#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:33:17 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181867 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/97/2019785.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_2019785
_cell_angle_alpha                90.000
_cell_angle_beta                 94.727
_cell_angle_gamma                90.000
_cell_length_a                   14.2226
_cell_length_b                   19.0094
_cell_length_c                   7.5203
_exptl_crystal_F_000             1328.00
_reflns_d_resolution_high        0.7357
_cod_data_source_file            sk3575Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' exp_1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            517.64
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
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
4 0 0 2553.53 1646.66 161.04 o
6 0 0 71396.12 70906.54 1000.66 o
8 0 0 1051.53 956.41 162.22 o
10 0 0 42729.38 44314.62 873.61 o
12 0 0 7859.70 8656.23 288.51 o
14 0 0 12376.93 13053.87 518.53 o
16 0 0 189.78 172.83 67.21 o
18 0 0 818.96 578.81 209.50 o
3 1 0 10771.90 11052.68 357.81 o
5 1 0 142203.97 134600.03 1527.61 o
7 1 0 49355.63 49937.13 526.80 o
9 1 0 5404.13 5006.11 180.71 o
11 1 0 3773.51 3592.33 138.59 o
13 1 0 366.10 416.54 59.68 o
15 1 0 5461.28 5999.16 256.60 o
17 1 0 3288.20 3688.57 217.14 o
2 2 0 54752.09 54908.71 873.35 o
4 2 0 873.92 946.01 38.86 o
6 2 0 12093.79 11442.14 236.12 o
8 2 0 30087.58 28582.79 453.16 o
10 2 0 10765.72 10030.82 263.38 o
12 2 0 5188.50 5649.92 219.86 o
14 2 0 947.17 953.30 99.36 o
16 2 0 59.11 31.05 29.95 o
18 2 0 278.98 142.14 49.32 o
3 3 0 120550.23 123914.24 1116.51 o
5 3 0 23359.08 23434.05 363.57 o
7 3 0 6755.47 6922.88 156.30 o
9 3 0 371.13 298.92 50.85 o
11 3 0 3271.69 3166.69 127.50 o
13 3 0 507.80 445.15 65.44 o
15 3 0 480.73 406.03 68.52 o
17 3 0 429.76 465.48 101.50 o
19 3 0 22.26 -106.80 120.30 o
0 4 0 23484.09 24666.66 636.32 o
2 4 0 13752.64 13603.09 431.37 o
4 4 0 7580.29 8177.43 158.04 o
6 4 0 738.34 884.49 70.35 o
8 4 0 169.94 189.22 40.67 o
10 4 0 590.78 511.91 58.64 o
12 4 0 3636.65 3646.72 181.48 o
14 4 0 94.20 26.84 33.11 o
16 4 0 141.73 76.98 43.67 o
18 4 0 29.34 -23.24 59.82 o
1 5 0 5302.62 5396.05 146.82 o
3 5 0 119443.94 121969.66 1065.13 o
5 5 0 17863.59 19062.84 1026.66 o
7 5 0 20049.39 19339.55 602.34 o
9 5 0 664.04 593.98 70.42 o
11 5 0 821.44 650.89 82.81 o
13 5 0 1450.72 1404.26 117.79 o
15 5 0 1945.66 1986.95 188.56 o
17 5 0 1774.60 1932.22 198.56 o
0 6 0 105080.94 112788.11 1457.02 o
2 6 0 70222.47 66791.00 1504.12 o
4 6 0 6334.30 7517.55 288.93 o
6 6 0 3542.31 3541.68 303.83 o
8 6 0 20884.32 19808.68 503.88 o
10 6 0 17487.27 17117.29 492.82 o
12 6 0 8009.98 6935.65 510.48 o
14 6 0 1652.84 1643.12 167.50 o
16 6 0 34.91 -24.99 49.42 o
18 6 0 178.67 177.25 109.57 o
1 7 0 54377.71 57813.09 646.60 o
3 7 0 22626.14 21629.61 375.63 o
5 7 0 100237.73 99352.24 1473.75 o
7 7 0 8811.25 9136.72 502.45 o
9 7 0 14867.48 15649.92 471.32 o
11 7 0 292.79 327.04 74.36 o
13 7 0 2047.82 1903.75 680.12 o
15 7 0 7172.16 8230.71 407.23 o
17 7 0 2073.03 2571.76 236.31 o
0 8 0 121587.89 127764.25 3256.93 o
2 8 0 7268.48 7656.90 219.08 o
4 8 0 38264.03 40287.19 571.99 o
6 8 0 9269.76 10191.75 968.39 o
8 8 0 5527.99 5544.22 286.72 o
10 8 0 21478.66 22601.39 1133.44 o
12 8 0 4267.18 3914.90 441.90 o
14 8 0 3157.97 3025.37 244.00 o
16 8 0 3.21 -49.18 50.28 o
1 9 0 876.99 974.53 77.80 o
3 9 0 28096.57 29904.12 866.62 o
5 9 0 3877.73 4058.55 175.10 o
7 9 0 23028.77 25159.50 954.09 o
9 9 0 514.86 606.62 107.04 o
11 9 0 76.79 111.49 45.46 o
13 9 0 1347.99 1393.64 282.47 o
15 9 0 671.83 773.55 133.07 o
17 9 0 674.11 838.60 219.21 o
0 10 0 5985.12 6658.74 281.92 o
2 10 0 17537.00 18985.35 447.87 o
4 10 0 4848.44 4698.48 190.87 o
6 10 0 6791.28 7659.29 320.80 o
8 10 0 3413.20 3701.31 272.12 o
10 10 0 183.26 86.03 98.16 o
12 10 0 1616.81 2037.94 343.33 o
14 10 0 121.18 64.77 67.36 o
16 10 0 17.52 -50.43 58.97 o
1 11 0 4123.63 4601.34 230.02 o
3 11 0 5528.40 5967.44 268.81 o
5 11 0 6389.23 6813.80 243.71 o
7 11 0 155.47 247.93 69.83 o
9 11 0 2.38 47.82 57.57 o
11 11 0 14.25 -42.67 47.23 o
13 11 0 51.80 55.99 64.10 o
15 11 0 326.84 274.97 143.32 o
0 12 0 2421.67 2557.84 193.45 o
2 12 0 51427.82 58059.22 3052.09 o
4 12 0 5956.64 5984.54 276.26 o
6 12 0 1006.48 1043.59 101.12 o
8 12 0 11499.11 12278.67 419.38 o
10 12 0 837.95 827.91 147.81 o
12 12 0 5376.09 5199.25 579.32 o
14 12 0 109.44 -56.43 111.74 o
16 12 0 12.45 10.71 90.47 o
1 13 0 2391.97 2498.56 159.33 o
3 13 0 30569.81 32821.35 1008.53 o
5 13 0 8415.50 8766.24 302.06 o
7 13 0 27460.70 28946.88 827.51 o
9 13 0 233.27 130.27 54.43 o
11 13 0 7.22 -126.79 126.79 o
13 13 0 2773.75 2982.92 461.39 o
15 13 0 961.18 905.28 268.32 o
0 14 0 42311.52 48254.84 1150.09 o
2 14 0 10122.23 10973.49 490.47 o
4 14 0 6335.98 6977.12 246.00 o
6 14 0 3024.26 3065.43 206.84 o
8 14 0 3619.69 3747.85 234.95 o
10 14 0 7548.10 8426.15 493.26 o
12 14 0 3300.85 2751.85 449.84 o
14 14 0 1437.12 1708.41 366.25 o
1 15 0 18250.25 19282.07 637.84 o
3 15 0 400.67 384.02 67.05 o
5 15 0 23706.19 27687.95 680.50 o
7 15 0 1039.47 840.68 157.47 o
9 15 0 6664.97 7091.77 889.46 o
11 15 0 283.93 194.39 119.10 o
13 15 0 357.21 189.40 147.25 o
0 16 0 1965.57 2433.25 464.90 o
2 16 0 692.77 649.56 83.28 o
4 16 0 7135.87 7202.54 279.67 o
6 16 0 7.34 46.73 52.34 o
8 16 0 1402.60 1376.77 375.26 o
10 16 0 3337.61 3464.77 334.98 o
12 16 0 456.00 438.04 192.95 o
1 17 0 2790.42 3208.40 223.12 o
3 17 0 3074.67 3423.85 192.22 o
5 17 0 1723.01 1933.15 218.63 o
7 17 0 2411.40 2552.37 295.79 o
9 17 0 6.34 6.61 73.39 o
11 17 0 455.06 519.42 199.66 o
0 18 0 3507.30 4417.87 1062.03 o
2 18 0 75.94 30.47 36.07 o
4 18 0 2211.80 2252.58 194.96 o
6 18 0 1416.36 1515.66 195.33 o
8 18 0 76.90 64.33 51.40 o
10 18 0 926.24 971.92 281.54 o
1 19 0 19.52 55.61 56.06 o
3 19 0 7053.93 7667.82 551.08 o
5 19 0 889.77 916.28 187.48 o
7 19 0 1830.01 2411.22 326.46 o
9 19 0 73.14 67.27 154.19 o
0 20 0 62.87 32.19 60.42 o
2 20 0 12392.10 13591.90 748.58 o
4 20 0 76.32 -58.77 58.77 o
6 20 0 369.69 306.68 98.22 o
8 20 0 5024.33 6205.08 527.95 o
1 21 0 210.69 230.11 74.73 o
3 21 0 2342.68 2707.07 237.21 o
5 21 0 2375.43 2797.41 298.05 o
7 21 0 2806.97 3416.77 820.75 o
9 21 0 655.38 1184.72 326.82 o
0 22 0 5800.81 5668.71 455.70 o
2 22 0 17.99 -7.11 88.89 o
4 22 0 2587.24 3190.05 326.00 o
6 22 0 376.78 212.01 86.82 o
8 22 0 74.36 -18.08 70.48 o
1 23 0 654.98 557.25 96.65 o
3 23 0 56.40 -20.29 81.33 o
5 23 0 1378.21 1216.06 318.74 o
7 23 0 229.59 104.44 109.28 o
0 24 0 43.14 -55.75 78.71 o
2 24 0 403.89 149.47 132.31 o
1 25 0 1112.36 823.43 248.32 o
-19 1 1 252.45 305.64 101.42 o
-17 1 1 1000.69 914.04 110.07 o
-15 1 1 320.82 225.27 53.51 o
-13 1 1 534.97 567.64 82.90 o
-11 1 1 6486.26 6676.49 186.34 o
-9 1 1 677.57 607.30 41.35 o
-7 1 1 26528.35 22307.64 1415.36 o
-5 1 1 1292.35 1155.39 57.60 o
-3 1 1 72086.06 71697.09 577.13 o
3 1 1 125722.55 130565.80 4139.05 o
5 1 1 282.04 304.06 66.70 o
7 1 1 10521.44 10829.35 408.60 o
9 1 1 1147.17 1247.59 105.99 o
11 1 1 131.67 54.62 38.09 o
13 1 1 4995.27 5376.69 220.83 o
15 1 1 887.21 833.09 96.33 o
17 1 1 210.50 134.65 73.23 o
-18 2 1 0.09 -14.62 37.92 o
-16 2 1 793.11 825.83 99.17 o
-14 2 1 4145.49 4530.37 218.55 o
-12 2 1 16380.21 17583.17 422.16 o
-10 2 1 10375.73 10099.57 314.42 o
-8 2 1 3424.62 3217.48 89.15 o
-6 2 1 30694.85 29902.37 527.56 o
-4 2 1 58691.72 57531.76 855.21 o
-2 2 1 78291.84 84298.55 1008.27 o
2 2 1 48072.53 48573.48 2897.22 o
4 2 1 774.87 853.77 54.25 o
6 2 1 16116.19 15874.24 320.39 o
8 2 1 54201.43 52939.34 808.03 o
10 2 1 14136.77 14058.84 349.04 o
12 2 1 2499.88 2359.31 121.20 o
14 2 1 38.99 27.77 25.42 o
16 2 1 545.79 537.35 101.02 o
-19 3 1 1564.41 1981.74 335.32 o
-17 3 1 2144.64 2281.92 175.14 o
-15 3 1 3944.88 4299.18 220.94 o
-13 3 1 219.33 148.45 36.25 o
-11 3 1 2634.10 2821.52 151.34 o
-9 3 1 64863.09 66404.27 947.88 o
-7 3 1 39382.63 38598.28 774.09 o
-5 3 1 70260.87 65011.09 2625.48 o
-3 3 1 4973.42 5059.90 113.57 o
-1 3 1 685.26 779.29 63.61 o
1 3 1 107571.53 96391.01 4984.47 o
3 3 1 32502.70 31049.58 1640.21 o
5 3 1 88453.01 87675.44 901.51 o
7 3 1 9318.04 8713.72 415.30 o
9 3 1 3293.38 3393.67 143.24 o
11 3 1 14357.08 14096.43 329.26 o
13 3 1 13742.46 14424.21 434.26 o
15 3 1 5952.09 6723.51 353.68 o
17 3 1 565.28 673.07 118.34 o
-18 4 1 14.62 29.92 44.10 o
-16 4 1 959.69 1104.81 124.52 o
-14 4 1 12234.43 13006.55 477.18 o
-12 4 1 9794.10 10115.26 310.04 o
-10 4 1 24052.77 25485.06 437.68 o
-8 4 1 2944.76 3502.83 191.77 o
-6 4 1 1101.31 1110.06 66.66 o
-4 4 1 186466.42 164127.67 3739.58 o
-2 4 1 21086.56 23000.59 1559.75 o
0 4 1 192543.45 172641.89 1956.95 o
2 4 1 1588.22 1558.59 102.08 o
4 4 1 14273.81 14891.15 372.23 o
6 4 1 75400.92 75215.52 1090.52 o
8 4 1 16838.28 15424.03 422.36 o
10 4 1 37828.04 37298.01 599.10 o
12 4 1 2452.73 2440.32 155.91 o
14 4 1 146.39 149.31 57.85 o
16 4 1 1613.67 1687.80 181.64 o
18 4 1 1357.81 1623.95 283.96 o
-17 5 1 1430.59 1620.13 179.77 o
-15 5 1 1054.87 940.49 105.66 o
-13 5 1 233.82 187.37 44.46 o
-11 5 1 4806.87 4816.07 231.29 o
-9 5 1 18269.41 18835.61 486.14 o
-7 5 1 34240.90 33865.71 1536.43 o
-5 5 1 9546.62 9499.95 282.44 o
-3 5 1 7897.15 8324.93 278.17 o
-1 5 1 5026.87 5371.56 287.33 o
1 5 1 12477.74 13263.46 310.67 o
3 5 1 95735.66 95728.09 1147.88 o
5 5 1 37116.16 36270.10 1109.22 o
7 5 1 6928.76 7033.79 281.16 o
9 5 1 1067.08 973.05 63.03 o
11 5 1 3100.99 2772.25 142.16 o
13 5 1 4948.57 4628.58 649.85 o
15 5 1 2564.19 2895.14 231.77 o
17 5 1 1090.29 1167.58 155.47 o
-18 6 1 4.87 36.88 98.70 o
-16 6 1 683.74 451.18 97.90 o
-14 6 1 486.99 251.27 94.91 o
-12 6 1 4931.29 5172.39 323.95 o
-10 6 1 34.32 68.26 38.07 o
-8 6 1 5651.43 5232.71 255.21 o
-6 6 1 15043.93 15356.55 287.63 o
-4 6 1 124.70 83.07 34.14 o
-2 6 1 84553.71 80934.60 1237.23 o
0 6 1 2620.15 2953.49 97.70 o
2 6 1 19090.60 17692.91 364.18 o
4 6 1 16893.30 16219.02 300.14 o
6 6 1 2328.55 2523.59 171.11 o
8 6 1 11414.08 10555.32 375.90 o
10 6 1 2097.49 1764.79 250.56 o
12 6 1 3466.27 3649.07 216.13 o
14 6 1 96.37 18.94 68.50 o
16 6 1 126.21 110.00 55.64 o
18 6 1 173.79 115.75 88.29 o
-17 7 1 7.27 15.35 47.94 o
-15 7 1 205.22 191.25 67.23 o
-13 7 1 68.79 -56.32 56.32 o
-11 7 1 434.81 337.23 75.35 o
-9 7 1 3512.77 3669.38 235.33 o
-7 7 1 1449.07 1467.52 119.64 o
-5 7 1 2067.17 2048.02 143.77 o
-3 7 1 7140.86 6757.18 151.05 o
-1 7 1 14935.09 15081.44 710.98 o
1 7 1 8341.93 8658.54 184.29 o
3 7 1 3246.72 3183.30 180.68 o
5 7 1 4541.95 4282.24 141.12 o
7 7 1 1433.22 1470.06 142.09 o
9 7 1 641.03 534.34 89.26 o
11 7 1 780.58 855.42 119.54 o
13 7 1 54.67 181.40 99.75 o
15 7 1 6.23 -32.58 36.64 o
17 7 1 57.32 -52.37 242.44 o
-18 8 1 125.73 87.92 84.65 o
-16 8 1 272.57 63.34 56.40 o
-14 8 1 645.56 392.79 184.28 o
-12 8 1 6533.30 6537.46 387.47 o
-10 8 1 301.03 273.24 75.19 o
-8 8 1 7578.44 8077.15 594.65 o
-6 8 1 13634.14 14666.92 411.48 o
-4 8 1 3665.28 3760.17 121.40 o
-2 8 1 56671.95 68151.65 5734.57 o
0 8 1 12084.85 14012.93 788.24 o
2 8 1 15031.37 16081.58 310.06 o
4 8 1 1886.29 1873.28 126.49 o
6 8 1 1060.96 1100.50 77.47 o
8 8 1 20814.98 19098.03 558.76 o
10 8 1 3036.45 3051.55 275.24 o
12 8 1 2089.47 2173.12 198.43 o
14 8 1 708.94 411.95 201.30 o
16 8 1 327.38 359.86 80.38 o
-17 9 1 1313.56 1233.01 216.32 o
-15 9 1 760.80 648.84 123.26 o
-13 9 1 2684.49 2645.07 258.11 o
-11 9 1 7131.90 6671.61 565.55 o
-9 9 1 7602.15 8786.94 1055.18 o
-7 9 1 55858.34 60153.05 968.36 o
-5 9 1 210.86 261.29 42.23 o
-3 9 1 20297.32 22011.42 791.56 o
-1 9 1 29941.28 29769.73 892.47 o
1 9 1 1908.84 2505.12 117.43 o
3 9 1 104177.44 100919.93 1222.35 o
5 9 1 6812.62 6831.93 188.50 o
7 9 1 16085.36 15109.77 496.28 o
9 9 1 3449.77 3203.00 253.96 o
11 9 1 994.37 1089.78 185.73 o
13 9 1 7817.16 7806.31 681.98 o
15 9 1 1406.37 1620.81 359.04 o
17 9 1 645.43 679.94 203.76 o
-16 10 1 933.00 858.46 141.29 o
-14 10 1 4301.40 4651.43 362.28 o
-12 10 1 11188.96 10891.24 781.55 o
-10 10 1 5036.36 6003.83 773.33 o
-8 10 1 481.27 546.39 87.92 o
-6 10 1 3199.80 3262.83 159.79 o
-4 10 1 29124.41 32642.80 1199.68 o
-2 10 1 55506.55 56019.26 2047.26 o
0 10 1 27013.90 28172.09 540.13 o
2 10 1 10377.28 11443.74 280.95 o
4 10 1 1458.78 1644.58 131.66 o
6 10 1 15809.62 16743.71 471.69 o
8 10 1 19757.57 19907.29 612.29 o
10 10 1 11827.02 11788.84 476.34 o
12 10 1 3718.24 3716.09 455.62 o
14 10 1 71.52 11.44 63.80 o
16 10 1 655.59 597.16 163.63 o
-17 11 1 1212.73 1627.43 383.15 o
-15 11 1 1719.93 1770.15 207.97 o
-13 11 1 127.10 92.47 152.10 o
-11 11 1 1519.77 1266.17 273.33 o
-9 11 1 19752.12 22194.22 975.32 o
-7 11 1 5544.75 6119.61 230.70 o
-5 11 1 57976.08 65638.74 1420.13 o
-3 11 1 1838.67 1881.49 108.14 o
-1 11 1 8.23 56.57 33.31 o
1 11 1 53263.16 54070.91 1826.53 o
3 11 1 7688.58 8130.76 309.54 o
5 11 1 48576.73 49314.57 938.91 o
7 11 1 423.82 202.46 64.32 o
9 11 1 1433.02 1265.89 163.34 o
11 11 1 5107.85 5119.91 334.68 o
13 11 1 4845.14 4851.69 553.58 o
15 11 1 2927.93 2936.29 354.81 o
-16 12 1 167.20 57.69 121.83 o
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-12 12 1 3674.68 4103.02 519.16 o
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-8 12 1 1658.52 1749.35 131.78 o
-6 12 1 107.74 171.63 40.07 o
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0 12 1 30389.94 28149.64 1462.54 o
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8 12 1 1801.01 1907.22 169.06 o
10 12 1 6766.34 7879.35 441.59 o
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14 12 1 108.33 176.59 108.24 o
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-7 13 1 2461.17 2769.48 221.20 o
-5 13 1 2406.54 2577.79 155.90 o
-3 13 1 6930.24 7536.50 239.16 o
-1 13 1 12717.28 13092.20 428.86 o
1 13 1 7.83 52.09 37.36 o
3 13 1 11555.08 11999.10 352.19 o
5 13 1 339.48 316.62 66.60 o
7 13 1 957.63 1116.68 127.24 o
9 13 1 28.91 -6.29 33.82 o
11 13 1 4.78 17.20 90.85 o
13 13 1 613.13 454.13 219.32 o
-14 14 1 21.74 62.73 63.12 o
-12 14 1 10.84 -23.73 88.78 o
-10 14 1 1900.81 2316.42 372.20 o
-8 14 1 16.98 -10.94 44.74 o
-6 14 1 15.28 -18.41 44.78 o
-4 14 1 3597.01 3940.45 221.85 o
-2 14 1 4365.56 4850.16 465.89 o
0 14 1 2129.27 2295.74 149.00 o
2 14 1 2879.05 2712.46 163.03 o
4 14 1 3688.93 3696.83 233.18 o
6 14 1 328.97 287.08 72.77 o
8 14 1 533.69 406.46 89.04 o
10 14 1 350.92 382.02 87.24 o
12 14 1 361.73 353.33 181.13 o
14 14 1 16.32 12.64 111.86 o
-13 15 1 6.15 35.36 82.26 o
-11 15 1 335.73 297.36 161.86 o
-9 15 1 369.28 290.01 106.57 o
-7 15 1 5140.49 6008.74 347.78 o
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-3 15 1 3406.55 3188.25 217.80 o
-1 15 1 1726.67 1762.43 153.77 o
1 15 1 3889.34 4201.65 210.24 o
3 15 1 4836.31 5239.95 230.77 o
5 15 1 161.53 248.15 66.92 o
7 15 1 2899.67 2661.63 207.51 o
9 15 1 191.28 102.99 67.57 o
11 15 1 706.71 728.61 150.88 o
13 15 1 1108.85 1134.15 304.63 o
-12 16 1 4606.32 4358.22 570.19 o
-10 16 1 810.10 664.20 224.02 o
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