#------------------------------------------------------------------------------
#$Date: 2016-04-06 19:38:30 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181911 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/10/2241065.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_2241065
_cell_angle_alpha                90.000
_cell_angle_beta                 95.287
_cell_angle_gamma                90.000
_cell_length_a                   27.0752
_cell_length_b                   3.9284
_cell_length_c                   26.3590
_exptl_crystal_F_000             1296.00
_reflns_d_resolution_high        0.7830
_cod_data_source_file            hb7492Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title
' DICLNAP_0m in C2/c YELLOW NEEDLE MELTING POINT 375 K'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            292.04
_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 2991.60 2762.00 104.20 o
6 0 0 2829.36 2912.20 47.58 o
8 0 0 12380.13 11644.81 157.05 o
10 0 0 23145.34 23455.76 303.12 o
12 0 0 1037.20 1179.83 33.14 o
14 0 0 279.03 190.75 18.67 o
16 0 0 2822.09 2917.49 63.99 o
18 0 0 71.28 64.59 19.72 o
20 0 0 553.45 635.18 39.82 o
22 0 0 131.03 5.42 42.68 o
24 0 0 11.74 80.22 94.99 o
26 0 0 97.31 128.76 66.54 o
28 0 0 167.49 303.93 169.16 o
30 0 0 820.93 464.11 159.62 o
32 0 0 290.84 134.46 137.93 o
34 0 0 236.51 229.89 151.81 o
1 1 0 1818.95 1827.08 27.36 o
3 1 0 39113.66 38932.73 392.25 o
5 1 0 14076.64 13619.69 154.52 o
7 1 0 1155.37 1187.28 21.57 o
9 1 0 133.20 140.29 14.25 o
11 1 0 2812.92 3014.33 51.11 o
13 1 0 1285.49 1167.60 32.97 o
15 1 0 205.30 260.26 19.57 o
17 1 0 605.15 677.68 31.70 o
19 1 0 1558.51 1609.90 52.85 o
21 1 0 70.40 2.91 35.66 o
23 1 0 0.48 -28.15 19.61 o
25 1 0 8.04 23.42 24.39 o
27 1 0 20.11 65.01 56.90 o
29 1 0 97.08 175.07 47.99 o
31 1 0 46.19 206.95 58.59 o
33 1 0 58.92 60.45 109.78 o
0 2 0 2980.20 2907.29 97.33 o
2 2 0 4.85 -0.41 9.64 o
4 2 0 7754.50 7621.72 121.66 o
6 2 0 933.58 905.92 28.52 o
8 2 0 123.56 107.93 13.01 o
10 2 0 121.83 108.86 15.07 o
12 2 0 372.23 363.01 24.62 o
14 2 0 258.67 268.18 25.15 o
16 2 0 66.86 32.45 20.80 o
18 2 0 60.09 27.23 26.78 o
20 2 0 509.09 532.34 55.72 o
22 2 0 24.62 -4.04 32.96 o
24 2 0 76.72 75.31 50.10 o
26 2 0 2.70 28.83 53.38 o
28 2 0 22.34 70.41 57.81 o
30 2 0 78.34 49.76 57.62 o
1 3 0 3043.28 3161.94 131.23 o
3 3 0 2649.84 2469.94 114.98 o
5 3 0 2610.97 2441.12 82.81 o
7 3 0 307.94 251.38 68.66 o
9 3 0 128.00 138.70 62.70 o
11 3 0 23.58 -1.84 23.00 o
13 3 0 101.39 150.98 36.01 o
15 3 0 1490.06 1481.94 96.57 o
17 3 0 347.48 360.98 58.85 o
19 3 0 146.17 162.43 53.72 o
21 3 0 537.93 500.47 75.64 o
23 3 0 11.96 38.25 53.75 o
25 3 0 115.45 41.62 54.53 o
27 3 0 43.29 49.96 58.04 o
0 4 0 110.11 97.16 65.06 o
2 4 0 144.02 205.77 57.04 o
4 4 0 576.92 503.85 76.35 o
6 4 0 408.23 382.62 132.29 o
8 4 0 155.76 110.53 51.50 o
10 4 0 464.72 331.38 106.70 o
12 4 0 23.97 -45.11 63.33 o
14 4 0 49.60 91.09 78.94 o
16 4 0 125.60 136.40 71.70 o
18 4 0 2.07 44.93 64.55 o
20 4 0 205.86 138.01 78.85 o
1 5 0 43.81 49.34 63.54 o
-33 1 1 15.43 -11.00 108.81 o
-31 1 1 319.89 441.85 94.13 o
-29 1 1 367.68 532.71 109.82 o
-27 1 1 162.13 178.40 54.86 o
-25 1 1 605.69 551.59 50.68 o
-23 1 1 1342.72 1317.41 55.96 o
-21 1 1 880.10 790.16 41.51 o
-19 1 1 1246.12 1326.59 44.18 o
-17 1 1 1500.61 1535.00 57.30 o
-15 1 1 952.83 1045.12 34.09 o
-13 1 1 246.35 216.90 16.97 o
-11 1 1 1148.36 992.86 27.88 o
-9 1 1 1110.16 1120.94 30.23 o
-7 1 1 309.17 246.85 12.04 o
-5 1 1 4321.56 3954.11 54.21 o
-3 1 1 111.77 88.12 9.47 o
-1 1 1 65.62 79.04 10.63 o
1 1 1 10826.49 10744.56 107.86 o
3 1 1 85285.08 84473.50 882.81 o
5 1 1 44445.17 44323.75 472.05 o
7 1 1 6684.12 6816.73 81.07 o
9 1 1 11238.44 10761.47 128.65 o
11 1 1 9178.34 8795.50 114.63 o
13 1 1 22805.11 22498.03 250.33 o
15 1 1 413.57 345.29 22.63 o
17 1 1 1984.80 2076.63 54.31 o
19 1 1 590.00 661.91 38.25 o
21 1 1 141.77 122.55 24.12 o
23 1 1 29.79 6.55 21.56 o
25 1 1 6.79 -5.54 22.03 o
27 1 1 152.93 230.92 45.33 o
29 1 1 132.65 215.86 84.48 o
31 1 1 43.57 284.82 111.71 o
33 1 1 1.01 99.73 109.55 o
-30 2 1 80.43 60.63 65.29 o
-28 2 1 206.96 146.03 61.83 o
-26 2 1 462.75 482.35 175.67 o
-24 2 1 554.29 492.56 103.42 o
-22 2 1 103.98 46.87 35.13 o
-20 2 1 26.41 1.07 27.51 o
-18 2 1 863.70 859.09 66.47 o
-16 2 1 300.76 267.83 27.35 o
-14 2 1 54.01 22.12 16.50 o
-12 2 1 36.35 13.51 19.47 o
-10 2 1 1283.91 1197.77 54.16 o
-8 2 1 2.86 2.47 12.97 o
-6 2 1 1410.68 1316.63 49.43 o
-4 2 1 178.33 141.42 19.82 o
-2 2 1 3519.26 3518.09 80.12 o
0 2 1 3.10 -3.85 15.39 o
2 2 1 33.13 34.58 9.74 o
4 2 1 7040.76 7126.17 96.31 o
6 2 1 46.38 26.19 12.31 o
8 2 1 2729.49 2727.31 52.10 o
10 2 1 6301.49 6085.40 97.31 o
12 2 1 5943.91 5778.03 84.29 o
14 2 1 3054.54 2956.25 66.76 o
16 2 1 2363.89 2246.41 65.85 o
18 2 1 784.01 824.71 60.00 o
20 2 1 41.64 12.50 32.60 o
22 2 1 111.53 74.45 39.05 o
24 2 1 253.46 291.43 53.99 o
26 2 1 102.48 12.36 48.36 o
28 2 1 44.72 62.00 54.49 o
30 2 1 5.27 -9.85 58.07 o
-27 3 1 18.91 49.99 76.14 o
-25 3 1 0.01 51.43 57.16 o
-23 3 1 31.70 33.11 77.73 o
-21 3 1 44.67 -14.75 42.84 o
-19 3 1 150.96 154.62 52.62 o
-17 3 1 141.07 196.47 52.93 o
-15 3 1 33.05 15.21 31.70 o
-13 3 1 3.30 -15.37 26.25 o
-11 3 1 226.94 204.91 28.30 o
-9 3 1 43.79 49.23 27.99 o
-7 3 1 22.47 13.80 23.77 o
-5 3 1 54.55 76.87 30.87 o
-3 3 1 3.89 -11.31 23.87 o
-1 3 1 14.93 26.81 23.88 o
1 3 1 263.28 169.85 44.22 o
3 3 1 210.77 273.57 51.35 o
5 3 1 30.32 29.35 25.25 o
7 3 1 7.05 -21.94 20.45 o
9 3 1 2.69 9.94 24.39 o
11 3 1 75.10 57.09 28.88 o
13 3 1 587.95 664.28 56.34 o
15 3 1 16.71 31.22 43.13 o
17 3 1 257.33 203.73 52.48 o
19 3 1 201.48 161.94 52.52 o
21 3 1 0.16 -0.57 46.06 o
23 3 1 307.21 253.54 65.53 o
25 3 1 86.57 134.23 64.08 o
27 3 1 0.72 -14.86 57.84 o
-20 4 1 2.81 30.76 71.09 o
-18 4 1 115.09 40.74 61.59 o
-16 4 1 24.16 69.36 61.37 o
-14 4 1 0.03 13.88 81.54 o
-12 4 1 7.07 -43.37 58.12 o
-10 4 1 0.01 -26.28 43.71 o
-8 4 1 97.50 46.07 122.32 o
-6 4 1 66.73 34.04 44.16 o
-4 4 1 158.98 242.58 61.30 o
-2 4 1 70.62 34.71 46.85 o
0 4 1 62.76 38.44 44.05 o
2 4 1 2.41 -33.44 40.76 o
4 4 1 118.60 37.63 48.27 o
6 4 1 572.15 815.31 88.68 o
8 4 1 21.56 91.09 51.70 o
10 4 1 3.95 -61.59 63.33 o
12 4 1 725.67 940.36 155.28 o
14 4 1 37.34 106.70 79.81 o
16 4 1 74.96 98.13 62.99 o
18 4 1 224.28 278.36 81.68 o
20 4 1 4.02 -20.51 66.59 o
-1 5 1 5.53 22.77 59.52 o
1 5 1 1.92 49.83 60.69 o
-34 0 2 293.27 635.87 198.66 o
-32 0 2 754.28 539.58 193.45 o
-30 0 2 18.68 12.14 107.57 o
-28 0 2 929.54 1108.63 117.70 o
-26 0 2 41.42 138.27 81.11 o
-24 0 2 215.89 320.60 132.73 o
-22 0 2 1425.91 1563.14 93.42 o
-20 0 2 1447.86 1562.72 71.27 o
-18 0 2 1474.15 1328.77 72.89 o
-16 0 2 2290.20 2255.72 67.99 o
-14 0 2 78208.16 82508.09 1293.42 o
-12 0 2 2647.68 2782.90 68.65 o
-10 0 2 230.91 342.83 31.80 o
-8 0 2 4.02 2.89 12.75 o
-6 0 2 3121.07 3410.67 57.06 o
-4 0 2 42840.93 39749.00 1426.87 o
2 0 2 7.02 -6.31 4.21 o
4 0 2 77011.81 73701.91 1794.98 o
6 0 2 5687.64 5754.42 112.29 o
8 0 2 21064.95 20141.89 314.26 o
10 0 2 8234.80 8137.69 145.91 o
12 0 2 89.69 159.72 26.27 o
14 0 2 3286.17 3314.54 78.70 o
16 0 2 11.22 34.93 16.63 o
18 0 2 5264.61 5439.09 119.71 o
20 0 2 2925.08 2727.07 80.20 o
22 0 2 6952.44 6881.93 162.49 o
24 0 2 2543.26 2673.57 250.08 o
26 0 2 144.38 358.25 87.12 o
28 0 2 53.66 292.21 141.83 o
30 0 2 361.55 292.34 141.40 o
32 0 2 25.35 45.11 147.47 o
34 0 2 46.91 109.30 144.00 o
-33 1 2 1.40 9.59 103.58 o
-31 1 2 261.54 494.96 79.45 o
-29 1 2 317.05 337.66 59.14 o
-27 1 2 15.12 48.51 29.64 o
-25 1 2 8.14 50.81 35.60 o
-23 1 2 115.22 145.84 24.94 o
-21 1 2 169.51 95.46 37.30 o
-19 1 2 1388.51 1392.28 43.07 o
-17 1 2 2210.00 2136.47 52.57 o
-15 1 2 811.15 774.43 29.79 o
-13 1 2 361.09 327.71 23.31 o
-11 1 2 7974.32 8253.10 102.61 o
-9 1 2 2506.93 2593.65 44.65 o
-7 1 2 1427.56 1510.13 25.83 o
-5 1 2 312.87 329.05 15.78 o
-3 1 2 17391.10 16900.26 197.08 o
-1 1 2 5288.35 5500.72 70.20 o
1 1 2 29178.27 28208.29 271.55 o
3 1 2 59913.85 59930.01 671.50 o
5 1 2 19034.04 19240.99 244.55 o
7 1 2 1364.16 1465.46 29.65 o
9 1 2 3231.91 3413.48 57.53 o
11 1 2 392.84 357.07 18.06 o
13 1 2 3327.41 3316.99 64.88 o
15 1 2 6.77 21.79 12.91 o
17 1 2 2015.23 1945.73 54.76 o
19 1 2 777.23 727.92 37.17 o
21 1 2 285.64 245.60 27.44 o
23 1 2 550.93 554.39 41.72 o
25 1 2 562.84 565.43 43.62 o
27 1 2 190.51 244.67 54.56 o
29 1 2 49.12 134.06 54.09 o
31 1 2 31.13 51.84 82.19 o
33 1 2 1.49 -1.30 78.54 o
-30 2 2 8.72 30.36 133.59 o
-28 2 2 33.48 -12.46 51.32 o
-26 2 2 2.71 -49.53 46.66 o
-24 2 2 0.33 -15.83 43.45 o
-22 2 2 2.58 66.40 32.27 o
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-18 2 2 1187.40 1211.47 66.89 o
-16 2 2 574.70 516.10 34.37 o
-14 2 2 506.91 490.89 30.27 o
-12 2 2 1.66 -10.73 12.02 o
-10 2 2 2111.84 2158.46 49.48 o
-8 2 2 0.68 -9.49 12.40 o
-6 2 2 2588.40 2632.16 55.97 o
-4 2 2 13.73 -20.61 13.74 o
-2 2 2 18.29 17.16 13.42 o
0 2 2 734.01 732.22 37.44 o
2 2 2 916.33 917.93 40.74 o
4 2 2 3310.17 3388.27 54.83 o
6 2 2 9843.69 10129.48 142.93 o
8 2 2 4112.56 4213.60 93.67 o
10 2 2 295.04 336.19 25.09 o
12 2 2 0.00 -16.96 12.77 o
14 2 2 99.83 88.13 15.38 o
16 2 2 201.88 151.63 25.72 o
18 2 2 2867.72 2950.51 85.78 o
20 2 2 620.53 665.57 55.88 o
22 2 2 58.01 15.06 32.29 o
24 2 2 79.90 120.80 53.65 o
26 2 2 6.66 32.32 51.06 o
28 2 2 91.50 206.14 61.75 o
30 2 2 0.06 68.98 66.35 o
-27 3 2 27.23 33.17 57.00 o
-25 3 2 22.16 -16.79 55.52 o
-23 3 2 41.08 132.14 57.55 o
-21 3 2 163.34 160.88 101.30 o
-19 3 2 1686.27 1657.78 99.28 o
-17 3 2 1880.46 1974.56 102.58 o
-15 3 2 911.06 1048.04 72.13 o
-13 3 2 730.29 776.39 48.84 o
-11 3 2 153.84 211.05 29.60 o
-9 3 2 25.67 -3.03 24.74 o
-7 3 2 38.41 -14.80 22.20 o
-5 3 2 67.82 32.24 40.93 o
-3 3 2 294.68 261.36 36.38 o
-1 3 2 35.16 23.36 21.82 o
1 3 2 114.15 132.36 36.72 o
3 3 2 35.89 8.38 38.10 o
5 3 2 707.38 768.21 45.04 o
7 3 2 4959.13 4712.19 102.63 o
9 3 2 226.70 227.27 28.89 o
11 3 2 71.67 32.21 30.05 o
13 3 2 427.42 525.47 52.10 o
15 3 2 79.09 71.70 45.41 o
17 3 2 1524.84 1665.77 108.60 o
19 3 2 351.35 389.07 65.53 o
21 3 2 233.90 259.69 64.08 o
23 3 2 352.27 316.02 69.83 o
25 3 2 131.10 127.43 60.87 o
27 3 2 6.00 102.25 68.16 o
-20 4 2 298.68 204.24 100.63 o
-18 4 2 387.03 417.20 89.85 o
-16 4 2 45.78 75.64 59.36 o
-14 4 2 25.90 -3.47 73.74 o
-12 4 2 52.02 52.05 72.87 o
-10 4 2 3.06 11.34 47.66 o
-8 4 2 58.09 54.11 55.09 o
-6 4 2 55.61 91.24 48.43 o
-4 4 2 17.30 29.99 75.47 o
-2 4 2 81.19 47.48 47.74 o
0 4 2 3.12 42.11 44.24 o
2 4 2 0.08 -32.99 63.33 o
4 4 2 2.37 17.74 42.31 o
6 4 2 854.33 995.79 95.04 o
8 4 2 76.56 17.35 67.66 o
10 4 2 15.49 -19.08 66.80 o
12 4 2 445.93 296.68 108.44 o
14 4 2 213.61 274.13 93.69 o
16 4 2 280.52 218.61 104.10 o
18 4 2 302.59 253.15 80.62 o
20 4 2 0.10 3.73 64.63 o
-1 5 2 5.59 48.85 60.43 o
1 5 2 0.56 42.51 77.21 o
-33 1 3 0.08 -42.39 104.14 o
-31 1 3 631.94 708.61 135.18 o
-29 1 3 3.77 54.69 76.07 o
-27 1 3 378.50 480.66 59.33 o
-25 1 3 326.34 376.46 51.09 o
-23 1 3 1363.47 1469.89 62.63 o
-21 1 3 933.07 921.24 42.65 o
-19 1 3 1451.68 1381.18 56.22 o
-17 1 3 552.91 467.53 28.37 o
-15 1 3 160.25 133.14 15.56 o
-13 1 3 1179.17 1182.47 31.59 o
-11 1 3 3096.71 3475.96 53.27 o
-9 1 3 13799.36 13475.96 155.11 o
-7 1 3 5205.09 5330.80 63.84 o
-5 1 3 12818.89 12433.61 164.04 o
-3 1 3 29867.59 29094.83 385.69 o
-1 1 3 61353.60 60550.95 716.17 o
1 1 3 2708.58 3042.64 48.91 o
3 1 3 196.65 163.15 12.15 o
5 1 3 6737.27 7011.67 90.41 o
7 1 3 11801.18 11775.82 137.68 o
9 1 3 2.34 2.61 8.98 o
11 1 3 48.62 43.46 8.75 o
13 1 3 5743.86 5755.23 89.75 o
15 1 3 509.98 603.35 30.36 o
17 1 3 475.20 440.15 27.03 o
19 1 3 137.32 92.61 20.27 o
21 1 3 592.91 591.34 36.90 o
23 1 3 24.24 60.51 24.66 o
25 1 3 63.20 64.13 25.97 o
27 1 3 500.95 554.35 45.29 o
29 1 3 733.12 818.73 73.92 o
31 1 3 252.45 181.27 79.24 o
33 1 3 281.90 317.38 140.03 o
-30 2 3 294.62 236.83 161.35 o
-28 2 3 197.12 85.01 117.98 o
-26 2 3 96.08 51.25 55.01 o
-24 2 3 536.68 528.75 73.78 o
-22 2 3 379.60 483.06 51.05 o
-20 2 3 320.91 353.08 60.12 o
-18 2 3 695.26 661.90 62.98 o
-16 2 3 1360.89 1450.33 91.83 o
-14 2 3 3.98 -11.23 12.89 o
-12 2 3 11.83 -9.09 13.64 o
-10 2 3 2089.01 2086.90 61.28 o
-8 2 3 1893.94 1745.21 54.68 o
-6 2 3 10979.90 10566.53 160.20 o
-4 2 3 4709.75 4855.04 92.52 o
-2 2 3 4319.14 4083.84 81.74 o
0 2 3 5739.68 5674.89 83.75 o
2 2 3 5814.15 5928.16 81.18 o
4 2 3 1189.46 1179.58 31.22 o
6 2 3 1436.93 1459.44 47.83 o
8 2 3 5409.04 5661.02 116.20 o
10 2 3 1721.07 1813.65 61.17 o
12 2 3 317.41 341.82 24.54 o
14 2 3 731.47 724.69 42.33 o
16 2 3 3318.00 3188.12 76.40 o
18 2 3 15.24 10.50 33.23 o
20 2 3 2075.72 2165.60 93.68 o
22 2 3 18.82 32.49 34.11 o
24 2 3 223.94 132.41 50.34 o
26 2 3 40.62 47.73 50.82 o
28 2 3 59.65 -7.85 51.71 o
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-27 3 3 3.74 17.62 54.12 o
-25 3 3 43.96 -36.96 50.66 o
-23 3 3 5.93 -24.98 49.03 o
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11 3 3 2310.79 2221.99 88.42 o
13 3 3 7.76 71.42 34.13 o
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19 3 3 352.37 244.31 61.67 o
21 3 3 118.48 99.91 55.49 o
23 3 3 0.29 27.40 76.35 o
25 3 3 121.85 152.42 86.76 o
27 3 3 202.59 162.01 74.15 o
-20 4 3 13.88 12.88 65.64 o
-18 4 3 32.67 28.05 62.91 o
-16 4 3 17.85 7.47 57.80 o
-14 4 3 51.35 -51.18 70.27 o
-12 4 3 5.95 54.65 67.66 o
-10 4 3 23.78 3.53 47.04 o
-8 4 3 784.08 653.93 84.32 o
-6 4 3 265.48 246.57 60.64 o
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0 4 3 7.17 28.20 44.77 o
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6 4 3 1.16 21.69 65.06 o
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10 4 3 61.36 95.42 78.94 o
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16 4 3 23.07 98.03 91.09 o
18 4 3 371.18 265.84 84.47 o
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-32 0 4 325.67 76.34 139.67 o
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-28 0 4 968.90 1059.74 176.53 o
-26 0 4 1153.69 1019.58 134.89 o
-24 0 4 194.34 57.92 59.04 o
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-12 0 4 11105.60 10589.00 185.97 o
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-9 1 32 60.72 192.80 126.72 o
-7 1 32 0.29 122.81 123.35 o
-5 1 32 23.28 58.32 218.17 o
-3 1 32 78.60 74.55 163.52 o
-1 1 32 144.02 78.29 215.57 o
1 1 32 2.36 38.58 114.63 o
3 1 32 80.85 32.48 112.79 o
5 1 32 83.14 41.71 170.03 o