#------------------------------------------------------------------------------
#$Date: 2021-09-22 04:47:00 +0300 (Wed, 22 Sep 2021) $
#$Revision: 269240 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/88/2108881.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_2108881
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   5.1690
_cell_length_b                   7.3430
_cell_length_c                   18.8317
_exptl_crystal_F_000             183.64
_reflns_d_resolution_high        0.6529
_cod_data_source_file            um5050HOTN02sup7.hkl
_cod_data_source_block           HOTN02
_shelx_title                     ' cmm190030_5k_0m_a.res in P2(1)2(1)2(1)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            92.52
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'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 1 0 109.19 98.37 15.01 o
3 1 0 1132.08 1156.22 36.68 o
4 1 0 24.04 3.33 25.01 o
5 1 0 57.99 110.04 43.35 o
6 1 0 17.13 -24.17 123.37 o
7 1 0 235.22 311.77 510.17 o
1 2 0 1083.46 975.33 30.84 o
3 2 0 93.78 40.85 30.01 o
5 2 0 213.09 225.08 39.18 o
1 3 0 229.07 235.91 12.50 o
2 3 0 1630.15 1641.39 31.68 o
4 3 0 875.49 886.13 30.01 o
5 3 0 67.49 54.18 41.68 o
7 3 0 7.78 -191.73 281.76 o
1 4 0 17.07 6.67 15.01 o
3 4 0 2056.46 1990.67 32.51 o
5 4 0 1306.98 1254.59 49.18 o
1 5 0 66.75 87.53 28.34 o
2 5 0 3145.05 3331.12 45.02 o
3 5 0 3550.45 3586.21 44.18 o
4 5 0 589.41 625.21 38.35 o
6 5 0 374.73 271.76 114.21 o
1 6 0 560.51 545.18 35.85 o
5 6 0 98.18 51.68 71.69 o
1 7 0 404.19 391.80 47.52 o
2 7 0 71.57 87.53 48.35 o
3 7 0 1226.10 1287.10 53.35 o
4 7 0 254.40 76.69 66.69 o
5 7 0 1216.15 1237.92 104.20 o
6 7 0 336.78 400.97 180.89 o
1 8 0 125.07 102.53 59.19 o
3 8 0 29.32 100.03 74.19 o
5 8 0 242.41 227.58 167.56 o
1 9 0 21.57 110.04 83.36 o
2 9 0 283.73 284.26 83.36 o
4 9 0 35.59 163.39 143.38 o
1 10 0 924.51 1080.36 134.21 o
3 10 0 31.38 -15.01 171.72 o
1 11 0 302.68 210.90 225.08 o
1 0 1 1274.74 1271.26 23.34 o
3 0 1 3232.75 3209.42 55.85 o
4 0 1 3.15 76.69 23.34 o
5 0 1 1088.67 1168.73 41.68 o
6 0 1 605.51 630.21 85.86 o
0 1 1 108.73 100.03 3.33 o
1 1 1 6375.90 6059.54 98.37 o
2 1 1 2624.66 2663.40 34.18 o
3 1 1 2373.56 2393.31 27.51 o
4 1 1 237.79 240.91 17.51 o
5 1 1 278.68 253.42 29.18 o
6 1 1 185.17 269.26 60.02 o
7 1 1 12.32 -56.69 167.56 o
0 2 1 782.40 705.24 12.50 o
1 2 1 2846.97 2679.24 23.34 o
3 2 1 709.65 726.08 18.34 o
4 2 1 2317.70 2377.47 25.01 o
5 2 1 379.97 385.96 30.01 o
6 2 1 822.23 844.45 65.02 o
7 2 1 545.81 546.02 155.89 o
0 3 1 33.74 52.52 10.84 o
1 3 1 126.92 111.70 7.50 o
2 3 1 8470.07 8539.55 45.02 o
3 3 1 1319.75 1317.11 19.17 o
4 3 1 3968.20 4024.69 34.18 o
5 3 1 200.63 218.41 30.01 o
6 3 1 116.40 57.52 67.52 o
7 3 1 110.06 115.04 175.06 o
0 4 1 1011.76 1040.35 20.84 o
1 4 1 5775.94 5446.84 33.34 o
2 4 1 1683.28 1748.09 22.51 o
3 4 1 268.95 264.26 16.67 o
4 4 1 847.16 923.64 24.17 o
5 4 1 930.15 941.98 34.18 o
6 4 1 502.01 596.87 65.02 o
7 4 1 276.12 476.83 167.56 o
0 5 1 6.31 46.68 28.34 o
1 5 1 145.28 138.38 20.84 o
2 5 1 2181.89 2326.62 29.18 o
3 5 1 2281.54 2151.56 26.68 o
4 5 1 643.51 689.40 28.34 o
5 5 1 151.09 146.72 40.85 o
6 5 1 35.80 65.86 78.36 o
7 5 1 83.47 19.17 190.06 o
0 6 1 1272.00 1222.91 42.51 o
1 6 1 256.66 254.25 25.01 o
2 6 1 3726.78 3866.30 35.85 o
3 6 1 21.45 1.67 25.84 o
4 6 1 91.73 91.70 34.18 o
5 6 1 88.69 165.06 52.52 o
6 6 1 542.02 741.92 102.53 o
1 7 1 229.86 170.06 33.34 o
2 7 1 96.36 138.38 36.68 o
3 7 1 1188.53 1117.04 37.51 o
4 7 1 592.73 576.03 48.35 o
5 7 1 188.50 211.74 72.52 o
6 7 1 234.19 401.80 130.88 o
0 8 1 163.45 201.73 60.02 o
1 8 1 583.96 591.03 44.18 o
2 8 1 629.44 726.91 43.35 o
3 8 1 120.41 231.74 52.52 o
4 8 1 26.27 -35.85 69.19 o
5 8 1 260.22 380.96 120.04 o
0 9 1 83.15 360.12 76.69 o
1 9 1 120.21 249.25 61.69 o
2 9 1 144.09 142.55 60.02 o
3 9 1 164.44 155.89 79.19 o
4 9 1 252.10 305.10 100.87 o
1 10 1 257.54 279.26 95.87 o
2 10 1 23.92 129.21 95.87 o
3 10 1 52.65 65.02 125.88 o
1 11 1 17.82 175.89 161.72 o
1 0 2 656.22 691.90 14.17 o
3 0 2 70.62 57.52 15.84 o
5 0 2 339.83 446.82 42.51 o
7 0 2 31.69 134.21 178.39 o
1 1 2 398.03 380.13 5.00 o
2 1 2 1083.05 1166.23 13.34 o
3 1 2 4394.46 4551.54 35.85 o
4 1 2 2241.44 2274.10 27.51 o
5 1 2 4123.03 4073.87 42.51 o
6 1 2 244.87 261.75 48.35 o
7 1 2 198.60 160.89 123.37 o
1 2 2 949.30 891.13 9.17 o
3 2 2 834.58 866.13 16.67 o
5 2 2 689.00 698.57 30.01 o
7 2 2 316.76 409.30 118.37 o
0 3 2 53.23 80.86 10.00 o
1 3 2 816.17 785.26 11.67 o
2 3 2 845.59 826.95 14.17 o
3 3 2 1355.68 1301.27 18.34 o
4 3 2 2405.22 2395.81 30.84 o
5 3 2 1423.32 1419.65 33.34 o
6 3 2 1094.05 1115.38 59.19 o
7 3 2 0.84 -38.35 134.21 o
1 4 2 8560.05 8028.54 45.02 o
3 4 2 84.37 85.86 15.84 o
5 4 2 163.96 139.21 34.18 o
7 4 2 214.41 332.61 140.88 o
0 5 2 2116.74 2194.91 40.01 o
1 5 2 75.78 55.85 18.34 o
2 5 2 469.13 497.67 20.01 o
3 5 2 912.75 840.28 21.67 o
4 5 2 315.02 245.92 28.34 o
5 5 2 603.25 581.86 45.85 o
6 5 2 274.85 286.76 80.86 o
7 5 2 340.42 464.32 170.89 o
1 6 2 1551.50 1493.84 30.01 o
3 6 2 892.57 826.11 29.18 o
0 7 2 2342.08 2411.65 90.86 o
1 7 2 392.88 324.28 35.85 o
2 7 2 126.53 116.71 35.85 o
3 7 2 549.73 456.82 36.68 o
4 7 2 20.28 50.02 49.18 o
5 7 2 732.65 731.91 75.03 o
6 7 2 154.68 195.90 136.71 o
1 8 2 549.71 541.02 43.35 o
3 8 2 255.86 335.95 51.68 o
5 8 2 296.05 335.95 120.04 o
0 9 2 450.22 596.87 79.19 o
1 9 2 60.66 29.18 60.85 o
2 9 2 12.20 -61.69 61.69 o
3 9 2 354.36 371.79 80.03 o
4 9 2 809.66 946.99 104.20 o
1 10 2 15.29 24.17 95.03 o
1 11 2 74.08 129.21 155.89 o
1 0 3 3563.43 3592.05 55.85 o
2 0 3 72.26 140.05 19.17 o
4 0 3 6109.99 6057.88 67.52 o
5 0 3 2533.20 2459.16 56.69 o
7 0 3 104.54 359.29 125.04 o
0 1 3 57.56 47.52 5.00 o
1 1 3 3536.38 3336.13 24.17 o
2 1 3 2506.54 2611.71 31.68 o
3 1 3 63.71 77.53 13.34 o
4 1 3 1010.56 1015.34 25.01 o
5 1 3 180.27 192.56 30.01 o
6 1 3 341.28 369.29 47.52 o
7 1 3 289.74 342.62 91.70 o
0 2 3 285.18 299.27 10.84 o
1 2 3 4889.87 4620.73 40.01 o
3 2 3 2010.19 2030.69 21.67 o
4 2 3 499.56 528.51 22.51 o
5 2 3 982.61 1000.34 33.34 o
6 2 3 538.00 617.71 45.85 o
7 2 3 414.55 470.99 97.53 o
1 3 3 3678.34 3557.87 34.18 o
2 3 3 2724.98 2831.79 25.01 o
4 3 3 202.91 220.91 24.17 o
5 3 3 864.75 900.30 34.18 o
7 3 3 372.54 387.63 105.87 o
0 4 3 20.65 -15.01 24.17 o
1 4 3 583.38 580.20 14.17 o
2 4 3 2089.37 2179.07 23.34 o
3 4 3 512.05 513.51 18.34 o
4 4 3 261.78 276.76 25.84 o
5 4 3 290.55 274.26 35.85 o
6 4 3 14.20 242.58 64.19 o
7 4 3 1183.53 1219.58 132.54 o
0 5 3 1.48 -23.34 23.34 o
1 5 3 1988.40 1976.50 25.84 o
2 5 3 1108.63 1148.72 22.51 o
3 5 3 42.55 75.86 22.51 o
4 5 3 201.41 150.88 30.84 o
5 5 3 9.09 49.18 46.68 o
6 5 3 1279.84 1247.92 85.03 o
7 5 3 404.68 678.56 166.72 o
1 6 3 1448.74 1361.29 30.01 o
2 6 3 2.29 35.85 25.84 o
4 6 3 51.30 65.02 36.68 o
5 6 3 213.38 120.04 59.19 o
0 7 3 837.77 976.16 51.68 o
1 7 3 597.01 499.34 35.01 o
2 7 3 139.89 205.90 35.85 o
3 7 3 265.40 238.41 37.51 o
4 7 3 329.90 270.09 53.35 o
5 7 3 282.23 257.59 80.86 o
6 7 3 272.40 521.01 146.72 o
1 8 3 6.18 23.34 41.68 o
3 8 3 22.05 77.53 50.85 o
4 8 3 678.87 664.39 74.19 o
5 8 3 17.53 -126.71 126.71 o
1 9 3 123.49 97.53 59.19 o
2 9 3 60.35 23.34 65.02 o
4 9 3 506.50 563.52 105.87 o
1 10 3 360.72 263.42 96.70 o
2 10 3 72.02 132.54 103.37 o
3 10 3 281.69 170.89 127.54 o
1 11 3 19.29 225.91 156.72 o
1 0 4 511.02 498.50 11.67 o
3 0 4 3591.64 3592.05 44.18 o
5 0 4 52.59 83.36 40.01 o
7 0 4 1.13 35.01 114.21 o
0 1 4 667.18 688.57 14.17 o
1 1 4 150.56 150.05 5.00 o
2 1 4 407.35 409.30 10.84 o
3 1 4 93.20 105.04 14.17 o
4 1 4 5415.50 5410.16 53.35 o
5 1 4 703.99 689.40 35.85 o
6 1 4 94.71 170.89 47.52 o
7 1 4 379.52 308.44 84.20 o
1 2 4 144.68 144.22 12.50 o
3 2 4 1313.71 1295.44 17.51 o
5 2 4 449.75 402.64 33.34 o
7 2 4 176.01 252.59 86.70 o
0 3 4 621.96 626.04 15.84 o
1 3 4 1043.16 1012.84 17.51 o
2 3 4 395.24 391.80 13.34 o
3 3 4 359.69 336.78 16.67 o
4 3 4 529.88 566.86 27.51 o
5 3 4 250.12 225.91 33.34 o
6 3 4 481.02 381.80 52.52 o
7 3 4 200.56 233.41 100.03 o
1 4 4 587.26 583.53 15.84 o
3 4 4 1216.00 1165.39 22.51 o
5 4 4 294.15 290.93 38.35 o
7 4 4 49.77 133.38 135.05 o
0 5 4 1.58 -25.01 25.01 o
1 5 4 1756.99 1713.08 24.17 o
2 5 4 1664.42 1685.57 26.68 o
3 5 4 1101.42 1135.38 25.84 o
4 5 4 951.18 961.99 35.85 o
5 5 4 378.68 332.61 49.18 o
6 5 4 207.87 221.74 82.53 o
7 5 4 19.63 -63.35 161.72 o
1 6 4 188.98 153.39 27.51 o
3 6 4 878.89 874.46 35.01 o
5 6 4 129.68 41.68 62.52 o
0 7 4 81.39 175.89 50.02 o
1 7 4 451.18 413.47 34.18 o
2 7 4 746.82 791.93 36.68 o
3 7 4 581.04 551.02 39.18 o
4 7 4 116.41 104.20 55.85 o
5 7 4 135.68 185.06 84.20 o
1 8 4 146.53 165.06 44.18 o
3 8 4 155.52 111.70 52.52 o
5 8 4 173.86 302.60 133.38 o
1 9 4 30.34 10.84 58.35 o
2 9 4 12.37 152.55 71.69 o
3 9 4 314.21 266.76 80.86 o
4 9 4 26.33 17.51 117.54 o
1 10 4 315.60 237.58 92.53 o
3 10 4 65.36 -40.85 131.71 o
0 11 4 1068.16 1321.28 213.41 o
1 11 4 39.31 305.94 150.05 o
1 0 5 1945.46 1797.27 240.08 o
2 0 5 122.88 158.39 8.34 o
3 0 5 321.33 335.95 23.34 o
4 0 5 1295.57 1327.95 39.18 o
6 0 5 6.15 38.35 59.19 o
7 0 5 10.40 -44.18 114.21 o
0 1 5 981.42 951.15 36.68 o
1 1 5 1198.53 1236.25 12.50 o
2 1 5 346.15 345.12 8.34 o
3 1 5 185.55 177.56 16.67 o
4 1 5 7315.48 7425.01 65.02 o
5 1 5 431.17 376.79 36.68 o
6 1 5 214.66 287.60 48.35 o
7 1 5 174.77 165.89 86.70 o
0 2 5 32.20 62.52 10.84 o
1 2 5 1302.15 1289.60 20.84 o
2 2 5 482.14 493.50 10.00 o
3 2 5 810.33 794.43 17.51 o
4 2 5 1281.58 1263.76 32.51 o
5 2 5 742.51 736.92 35.85 o
6 2 5 1.35 102.53 45.85 o
7 2 5 15.02 -6.67 89.20 o
0 3 5 499.03 494.33 19.17 o
1 3 5 677.37 666.89 19.17 o
2 3 5 235.33 233.41 14.17 o
3 3 5 14.64 2.50 18.34 o
4 3 5 1327.82 1244.59 33.34 o
5 3 5 430.60 435.98 35.01 o
6 3 5 351.80 300.10 54.18 o
7 3 5 163.35 351.79 101.70 o
0 4 5 132.88 127.54 22.51 o
1 4 5 869.97 869.46 19.17 o
2 4 5 645.45 749.42 19.17 o
3 4 5 3153.02 2996.84 35.85 o
4 4 5 122.49 121.71 31.68 o
5 4 5 545.49 496.00 39.18 o
6 4 5 348.98 401.80 65.86 o
7 4 5 226.57 139.21 138.38 o
1 5 5 1152.83 1128.71 23.34 o
2 5 5 2289.68 2379.97 30.84 o
3 5 5 728.03 706.07 28.34 o
4 5 5 709.36 776.10 40.01 o
6 5 5 175.77 269.26 83.36 o
0 6 5 0.18 -5.00 45.85 o
1 6 5 3569.23 3662.90 40.85 o
2 6 5 4192.61 4266.44 43.35 o
3 6 5 411.31 370.96 34.18 o
4 6 5 203.26 269.26 41.68 o
5 6 5 106.91 79.19 65.86 o
6 6 5 101.58 222.58 122.54 o
0 7 5 170.74 170.89 51.68 o
1 7 5 972.25 946.15 35.85 o
2 7 5 1290.52 1309.61 37.51 o
3 7 5 460.66 362.62 41.68 o
4 7 5 29.34 28.34 61.69 o
5 7 5 335.98 381.80 89.20 o
6 7 5 110.11 -27.51 156.72 o
0 8 5 90.65 160.05 59.19 o
1 8 5 1548.77 1535.52 45.02 o
2 8 5 754.43 751.09 49.18 o
3 8 5 227.99 295.10 55.85 o
4 8 5 341.60 334.28 87.53 o
5 8 5 447.14 402.64 137.55 o
0 9 5 322.82 530.18 89.20 o
1 9 5 51.91 65.02 58.35 o
2 9 5 134.53 100.87 75.03 o
3 9 5 450.08 360.96 85.03 o
4 9 5 185.72 135.05 127.54 o
1 10 5 420.94 396.80 93.36 o
2 10 5 67.24 313.44 115.87 o
3 10 5 199.53 165.06 139.21 o
0 11 5 71.66 265.09 244.25 o
1 0 6 2086.41 2203.24 61.69 o
5 0 6 0.23 41.68 42.51 o
7 0 6 116.39 140.88 113.37 o
0 1 6 217.79 233.41 11.67 o
1 1 6 1754.96 1833.95 13.34 o
2 1 6 2711.73 2737.59 15.84 o
3 1 6 3705.08 3588.71 31.68 o
4 1 6 500.92 591.03 30.84 o
5 1 6 731.34 767.76 40.85 o
6 1 6 312.24 316.77 48.35 o
7 1 6 80.80 265.92 95.87 o
1 2 6 2567.47 2592.54 30.01 o
3 2 6 893.47 806.94 20.01 o
5 2 6 495.07 477.66 35.85 o
7 2 6 687.03 578.53 90.86 o
1 3 6 122.63 149.22 17.51 o
2 3 6 79.41 97.53 14.17 o
4 3 6 770.89 761.92 32.51 o
5 3 6 278.49 249.25 35.85 o
7 3 6 430.62 370.12 101.70 o
1 4 6 374.85 403.47 18.34 o
3 4 6 1720.13 1695.57 35.01 o
5 4 6 150.66 185.06 39.18 o
0 5 6 301.02 351.79 29.18 o
1 5 6 639.68 655.22 22.51 o
2 5 6 140.86 180.06 24.17 o
3 5 6 928.63 875.30 32.51 o
4 5 6 282.09 242.58 40.85 o
5 5 6 24.66 138.38 53.35 o
6 5 6 458.91 518.51 85.86 o
1 6 6 170.28 126.71 28.34 o
5 6 6 360.46 277.59 75.03 o
0 7 6 1102.71 1135.38 58.35 o
1 7 6 1165.86 1120.38 37.51 o
2 7 6 1383.35 1357.12 39.18 o
3 7 6 270.79 306.77 45.02 o
4 7 6 424.75 509.34 65.02 o
5 7 6 39.23 28.34 90.86 o
1 8 6 605.58 583.53 44.18 o
3 8 6 119.68 93.36 60.02 o
5 8 6 24.03 102.53 141.71 o
1 9 6 11.93 -33.34 60.85 o
2 9 6 136.51 137.55 77.53 o
4 9 6 2.19 -132.54 132.54 o
1 10 6 297.15 345.95 94.20 o
3 10 6 67.03 95.03 140.05 o
1 0 7 642.48 681.90 30.84 o
2 0 7 4537.63 4798.29 58.35 o
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4 0 7 1600.12 1587.20 50.85 o
5 0 7 178.55 207.57 46.68 o
6 0 7 248.83 271.76 63.35 o
0 1 7 75.01 70.86 16.67 o
1 1 7 2147.46 2202.41 18.34 o
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6 1 7 127.23 222.58 50.02 o
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6 2 7 145.48 174.23 49.18 o
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0 3 7 527.59 515.17 20.01 o
1 3 7 1361.20 1294.60 20.84 o
2 3 7 3057.78 3297.78 29.18 o
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4 3 7 272.34 271.76 31.68 o
5 3 7 916.03 891.97 39.18 o
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7 3 7 7.11 -105.04 105.04 o
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1 4 7 341.12 350.12 19.17 o
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4 4 7 391.19 452.65 35.85 o
5 4 7 66.51 101.70 41.68 o
6 4 7 1234.77 1317.11 75.03 o
7 4 7 44.84 321.78 142.55 o
0 5 7 93.68 25.01 29.18 o
1 5 7 1728.36 1698.91 27.51 o
2 5 7 38.92 60.02 26.68 o
3 5 7 579.62 591.87 34.18 o
4 5 7 1020.50 1072.03 43.35 o
5 5 7 566.57 630.21 55.02 o
6 5 7 51.72 69.19 85.86 o
0 6 7 203.20 210.90 45.02 o
1 6 7 496.80 486.83 28.34 o
2 6 7 62.14 208.40 32.51 o
3 6 7 49.21 41.68 40.85 o
4 6 7 132.49 127.54 46.68 o
5 6 7 154.95 61.69 75.86 o
6 6 7 414.48 769.43 130.04 o
1 7 7 326.59 341.78 38.35 o
2 7 7 1773.71 1799.77 44.18 o
3 7 7 78.13 44.18 50.02 o
4 7 7 133.66 123.37 67.52 o
5 7 7 701.04 692.73 95.87 o
1 8 7 1115.74 1076.20 46.68 o
2 8 7 41.80 123.37 53.35 o
3 8 7 82.97 53.35 65.86 o
4 8 7 224.52 192.56 101.70 o
5 8 7 74.26 -140.05 140.05 o
0 9 7 654.34 731.91 98.37 o
1 9 7 1166.62 1086.20 65.86 o
2 9 7 302.64 348.45 81.69 o
4 9 7 140.08 68.36 157.55 o
1 10 7 366.58 454.32 98.37 o
2 10 7 27.82 245.08 131.71 o
3 10 7 3.30 -155.89 155.89 o
1 0 8 158.74 103.37 26.68 o
3 0 8 80.06 78.36 49.18 o
5 0 8 57.04 57.52 49.18 o
7 0 8 35.62 28.34 120.04 o
0 1 8 112.41 120.87 15.84 o
1 1 8 5001.31 5134.23 31.68 o
2 1 8 265.52 255.09 23.34 o
3 1 8 46.69 34.18 21.67 o
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6 1 8 116.64 126.71 51.68 o
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5 2 20 223.04 150.88 120.87 o
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