2869.12 229.24 o
-14 0 1 683.34 1018.62 131.69 o
-12 0 1 2776.49 2459.67 129.11 o
-10 0 1 65.55 50.75 181.04 o
-8 0 1 1892.82 1870.31 85.32 o
-6 0 1 12717.18 14500.39 235.32 o
-4 0 1 78649.78 83136.23 412.06 o
-2 0 1 4393.97 4131.25 17.62 o
0 0 1 130287.03 172800.86 374.73 o
2 0 1 27296.93 30782.62 129.37 o
4 0 1 30006.08 30559.93 295.15 o
6 0 1 296.58 431.66 48.10 o
8 0 1 85.44 234.10 149.85 o
10 0 1 725.77 481.70 109.32 o
12 0 1 9523.62 8567.73 288.62 o
14 0 1 7.30 193.28 289.50 o
16 0 1 766.15 593.67 353.08 o
18 0 1 49.25 172.26 421.88 o
-17 1 1 1053.09 1040.57 207.20 o
-15 1 1 948.53 738.56 188.95 o
-13 1 1 3948.99 3423.55 175.92 o
-11 1 1 136.49 55.89 206.80 o
-9 1 1 2461.69 2351.15 112.61 o
-7 1 1 24588.72 24711.58 373.38 o
-5 1 1 39904.76 39372.11 388.94 o
-3 1 1 984.76 1251.51 54.78 o
-1 1 1 51150.31 46465.68 116.11 o
1 1 1 71460.49 65856.95 250.29 o
3 1 1 31996.21 30814.38 331.65 o
5 1 1 7709.98 7976.40 214.10 o
7 1 1 7281.21 7114.92 195.58 o
9 1 1 9912.35 9588.27 316.07 o
11 1 1 347.69 268.42 66.19 o
13 1 1 3007.75 2372.94 163.62 o
15 1 1 631.59 592.43 138.35 o
17 1 1 599.29 78.11 211.03 o
-18 2 1 1917.04 2015.52 276.40 o
-16 2 1 1021.04 912.23 197.16 o
-14 2 1 3212.14 3043.65 171.02 o
-12 2 1 9359.07 8421.06 274.31 o
-10 2 1 10554.13 10315.33 286.47 o
-8 2 1 2537.10 2467.48 85.74 o
-6 2 1 25145.18 26888.60 343.76 o
-4 2 1 45419.89 48591.25 374.85 o
-2 2 1 22069.15 22088.91 218.38 o
0 2 1 18534.12 18669.93 115.15 o
2 2 1 22407.01 20440.04 161.27 o
4 2 1 36742.89 41627.11 382.38 o
6 2 1 13261.09 14961.33 282.57 o
8 2 1 2620.51 3028.86 98.72 o
10 2 1 14297.94 13924.48 423.72 o
12 2 1 5792.61 5191.21 181.09 o
14 2 1 2711.13 2103.51 192.52 o
16 2 1 808.97 399.26 391.24 o
18 2 1 266.36 573.74 191.00 o
-17 3 1 1251.35 928.44 198.30 o
-15 3 1 841.85 872.32 153.95 o
-13 3 1 6204.53 5594.43 169.14 o
-11 3 1 5256.41 5140.90 168.74 o
-9 3 1 5505.73 5290.11 174.60 o
-7 3 1 27427.55 28897.89 414.64 o
-5 3 1 37493.54 44641.02 419.69 o
-3 3 1 44153.50 48680.16 375.62 o
-1 3 1 7675.37 8163.44 192.84 o
1 3 1 33687.12 39466.45 268.55 o
3 3 1 4784.84 4409.36 133.73 o
5 3 1 349.30 300.64 60.08 o
7 3 1 25028.69 24294.66 426.21 o
9 3 1 44768.60 44476.78 692.60 o
11 3 1 1675.05 1724.44 129.13 o
13 3 1 5106.52 4998.64 224.91 o
15 3 1 647.65 676.47 178.48 o
17 3 1 2423.95 2087.61 235.72 o
-18 4 1 1118.29 472.74 457.69 o
-16 4 1 85.39 247.41 350.93 o
-14 4 1 2725.34 2597.73 172.27 o
-12 4 1 2133.44 2216.18 157.68 o
-10 4 1 11777.08 10492.40 292.85 o
-8 4 1 16242.87 15606.12 367.66 o
-6 4 1 7198.58 7737.19 233.01 o
-4 4 1 33605.13 35940.38 371.39 o
-2 4 1 44816.51 48525.10 402.98 o
0 4 1 4268.24 3783.53 90.40 o
2 4 1 7152.92 8598.08 185.77 o
4 4 1 11906.91 12960.66 249.73 o
6 4 1 5903.96 6499.65 191.75 o
8 4 1 9976.67 9469.56 243.67 o
10 4 1 4159.99 4179.48 159.78 o
12 4 1 3746.75 3705.79 176.02 o
14 4 1 2189.91 2506.77 159.52 o
16 4 1 1504.62 1863.30 197.89 o
18 4 1 35.60 92.12 471.38 o
-17 5 1 70.00 74.17 210.35 o
-15 5 1 163.25 131.16 339.18 o
-13 5 1 3062.32 2957.77 195.68 o
-11 5 1 4199.44 4214.14 157.87 o
-9 5 1 7267.47 6553.07 219.18 o
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-5 5 1 19209.15 21056.27 330.11 o
-3 5 1 93541.83 102908.15 669.55 o
-1 5 1 9525.27 7960.27 177.85 o
1 5 1 33360.34 33546.36 332.04 o
3 5 1 9668.06 11633.87 227.74 o
5 5 1 1488.88 1308.76 72.04 o
7 5 1 1252.31 1344.05 78.11 o
9 5 1 8675.84 8919.32 294.32 o
11 5 1 1575.38 1569.01 138.57 o
13 5 1 1022.29 1094.01 151.16 o
15 5 1 1153.31 1200.81 185.59 o
17 5 1 676.48 1178.09 237.88 o
-18 6 1 184.52 210.23 478.18 o
-16 6 1 160.97 374.62 384.61 o
-14 6 1 755.85 1074.47 157.11 o
-12 6 1 1006.98 1054.31 113.40 o
-10 6 1 544.20 435.68 94.51 o
-8 6 1 6832.08 6840.40 254.25 o
-6 6 1 3811.82 3573.88 111.77 o
-4 6 1 51489.87 55292.88 556.61 o
-2 6 1 3856.01 4401.93 160.27 o
0 6 1 12945.44 12292.28 224.37 o
2 6 1 2950.66 2789.08 89.60 o
4 6 1 15059.36 18333.81 348.15 o
6 6 1 1473.87 1478.01 72.09 o
8 6 1 2644.33 2686.23 112.23 o
10 6 1 809.18 964.98 116.21 o
12 6 1 2350.91 2408.52 161.25 o
14 6 1 327.64 238.33 336.54 o
16 6 1 559.85 456.48 400.11 o
-17 7 1 1180.64 1089.39 186.43 o
-15 7 1 402.03 60.43 366.36 o
-13 7 1 5.18 9.31 294.26 o
-11 7 1 90.82 146.28 255.03 o
-9 7 1 5879.55 5531.66 193.30 o
-7 7 1 4740.97 4670.91 156.30 o
-5 7 1 14455.56 15100.03 329.21 o
-3 7 1 7486.38 8660.47 295.49 o
-1 7 1 26711.15 25082.87 369.89 o
1 7 1 8136.34 8278.00 207.22 o
3 7 1 10674.46 8491.18 237.95 o
5 7 1 9362.15 8605.21 345.32 o
7 7 1 3799.94 3819.92 150.61 o
9 7 1 1176.83 1286.57 113.36 o
11 7 1 3526.62 3754.99 181.36 o
13 7 1 7743.52 7301.75 256.86 o
15 7 1 599.40 536.23 383.15 o
17 7 1 179.76 547.36 451.35 o
-16 8 1 1524.52 664.31 454.58 o
-14 8 1 2786.59 2369.31 215.29 o
-12 8 1 1389.28 1128.66 139.47 o
-10 8 1 7728.57 6585.70 237.25 o
-8 8 1 533.42 312.89 225.54 o
-6 8 1 3333.67 3010.93 123.36 o
-4 8 1 5334.20 6115.45 198.35 o
-2 8 1 7171.04 7637.42 227.01 o
0 8 1 3745.43 3066.83 86.65 o
2 8 1 10767.49 10408.41 262.24 o
4 8 1 5327.50 4834.62 182.46 o
6 8 1 12045.82 10707.64 348.79 o
8 8 1 1899.80 1739.01 116.64 o
10 8 1 6770.80 6335.79 206.04 o
12 8 1 2816.41 2409.00 169.07 o
14 8 1 1661.01 1969.33 202.66 o
16 8 1 7.51 418.30 404.41 o
-15 9 1 115.23 145.40 414.97 o
-13 9 1 559.67 201.87 362.56 o
-11 9 1 176.94 225.35 296.22 o
-9 9 1 446.87 433.10 114.64 o
-7 9 1 786.65 833.42 94.45 o
-5 9 1 3637.16 3826.42 142.87 o
-3 9 1 11741.95 13205.15 370.99 o
-1 9 1 3614.56 2908.03 115.27 o
1 9 1 4753.25 4674.73 156.92 o
3 9 1 13216.26 12837.55 326.72 o
5 9 1 13203.95 13045.88 374.09 o
7 9 1 2982.05 3072.21 129.25 o
9 9 1 3395.43 3286.41 141.67 o
11 9 1 2294.73 2388.84 175.30 o
13 9 1 4162.36 3426.28 206.40 o
15 9 1 388.19 355.12 408.94 o
-16 10 1 279.58 55.03 465.76 o
-14 10 1 233.97 233.90 392.08 o
-12 10 1 322.43 252.20 324.97 o
-10 10 1 77.46 208.25 136.71 o
-8 10 1 2076.67 1569.23 128.06 o
-6 10 1 137.01 291.66 251.17 o
-4 10 1 2419.37 2384.69 163.01 o
-2 10 1 327.44 393.31 97.63 o
0 10 1 11170.69 10858.13 335.09 o
2 10 1 4248.62 3961.43 116.55 o
4 10 1 5282.17 5205.26 161.33 o
6 10 1 4365.37 4529.07 178.76 o
8 10 1 1883.27 2471.06 132.67 o
10 10 1 3691.97 3712.62 186.49 o
12 10 1 261.36 327.24 181.12 o
14 10 1 1319.58 1283.58 208.64 o
16 10 1 190.80 535.31 465.43 o
-15 11 1 47.27 18.07 229.43 o
-13 11 1 40.90 218.33 393.55 o
-11 11 1 421.56 383.71 141.29 o
-9 11 1 1415.84 1322.94 136.90 o
-7 11 1 4334.36 4309.64 160.42 o
-5 11 1 2878.43 3612.79 203.90 o
-3 11 1 13119.61 13642.54 473.60 o
-1 11 1 10189.26 9124.30 318.58 o
1 11 1 2375.77 2455.68 127.51 o
3 11 1 1947.08 2222.82 113.32 o
5 11 1 3990.62 3814.28 141.65 o
7 11 1 3815.24 3417.36 156.88 o
9 11 1 1797.80 2011.63 149.01 o
11 11 1 584.46 704.16 151.02 o
13 11 1 391.35 121.97 396.73 o
15 11 1 71.10 375.18 455.12 o
-14 12 1 249.62 57.65 441.99 o
-12 12 1 603.57 339.07 134.54 o
-10 12 1 207.92 173.18 315.47 o
-8 12 1 6647.22 6206.72 225.03 o
-6 12 1 773.15 379.95 371.21 o
-4 12 1 6550.36 6652.87 251.86 o
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0 12 1 12727.06 12102.16 311.80 o
2 12 1 3376.36 3106.98 129.17 o
4 12 1 612.44 650.48 129.35 o
6 12 1 3786.07 3628.65 178.83 o
8 12 1 329.64 133.57 298.54 o
10 12 1 278.29 349.31 345.60 o
12 12 1 801.67 892.10 182.36 o
14 12 1 26.89 910.61 447.56 o
-13 13 1 162.90 305.57 206.57 o
-11 13 1 553.37 304.44 131.44 o
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-1 13 1 3224.75 3061.92 183.83 o
1 13 1 2000.96 1721.72 152.35 o
3 13 1 1520.59 1428.89 128.46 o
5 13 1 3015.76 2568.90 173.80 o
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9 13 1 1398.43 1346.59 186.53 o
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-12 14 1 36.42 312.43 388.29 o
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2 14 1 490.37 401.92 113.82 o
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6 14 1 179.77 72.30 322.21 o
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10 14 1 753.03 547.20 216.18 o
12 14 1 1980.36 1635.98 200.07 o
-11 15 1 498.87 560.77 217.12 o
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-3 15 1 2418.69 2367.28 232.57 o
-1 15 1 450.62 290.09 302.98 o
1 15 1 921.47 810.85 128.63 o
3 15 1 76.40 42.60 306.65 o
5 15 1 1179.94 1613.28 174.21 o
7 15 1 519.21 248.08 385.97 o
9 15 1 421.65 896.12 188.91 o
11 15 1 57.75 376.54 427.80 o
-10 16 1 261.40 209.78 241.38 o
-8 16 1 878.92 834.02 488.02 o
-6 16 1 937.24 630.49 535.80 o
-4 16 1 1188.32 770.58 492.77 o
-2 16 1 214.57 471.79 367.37 o
0 16 1 933.94 148.49 328.63 o
2 16 1 656.06 450.68 164.95 o
4 16 1 2218.52 2086.00 201.87 o
6 16 1 82.57 256.96 198.98 o
8 16 1 143.78 341.88 418.58 o
10 16 1 190.72 204.51 245.70 o
-9 17 1 336.04 465.45 301.77 o
-7 17 1 285.44 194.61 593.95 o
-5 17 1 693.54 220.90 555.67 o
-3 17 1 1331.34 1084.58 216.76 o
-1 17 1 2042.05 1441.78 183.87 o
1 17 1 1157.09 1246.99 161.43 o
3 17 1 1295.94 1524.74 190.24 o
5 17 1 323.73 220.71 397.02 o
7 17 1 95.42 27.09 223.18 o
9 17 1 113.04 131.94 247.38 o
-6 18 1 84.06 136.40 643.71 o
-4 18 1 830.11 185.69 542.28 o
-2 18 1 422.46 276.47 215.16 o
0 18 1 995.99 868.83 191.87 o
2 18 1 370.34 439.55 360.68 o
4 18 1 1661.95 1984.15 239.57 o
6 18 1 974.48 961.77 201.13 o
-5 19 1 94.55 268.70 379.07 o
-3 19 1 420.25 82.37 534.02 o
-1 19 1 1266.00 599.35 429.10 o
1 19 1 1027.41 742.75 190.87 o
3 19 1 140.78 133.30 408.41 o
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