#------------------------------------------------------------------------------
#$Date: 2018-02-14 10:12:20 +0200 (Wed, 14 Feb 2018) $
#$Revision: 206435 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/23/2242387.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_2242387
_cell_angle_alpha                90.000
_cell_angle_beta                 90.002
_cell_angle_gamma                90.000
_cell_length_a                   3.9233
_cell_length_b                   13.5536
_cell_length_c                   18.6723
_exptl_crystal_F_000             608.00
_reflns_d_resolution_high        0.7688
_cod_data_source_file            lh5870RNCsup3.hkl
_cod_data_source_block           RNC
_shelx_title                     ' 16114z in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            232.32
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
2 0 0 7094.94 6741.20 219.80 o
4 0 0 113.82 103.43 27.45 o
1 1 0 129.35 111.94 5.31 o
2 1 0 4120.96 4085.00 95.90 o
3 1 0 4275.63 4335.19 112.55 o
4 1 0 1320.75 1391.80 53.16 o
5 1 0 10.55 40.99 65.70 o
0 2 0 4777.96 5271.20 168.40 o
1 2 0 988.81 944.77 25.41 o
2 2 0 4128.51 3971.81 100.92 o
3 2 0 28.23 34.64 10.78 o
4 2 0 1877.15 1986.71 67.26 o
1 3 0 64.15 54.16 4.79 o
2 3 0 2661.84 2601.33 67.35 o
3 3 0 76.46 81.73 16.59 o
4 3 0 79.75 91.86 25.15 o
0 4 0 15526.52 16991.25 541.46 o
1 4 0 205.74 199.40 9.52 o
2 4 0 1393.99 1266.25 36.31 o
3 4 0 1148.96 1157.02 37.69 o
4 4 0 953.60 1013.79 58.14 o
1 5 0 1392.24 1525.25 42.76 o
2 5 0 12112.94 12230.09 320.51 o
3 5 0 146.42 142.38 15.82 o
4 5 0 1538.62 1641.03 72.25 o
0 6 0 40254.10 44747.90 1427.74 o
1 6 0 12339.39 13286.35 345.13 o
2 6 0 5393.63 5153.70 139.05 o
3 6 0 77.89 84.51 15.13 o
4 6 0 36.76 11.84 23.06 o
1 7 0 2847.77 2861.13 78.10 o
2 7 0 174.54 194.25 14.76 o
3 7 0 3464.32 3543.65 110.42 o
4 7 0 227.73 223.23 29.04 o
0 8 0 53.03 48.44 10.08 o
1 8 0 4819.45 4940.93 132.18 o
2 8 0 484.56 461.37 22.58 o
3 8 0 635.08 661.50 34.98 o
4 8 0 1453.59 1602.48 81.03 o
1 9 0 817.90 821.68 28.44 o
2 9 0 377.92 382.58 22.56 o
3 9 0 165.29 176.82 20.09 o
4 9 0 30.29 26.75 26.28 o
0 10 0 6162.91 6480.97 236.92 o
1 10 0 0.45 -0.63 8.80 o
2 10 0 1507.21 1425.26 47.54 o
3 10 0 1936.36 1904.22 72.47 o
4 10 0 165.78 165.73 31.70 o
1 11 0 451.13 476.14 25.04 o
2 11 0 3152.12 3288.95 95.06 o
3 11 0 233.42 251.71 24.45 o
0 12 0 1338.97 1382.33 61.05 o
1 12 0 6401.84 6461.40 186.45 o
2 12 0 563.43 555.73 30.54 o
3 12 0 178.76 202.08 24.04 o
1 13 0 1852.02 1833.04 62.31 o
2 13 0 1043.88 1043.45 46.22 o
3 13 0 1669.29 1682.91 67.28 o
0 14 0 1568.56 1401.86 82.41 o
1 14 0 627.86 623.39 34.27 o
2 14 0 88.08 79.43 21.35 o
3 14 0 745.87 737.77 47.58 o
1 15 0 529.07 499.31 32.33 o
2 15 0 8.44 15.01 21.27 o
0 16 0 1182.53 1126.70 78.19 o
1 16 0 319.59 321.77 31.56 o
2 16 0 314.75 276.09 34.59 o
1 17 0 533.12 518.49 41.15 o
-5 0 1 552.08 761.41 127.46 o
-3 0 1 5074.48 4955.86 166.57 o
-1 0 1 2965.82 3172.79 103.99 o
1 0 1 5972.97 6189.30 245.42 o
3 0 1 3644.73 3654.69 149.88 o
-5 1 1 864.09 1079.46 101.84 o
-4 1 1 568.50 562.47 42.10 o
-3 1 1 766.86 754.60 27.01 o
-2 1 1 1422.24 1407.25 35.90 o
-1 1 1 1520.17 1513.76 36.37 o
0 1 1 6504.68 7181.18 161.99 o
1 1 1 1360.08 1428.09 34.39 o
2 1 1 936.19 906.67 27.57 o
3 1 1 374.38 405.00 20.54 o
4 1 1 1005.01 984.84 48.99 o
5 1 1 463.76 514.35 102.76 o
-5 2 1 3.06 17.97 69.07 o
-4 2 1 1180.20 1219.28 60.12 o
-3 2 1 986.16 967.75 32.70 o
-2 2 1 5355.08 5442.78 125.95 o
-1 2 1 31566.03 31873.96 755.56 o
0 2 1 851.97 936.08 23.96 o
1 2 1 53973.89 53531.05 1204.65 o
2 2 1 5736.86 5863.41 135.46 o
3 2 1 1984.46 1949.13 55.99 o
4 2 1 578.76 635.59 40.42 o
5 2 1 4.50 30.88 55.59 o
-4 3 1 211.36 223.86 23.55 o
-3 3 1 3910.76 3959.27 110.49 o
-2 3 1 662.84 667.73 19.77 o
-1 3 1 19214.57 19240.10 467.60 o
0 3 1 1657.02 1933.73 47.86 o
1 3 1 9698.50 9908.01 262.01 o
2 3 1 334.10 339.53 12.78 o
3 3 1 4183.43 4120.89 118.01 o
4 3 1 364.23 396.56 29.51 o
5 3 1 749.57 978.15 133.08 o
-4 4 1 789.23 793.06 42.14 o
-3 4 1 1549.78 1532.38 49.49 o
-2 4 1 4498.29 4695.20 125.80 o
-1 4 1 11513.93 12236.61 317.39 o
0 4 1 10714.03 11954.07 269.34 o
1 4 1 13978.34 14457.23 373.80 o
2 4 1 8564.84 8549.28 211.06 o
3 4 1 1525.44 1505.39 46.04 o
4 4 1 394.74 421.21 39.31 o
-4 5 1 326.47 329.92 27.75 o
-3 5 1 352.01 337.34 22.93 o
-2 5 1 1429.57 1423.02 40.39 o
-1 5 1 1187.92 1275.39 36.54 o
0 5 1 2768.19 2957.88 68.14 o
1 5 1 824.92 936.32 28.10 o
2 5 1 857.52 849.06 26.87 o
3 5 1 362.16 348.05 23.10 o
4 5 1 533.79 552.35 45.38 o
-4 6 1 686.88 774.51 42.79 o
-3 6 1 2935.30 2814.54 82.93 o
-2 6 1 1137.43 1101.79 35.87 o
-1 6 1 695.75 679.73 22.33 o
0 6 1 1196.11 1297.05 31.53 o
1 6 1 570.76 592.13 20.13 o
2 6 1 601.17 559.98 22.94 o
3 6 1 1638.50 1648.39 54.24 o
4 6 1 600.11 660.75 50.91 o
-4 7 1 737.87 788.05 43.78 o
-3 7 1 855.96 865.66 44.95 o
-2 7 1 946.97 925.78 32.36 o
-1 7 1 1848.65 1912.81 49.08 o
0 7 1 5175.24 5718.13 130.69 o
1 7 1 947.32 1022.29 28.43 o
2 7 1 747.92 746.21 28.04 o
3 7 1 795.29 784.21 34.06 o
4 7 1 664.58 703.96 51.91 o
-4 8 1 445.24 443.90 38.20 o
-3 8 1 1651.45 1682.83 56.24 o
-2 8 1 1330.70 1314.22 42.58 o
-1 8 1 7806.89 8050.38 194.95 o
0 8 1 3175.02 3499.85 86.67 o
1 8 1 13849.38 14446.80 345.69 o
2 8 1 1079.75 1046.70 36.22 o
3 8 1 2377.98 2426.65 75.05 o
4 8 1 414.85 441.78 74.88 o
-4 9 1 365.71 387.91 67.21 o
-3 9 1 941.74 950.15 40.44 o
-2 9 1 3193.94 3192.25 90.71 o
-1 9 1 3073.91 3112.63 86.21 o
0 9 1 3350.53 3517.28 92.83 o
1 9 1 1526.82 1585.64 47.09 o
2 9 1 2071.10 2111.00 63.37 o
3 9 1 864.81 913.81 39.58 o
4 9 1 708.61 787.08 69.75 o
-4 10 1 151.63 156.78 35.63 o
-3 10 1 371.55 387.65 28.14 o
-2 10 1 2375.42 2440.89 72.80 o
-1 10 1 360.56 359.09 21.09 o
0 10 1 8743.18 9168.28 234.72 o
1 10 1 185.83 198.95 14.67 o
2 10 1 4690.75 4860.77 134.14 o
3 10 1 350.10 367.54 28.05 o
4 10 1 234.14 166.42 40.42 o
-3 11 1 393.53 404.75 31.39 o
-2 11 1 414.65 439.15 29.18 o
-1 11 1 1903.80 1897.07 61.10 o
0 11 1 127.30 154.61 12.52 o
1 11 1 1072.78 1033.90 38.57 o
2 11 1 340.70 359.01 24.07 o
3 11 1 799.08 756.97 39.25 o
-3 12 1 48.57 42.14 22.73 o
-2 12 1 3138.92 3051.07 106.67 o
-1 12 1 195.81 219.40 18.78 o
0 12 1 39.98 33.40 12.34 o
1 12 1 95.82 92.43 15.03 o
2 12 1 1545.36 1508.73 52.19 o
3 12 1 25.63 36.76 20.25 o
-3 13 1 487.08 528.98 39.26 o
-2 13 1 22.00 8.99 18.36 o
-1 13 1 1086.17 1116.44 43.96 o
0 13 1 45.71 42.12 16.61 o
1 13 1 553.30 589.04 34.59 o
2 13 1 29.14 32.94 17.98 o
3 13 1 647.13 680.19 46.06 o
-3 14 1 755.18 780.54 58.11 o
-2 14 1 747.52 723.23 41.91 o
-1 14 1 918.99 937.62 41.64 o
0 14 1 2364.47 2191.97 81.41 o
1 14 1 1566.97 1529.89 63.07 o
2 14 1 1407.34 1360.84 62.32 o
3 14 1 496.57 573.02 46.65 o
-2 15 1 1727.69 1670.89 65.74 o
-1 15 1 81.48 88.00 19.42 o
0 15 1 1980.34 1904.97 75.14 o
1 15 1 132.02 123.75 23.03 o
2 15 1 1125.68 1176.09 79.91 o
-2 16 1 575.00 598.04 42.29 o
-1 16 1 394.00 441.92 38.35 o
0 16 1 1945.50 1866.82 76.50 o
1 16 1 805.76 708.14 46.03 o
2 16 1 1103.42 1166.74 55.14 o
-1 17 1 584.01 542.86 44.29 o
0 17 1 406.71 435.01 37.42 o
1 17 1 331.25 347.33 34.57 o
-4 0 2 1102.93 986.58 113.43 o
-2 0 2 8539.96 8238.50 267.35 o
0 0 2 3138.39 2856.72 152.79 o
2 0 2 13758.23 13050.19 421.48 o
4 0 2 2203.69 2328.46 137.13 o
-5 1 2 556.66 719.63 178.56 o
-4 1 2 762.49 793.71 93.77 o
-3 1 2 360.97 361.16 18.56 o
-2 1 2 3862.21 3849.19 95.46 o
-1 1 2 9392.77 9651.39 230.12 o
0 1 2 2130.48 2263.76 52.62 o
1 1 2 17708.88 17927.31 404.38 o
2 1 2 2721.07 2924.52 75.62 o
3 1 2 472.06 460.02 19.60 o
4 1 2 724.57 766.38 49.12 o
5 1 2 543.93 676.34 108.65 o
-5 2 2 18.36 41.55 70.75 o
-4 2 2 125.16 157.64 33.45 o
-3 2 2 2174.60 2232.79 66.70 o
-2 2 2 10985.69 10899.23 261.62 o
-1 2 2 7785.64 8121.57 184.48 o
0 2 2 2316.04 2450.05 56.22 o
1 2 2 14903.47 15912.25 387.76 o
2 2 2 8917.99 8981.44 206.00 o
3 2 2 2904.72 2873.42 77.63 o
4 2 2 135.02 151.39 29.02 o
5 2 2 9.39 49.41 58.40 o
-4 3 2 3407.63 3617.70 130.57 o
-3 3 2 196.17 216.23 15.75 o
-2 3 2 372.72 367.22 13.55 o
-1 3 2 254.84 275.61 10.08 o
0 3 2 4133.36 4431.10 100.70 o
1 3 2 515.63 558.66 14.92 o
2 3 2 187.32 176.53 9.52 o
3 3 2 209.07 210.44 17.84 o
4 3 2 1739.90 1938.77 72.83 o
5 3 2 112.80 164.52 69.07 o
-4 4 2 195.64 188.60 31.03 o
-3 4 2 3335.97 3347.00 89.12 o
-2 4 2 3971.47 4107.67 104.35 o
-1 4 2 9416.84 9928.51 243.52 o
0 4 2 13976.33 15240.05 343.81 o
1 4 2 4706.82 4795.46 124.22 o
2 4 2 6153.86 6302.71 156.93 o
3 4 2 2852.85 2796.79 84.05 o
4 4 2 347.09 405.46 35.26 o
-4 5 2 372.42 400.60 35.24 o
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-2 5 2 2448.12 2349.99 62.37 o
-1 5 2 800.17 903.77 27.32 o
0 5 2 13119.90 14079.46 317.39 o
1 5 2 779.36 881.33 26.03 o
2 5 2 2199.58 2197.98 58.61 o
3 5 2 596.78 572.69 28.96 o
4 5 2 755.74 823.36 55.92 o
-4 6 2 518.03 454.77 68.31 o
-3 6 2 1095.16 1116.59 44.57 o
-2 6 2 3985.65 4037.34 102.68 o
-1 6 2 2224.89 2453.14 61.18 o
0 6 2 835.83 811.88 22.55 o
1 6 2 4016.74 4267.46 104.28 o
2 6 2 7961.21 8145.56 215.55 o
3 6 2 2191.96 2106.32 81.79 o
4 6 2 1055.69 1126.16 62.08 o
-4 7 2 454.60 478.45 50.26 o
-3 7 2 146.14 148.50 17.43 o
-2 7 2 907.67 877.94 31.39 o
-1 7 2 7913.31 8124.34 206.89 o
0 7 2 160.29 146.88 9.35 o
1 7 2 7288.81 7569.06 182.63 o
2 7 2 455.71 493.79 22.18 o
3 7 2 294.64 303.81 21.79 o
4 7 2 222.15 235.67 32.21 o
-4 8 2 384.81 393.31 35.32 o
-3 8 2 722.59 761.49 43.31 o
-2 8 2 3746.43 3720.20 103.10 o
-1 8 2 1945.30 1972.72 65.68 o
0 8 2 917.38 870.38 27.29 o
1 8 2 3458.65 3607.45 89.63 o
2 8 2 1940.61 1995.35 59.74 o
3 8 2 1307.81 1306.14 64.87 o
4 8 2 208.20 209.03 32.45 o
-4 9 2 649.75 704.21 45.16 o
-3 9 2 1575.57 1601.68 64.77 o
-2 9 2 264.10 279.57 20.73 o
-1 9 2 656.49 675.61 25.06 o
0 9 2 902.03 967.64 30.62 o
1 9 2 1124.62 1125.95 35.93 o
2 9 2 329.03 323.35 20.67 o
3 9 2 777.34 768.55 36.24 o
4 9 2 389.58 441.11 43.68 o
-4 10 2 143.60 126.51 28.20 o
-3 10 2 2269.46 2279.35 85.69 o
-2 10 2 1181.01 1246.59 46.96 o
-1 10 2 5102.83 5153.31 139.13 o
0 10 2 106.43 132.15 10.83 o
1 10 2 2798.45 2821.48 79.47 o
2 10 2 2032.77 2021.15 61.84 o
3 10 2 1142.71 1173.77 65.44 o
4 10 2 249.96 254.49 69.72 o
-3 11 2 369.33 466.54 36.16 o
-2 11 2 349.29 380.83 24.69 o
-1 11 2 1115.27 1106.17 40.66 o
0 11 2 6473.93 6575.28 170.46 o
1 11 2 833.96 817.88 33.17 o
2 11 2 239.95 262.83 20.18 o
3 11 2 234.58 208.57 26.14 o
-3 12 2 1533.38 1508.43 69.55 o
-2 12 2 520.66 482.96 29.68 o
-1 12 2 1670.91 1630.68 55.72 o
0 12 2 181.03 198.27 15.11 o
1 12 2 3391.68 3338.48 114.02 o
2 12 2 635.48 585.30 34.69 o
3 12 2 2902.02 2939.73 117.86 o
-3 13 2 46.78 64.86 23.82 o
-2 13 2 25.18 24.46 18.77 o
-1 13 2 2086.03 2075.25 69.16 o
0 13 2 1123.09 1123.02 48.60 o
1 13 2 1797.46 1886.81 71.81 o
2 13 2 17.30 0.43 20.55 o
3 13 2 59.99 57.73 25.48 o
-3 14 2 893.06 951.80 57.16 o
-2 14 2 571.82 551.22 37.08 o
-1 14 2 1361.40 1283.75 50.37 o
0 14 2 610.74 523.15 35.34 o
1 14 2 973.57 964.88 41.52 o
2 14 2 799.42 810.72 42.64 o
3 14 2 493.67 560.29 49.17 o
-2 15 2 216.33 252.16 27.67 o
-1 15 2 623.44 576.53 36.55 o
0 15 2 39.02 42.89 19.78 o
1 15 2 686.99 695.93 37.63 o
2 15 2 105.65 105.36 23.40 o
-2 16 2 1149.83 1155.33 56.90 o
-1 16 2 749.46 782.83 53.33 o
0 16 2 110.70 113.26 24.28 o
1 16 2 451.32 414.00 36.17 o
2 16 2 967.31 1008.69 58.42 o
-1 17 2 1270.49 1275.22 64.08 o
0 17 2 525.35 554.70 42.12 o
1 17 2 877.22 846.40 52.62 o
-5 0 3 281.12 308.83 81.42 o
-3 0 3 1453.74 1485.35 58.10 o
-1 0 3 40121.36 38106.37 1218.74 o
1 0 3 29516.07 29955.37 956.55 o
3 0 3 781.31 821.17 47.80 o
5 0 3 188.45 210.01 66.82 o
-5 1 3 542.79 791.16 90.28 o
-4 1 3 776.60 851.19 53.68 o
-3 1 3 4707.19 4760.28 119.72 o
-2 1 3 3109.45 3058.10 76.75 o
-1 1 3 3819.91 3804.44 87.85 o
0 1 3 10463.17 10611.23 238.56 o
1 1 3 2202.96 2248.16 61.71 o
2 1 3 3878.54 3844.72 90.79 o
3 1 3 2299.89 2572.80 64.59 o
4 1 3 439.77 454.91 39.81 o
5 1 3 272.77 272.41 42.84 o
-5 2 3 906.62 935.94 253.24 o
-4 2 3 146.87 173.34 29.99 o
-3 2 3 2283.61 2285.60 67.99 o
-2 2 3 571.21 556.96 18.39 o
-1 2 3 764.31 759.93 19.42 o
0 2 3 4043.39 4276.74 97.75 o
1 2 3 1271.39 1293.56 31.46 o
2 2 3 281.99 271.10 12.82 o
3 2 3 4665.15 4623.02 119.96 o
4 2 3 169.68 173.59 30.32 o
5 2 3 930.26 994.36 90.71 o
-4 3 3 40.61 35.04 19.90 o
-3 3 3 1198.84 1201.25 41.21 o
-2 3 3 889.16 928.18 26.83 o
-1 3 3 2717.40 2634.00 65.92 o
0 3 3 13.50 13.73 2.48 o
1 3 3 4091.37 4006.41 92.32 o
2 3 3 1823.90 1832.56 45.66 o
3 3 3 2380.09 2383.47 70.04 o
4 3 3 32.18 55.28 19.99 o
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-1 4 3 993.35 1002.52 27.52 o
0 4 3 1611.30 1772.00 41.56 o
1 4 3 1135.47 1087.97 27.12 o
2 4 3 6317.54 6512.40 177.69 o
3 4 3 3720.62 3702.62 97.66 o
4 4 3 1179.06 1292.50 63.87 o
-4 5 3 29.89 12.80 24.08 o
-3 5 3 5400.09 5485.56 161.61 o
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0 5 3 4940.73 5293.61 120.76 o
1 5 3 2538.27 2748.08 73.72 o
2 5 3 1142.82 1138.24 37.17 o
3 5 3 2841.34 2811.88 88.08 o
4 5 3 15.55 26.33 23.80 o
-4 6 3 34.51 61.72 28.35 o
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0 6 3 9175.64 9793.69 221.80 o
1 6 3 9991.13 10360.16 269.63 o
2 6 3 1736.68 1812.76 59.86 o
3 6 3 380.80 350.83 23.35 o
4 6 3 60.80 84.87 26.63 o
-4 7 3 1865.52 1882.94 93.04 o
-3 7 3 217.37 227.31 23.85 o
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-1 7 3 906.17 928.37 26.37 o
0 7 3 1133.08 1253.75 31.29 o
1 7 3 607.12 625.63 21.43 o
2 7 3 3735.57 3682.51 112.90 o
3 7 3 121.69 156.02 17.74 o
4 7 3 936.34 1064.53 61.52 o
-4 8 3 57.73 48.07 27.39 o
-3 8 3 1410.07 1447.22 59.73 o
-2 8 3 1942.93 1842.53 59.95 o
-1 8 3 1036.91 1046.33 29.76 o
0 8 3 1853.73 1771.43 43.28 o
1 8 3 559.20 577.87 20.74 o
2 8 3 1687.19 1706.40 57.95 o
3 8 3 2689.81 2757.63 93.51 o
4 8 3 114.27 107.26 29.91 o
-4 9 3 60.94 69.76 29.33 o
-3 9 3 17.23 23.12 17.95 o
-2 9 3 1360.61 1361.91 45.09 o
-1 9 3 1329.08 1401.57 42.79 o
0 9 3 5030.43 5152.15 126.41 o
1 9 3 1988.94 2028.86 64.76 o
2 9 3 2620.64 2617.94 84.12 o
3 9 3 33.08 48.21 19.88 o
4 9 3 108.98 100.11 31.74 o
-4 10 3 849.43 901.43 60.20 o
-3 10 3 133.93 155.60 22.43 o
-2 10 3 1368.80 1374.48 46.43 o
-1 10 3 1628.28 1645.54 49.86 o
0 10 3 51.06 60.15 9.13 o
1 10 3 984.41 1045.02 38.58 o
2 10 3 2634.21 2684.27 87.23 o
3 10 3 68.98 57.29 21.69 o
4 10 3 1634.41 1718.93 98.23 o
-3 11 3 1796.10 1853.10 68.98 o
-2 11 3 690.51 754.93 33.97 o
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0 11 3 514.02 538.17 22.72 o
1 11 3 1635.63 1654.68 54.85 o
2 11 3 361.41 355.54 26.22 o
3 11 3 1088.90 1085.47 54.20 o
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