#------------------------------------------------------------------------------
#$Date: 2016-04-06 13:31:37 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181859 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/7/20/93/7209322.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_7209322
_cell_angle_alpha                70.789
_cell_angle_beta                 82.385
_cell_angle_gamma                86.674
_cell_length_a                   3.6149
_cell_length_b                   11.4499
_cell_length_c                   12.1649
_exptl_crystal_F_000             304.00
_reflns_d_resolution_high        0.7499
_cod_data_source_file            cdtpn38.fcf
_cod_data_source_block           cdtpn3
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' [Cd(N3)2(C5N4H4)]'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            180.41
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
1 0 0 2631.95 2658.05 53.96 o
2 0 0 3299.08 3312.20 38.17 o
3 0 0 805.31 825.45 17.16 o
4 0 0 5.47 8.21 2.06 o
-4 1 0 1.91 0.89 1.30 o
-3 1 0 834.33 841.85 14.00 o
-2 1 0 3478.53 3559.75 40.93 o
-1 1 0 692.06 747.09 10.64 o
0 1 0 10469.37 7217.11 168.29 o
1 1 0 29.86 37.15 1.80 o
2 1 0 3986.27 4161.47 49.46 o
3 1 0 1552.49 1560.46 28.82 o
4 1 0 10.56 10.59 2.58 o
-4 2 0 2.91 3.76 2.86 o
-3 2 0 1733.65 1730.97 25.61 o
-2 2 0 1510.08 1585.46 22.50 o
-1 2 0 4335.97 4217.07 78.80 o
0 2 0 1865.91 1880.85 21.56 o
1 2 0 20.02 29.96 0.84 o
2 2 0 2945.69 3134.92 36.30 o
3 2 0 2114.08 2149.91 38.09 o
4 2 0 1.74 2.35 2.07 o
-4 3 0 0.05 0.93 1.19 o
-3 3 0 1809.76 1876.27 27.68 o
-2 3 0 965.07 964.02 14.77 o
-1 3 0 1031.72 1019.49 14.34 o
0 3 0 5149.17 4901.25 60.15 o
1 3 0 841.78 892.15 13.01 o
2 3 0 156.26 160.12 9.13 o
3 3 0 555.43 576.99 19.87 o
4 3 0 2.60 3.45 1.53 o
-4 4 0 47.08 45.16 3.78 o
-3 4 0 1294.86 1275.76 28.69 o
-2 4 0 431.21 384.94 14.98 o
-1 4 0 953.23 961.88 12.06 o
0 4 0 3436.69 3231.25 36.92 o
1 4 0 414.46 426.08 5.92 o
2 4 0 845.14 866.01 13.78 o
3 4 0 1061.63 1051.72 17.25 o
4 4 0 4.26 4.90 1.59 o
-4 5 0 3.95 4.34 1.39 o
-3 5 0 851.26 858.69 14.95 o
-2 5 0 611.00 619.66 10.72 o
-1 5 0 602.92 574.45 8.02 o
0 5 0 2021.88 1799.08 24.74 o
1 5 0 854.42 884.65 11.37 o
2 5 0 726.10 717.05 15.00 o
3 5 0 1223.21 1218.14 19.67 o
4 5 0 17.94 18.06 2.86 o
-4 6 0 10.36 8.78 2.73 o
-3 6 0 436.71 410.64 12.99 o
-2 6 0 317.73 311.38 6.79 o
-1 6 0 225.94 208.69 3.98 o
0 6 0 2281.52 2151.38 31.09 o
1 6 0 175.35 174.90 3.38 o
2 6 0 921.06 873.00 17.67 o
3 6 0 894.26 881.97 15.52 o
4 6 0 0.00 1.66 1.43 o
-3 7 0 1446.27 1477.64 38.97 o
-2 7 0 1093.83 1045.43 16.91 o
-1 7 0 159.15 128.31 9.94 o
0 7 0 2210.78 2332.34 28.03 o
1 7 0 594.63 584.86 21.97 o
2 7 0 494.57 484.44 9.52 o
3 7 0 653.18 641.13 12.50 o
4 7 0 0.77 4.24 2.58 o
-3 8 0 869.49 835.13 19.21 o
-2 8 0 820.49 806.92 17.57 o
-1 8 0 511.34 475.74 9.07 o
0 8 0 1863.61 1960.22 24.21 o
1 8 0 226.64 220.10 5.57 o
2 8 0 548.53 524.32 10.37 o
3 8 0 314.61 314.97 8.05 o
-3 9 0 292.22 279.00 9.74 o
-2 9 0 289.77 277.75 8.91 o
-1 9 0 618.84 591.08 13.87 o
0 9 0 3586.85 3654.71 50.62 o
1 9 0 36.99 42.56 3.26 o
2 9 0 892.03 841.66 19.13 o
3 9 0 340.10 309.22 10.39 o
-3 10 0 240.05 250.62 9.54 o
-2 10 0 377.55 385.47 11.41 o
-1 10 0 35.14 33.59 2.94 o
0 10 0 1172.88 1197.09 19.46 o
1 10 0 26.09 25.56 2.98 o
2 10 0 462.11 464.59 13.20 o
3 10 0 354.74 359.84 11.90 o
-2 11 0 163.54 157.74 7.03 o
-1 11 0 178.40 190.61 7.32 o
0 11 0 301.37 326.90 10.11 o
1 11 0 109.54 107.10 5.80 o
2 11 0 212.88 214.57 8.62 o
-2 12 0 122.67 121.66 9.37 o
-1 12 0 86.18 97.10 5.31 o
0 12 0 404.52 413.14 12.23 o
1 12 0 157.59 147.51 7.04 o
2 12 0 156.99 155.68 8.06 o
-1 13 0 34.20 41.69 4.35 o
0 13 0 457.21 511.16 14.59 o
1 13 0 65.91 62.92 4.78 o
-1 -13 1 313.10 322.80 19.55 o
0 -13 1 149.25 158.20 7.47 o
1 -13 1 56.50 57.60 5.02 o
-2 -12 1 1.43 5.71 2.95 o
-1 -12 1 284.63 298.48 10.68 o
0 -12 1 312.29 323.09 12.30 o
1 -12 1 59.56 58.67 4.19 o
2 -12 1 288.78 292.14 10.57 o
-2 -11 1 28.87 29.72 3.61 o
-1 -11 1 477.04 482.51 13.79 o
0 -11 1 106.78 107.64 6.24 o
1 -11 1 96.53 92.82 7.12 o
2 -11 1 334.14 339.93 16.33 o
-3 -10 1 466.67 432.29 18.75 o
-2 -10 1 0.04 1.81 1.82 o
-1 -10 1 1612.86 1643.29 39.33 o
0 -10 1 881.22 902.06 15.74 o
1 -10 1 7.24 11.00 2.14 o
2 -10 1 633.56 644.32 16.60 o
3 -10 1 102.18 105.19 8.47 o
-3 -9 1 295.23 292.43 10.24 o
-2 -9 1 9.90 11.15 2.12 o
-1 -9 1 546.37 518.30 13.43 o
0 -9 1 1369.52 1378.54 21.58 o
1 -9 1 90.67 99.34 19.04 o
2 -9 1 1486.59 1460.72 28.98 o
3 -9 1 25.98 27.36 3.48 o
-3 -8 1 191.69 186.98 7.56 o
-2 -8 1 50.14 52.08 3.55 o
-1 -8 1 468.08 469.59 12.03 o
0 -8 1 641.03 617.42 19.51 o
1 -8 1 609.52 578.81 13.35 o
2 -8 1 2594.70 2595.24 46.13 o
3 -8 1 200.57 181.01 7.38 o
-4 -7 1 271.04 263.49 13.45 o
-3 -7 1 446.63 447.49 9.91 o
-2 -7 1 9.37 10.18 1.37 o
-1 -7 1 1378.90 1384.85 26.48 o
0 -7 1 720.38 734.43 12.33 o
1 -7 1 40.52 39.85 1.99 o
2 -7 1 531.48 533.68 12.83 o
3 -7 1 49.45 49.23 3.66 o
-4 -6 1 248.78 255.75 13.08 o
-3 -6 1 575.69 573.19 11.41 o
-2 -6 1 0.18 4.15 2.69 o
-1 -6 1 1607.98 1610.42 19.88 o
0 -6 1 1169.24 1168.77 25.09 o
1 -6 1 264.21 243.98 5.22 o
2 -6 1 963.77 982.50 15.76 o
3 -6 1 53.62 51.95 2.82 o
4 -6 1 207.84 205.44 8.25 o
-4 -5 1 225.44 228.11 8.65 o
-3 -5 1 843.25 839.65 14.80 o
-2 -5 1 1.28 5.80 2.55 o
-1 -5 1 2395.32 2548.83 34.97 o
0 -5 1 2589.31 2573.73 52.70 o
1 -5 1 284.40 260.70 4.42 o
2 -5 1 2093.46 2068.23 31.38 o
3 -5 1 367.98 340.82 7.83 o
4 -5 1 62.73 60.44 3.47 o
-4 -4 1 67.01 77.56 4.77 o
-3 -4 1 520.72 518.57 10.18 o
-2 -4 1 0.54 1.32 0.85 o
-1 -4 1 4278.25 4480.82 50.93 o
0 -4 1 1869.60 1855.08 23.18 o
1 -4 1 770.86 770.23 10.00 o
2 -4 1 2332.51 2255.03 75.39 o
3 -4 1 167.05 162.94 4.90 o
4 -4 1 239.59 232.62 8.55 o
-4 -3 1 341.63 337.11 10.62 o
-3 -3 1 1966.03 1967.68 35.55 o
-2 -3 1 164.02 165.57 4.14 o
-1 -3 1 4570.48 4787.50 62.79 o
0 -3 1 5174.12 4964.36 56.32 o
1 -3 1 1234.66 1267.25 22.32 o
2 -3 1 3142.22 3126.46 44.12 o
3 -3 1 157.78 147.59 4.51 o
4 -3 1 281.61 280.00 9.86 o
-4 -2 1 366.81 355.68 10.89 o
-3 -2 1 3023.09 3081.17 52.64 o
-2 -2 1 323.31 342.67 5.40 o
-1 -2 1 4864.94 5065.15 57.38 o
0 -2 1 2255.77 2280.10 32.24 o
1 -2 1 1887.68 1869.26 21.70 o
2 -2 1 1979.88 2025.05 28.05 o
3 -2 1 166.77 155.94 4.53 o
4 -2 1 412.81 405.70 11.77 o
-4 -1 1 255.79 259.18 8.97 o
-3 -1 1 1610.86 1584.98 29.26 o
-2 -1 1 487.06 523.08 7.44 o
-1 -1 1 32548.90 28046.35 394.90 o
0 -1 1 6402.58 5111.95 425.17 o
1 -1 1 2071.43 2061.01 23.68 o
2 -1 1 3386.70 3456.54 39.81 o
3 -1 1 395.69 387.96 10.08 o
4 -1 1 393.02 397.12 11.62 o
-4 0 1 409.03 380.58 21.23 o
-3 0 1 1352.09 1326.15 25.16 o
-2 0 1 38.43 42.54 1.42 o
-1 0 1 4636.74 4789.66 54.34 o
0 0 1 3658.54 3212.24 54.61 o
1 0 1 1525.09 1518.73 14.83 o
2 0 1 6174.17 6141.50 69.30 o
3 0 1 38.51 38.20 5.14 o
4 0 1 465.33 462.78 12.73 o
-4 1 1 656.07 636.07 18.98 o
-3 1 1 638.26 673.39 11.87 o
-2 1 1 336.48 343.13 5.24 o
-1 1 1 8.25 5.09 1.00 o
0 1 1 984.51 1020.63 13.72 o
1 1 1 3647.42 3765.10 36.24 o
2 1 1 7210.83 7331.77 82.37 o
3 1 1 59.18 59.08 3.27 o
4 1 1 636.07 597.01 15.06 o
-4 2 1 665.70 674.33 16.67 o
-3 2 1 791.02 809.11 13.82 o
-2 2 1 9.88 11.10 1.25 o
-1 2 1 4264.85 4086.46 110.59 o
0 2 1 4419.55 4209.29 41.72 o
1 2 1 1.51 4.16 1.26 o
2 2 1 980.77 1024.49 12.92 o
3 2 1 302.08 300.31 8.37 o
4 2 1 360.39 356.54 10.81 o
-4 3 1 336.32 345.23 18.95 o
-3 3 1 742.00 704.55 13.72 o
-2 3 1 0.67 0.52 0.57 o
-1 3 1 5914.34 5711.19 64.46 o
0 3 1 843.72 892.54 10.81 o
1 3 1 651.07 633.68 9.59 o
2 3 1 1395.14 1395.11 24.85 o
3 3 1 285.50 276.18 8.11 o
4 3 1 257.94 258.46 8.94 o
-4 4 1 251.30 236.22 8.82 o
-3 4 1 1028.23 1040.49 17.15 o
-2 4 1 61.54 59.80 3.56 o
-1 4 1 3584.37 3526.17 40.32 o
0 4 1 2617.66 2567.55 29.56 o
1 4 1 456.16 468.84 7.74 o
2 4 1 2901.05 2975.33 40.64 o
3 4 1 318.64 302.04 7.86 o
4 4 1 207.97 200.26 7.77 o
-4 5 1 152.89 147.99 5.45 o
-3 5 1 845.49 849.76 14.87 o
-2 5 1 5.27 6.09 1.01 o
-1 5 1 2196.92 2109.11 25.00 o
0 5 1 611.49 568.45 7.75 o
1 5 1 977.38 1000.19 12.51 o
2 5 1 1933.42 1926.15 64.13 o
3 5 1 206.03 199.74 5.49 o
4 5 1 268.81 261.80 9.19 o
-4 6 1 473.45 490.58 17.80 o
-3 6 1 1173.01 1167.76 23.77 o
-2 6 1 1.27 1.52 0.73 o
-1 6 1 3339.32 3317.22 38.64 o
0 6 1 1560.29 1603.00 19.57 o
1 6 1 396.42 408.46 10.35 o
2 6 1 1592.26 1630.66 29.81 o
3 6 1 152.41 147.27 4.74 o
4 6 1 255.35 246.89 9.05 o
-4 7 1 371.77 363.44 11.77 o
-3 7 1 1078.88 1089.84 24.32 o
-2 7 1 22.61 20.45 1.84 o
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0 7 1 1425.27 1481.49 18.54 o
1 7 1 135.65 122.31 3.55 o
2 7 1 1156.40 1171.61 18.55 o
3 7 1 75.31 76.64 3.44 o
4 7 1 277.46 269.00 19.32 o
-3 8 1 378.85 365.02 9.78 o
-2 8 1 119.99 118.17 8.25 o
-1 8 1 2645.76 2647.85 32.03 o
0 8 1 657.49 671.90 9.76 o
1 8 1 783.06 764.03 12.87 o
2 8 1 1651.96 1670.13 25.38 o
3 8 1 179.55 162.73 5.33 o
-3 9 1 295.82 285.02 9.70 o
-2 9 1 7.83 11.02 1.99 o
-1 9 1 1074.82 1072.13 21.52 o
0 9 1 905.84 926.21 12.94 o
1 9 1 350.28 341.18 7.43 o
2 9 1 1527.84 1536.59 24.03 o
3 9 1 23.19 22.25 2.35 o
-3 10 1 154.70 153.82 8.77 o
-2 10 1 0.29 2.73 2.65 o
-1 10 1 266.37 282.70 8.73 o
0 10 1 933.98 978.26 16.48 o
1 10 1 138.74 143.71 6.10 o
2 10 1 1303.15 1298.00 49.65 o
3 10 1 1.57 3.75 1.93 o
-2 11 1 0.82 2.45 1.73 o
-1 11 1 509.14 506.49 13.30 o
0 11 1 525.04 540.92 13.86 o
1 11 1 210.17 209.15 7.93 o
2 11 1 629.17 629.69 16.40 o
-2 12 1 0.09 0.72 2.16 o
-1 12 1 805.19 814.27 18.97 o
0 12 1 176.14 184.06 7.43 o
1 12 1 247.11 253.60 9.31 o
2 12 1 215.49 220.32 8.96 o
-1 13 1 482.86 495.51 14.07 o
0 13 1 106.25 109.45 11.77 o
1 13 1 82.53 97.60 5.88 o
2 13 1 182.18 181.23 11.93 o
-1 14 1 169.38 175.29 11.70 o
0 14 1 30.26 36.62 5.85 o
1 14 1 71.33 78.48 7.92 o
0 -13 2 3.12 6.40 3.13 o
-1 -12 2 217.54 225.59 9.36 o
0 -12 2 4.03 6.94 2.04 o
1 -12 2 383.80 392.39 12.15 o
-2 -11 2 335.18 321.72 11.40 o
-1 -11 2 815.78 826.73 29.04 o
0 -11 2 33.85 31.49 3.48 o
1 -11 2 692.29 668.75 16.57 o
2 -11 2 256.03 259.31 9.63 o
-2 -10 2 187.19 186.79 7.96 o
-1 -10 2 1342.92 1424.09 29.50 o
0 -10 2 8.94 11.62 1.66 o
1 -10 2 1023.91 975.95 21.25 o
2 -10 2 100.09 104.99 5.59 o
-3 -9 2 18.92 21.25 3.16 o
-2 -9 2 158.41 161.76 6.95 o
-1 -9 2 491.16 481.80 12.99 o
0 -9 2 261.36 253.96 6.47 o
1 -9 2 1724.31 1699.49 54.39 o
2 -9 2 545.59 521.04 13.78 o
3 -9 2 87.64 85.61 5.24 o
-3 -8 2 81.44 77.60 5.80 o
-2 -8 2 708.07 683.21 16.46 o
-1 -8 2 437.48 438.36 11.70 o
0 -8 2 4.24 4.62 1.03 o
1 -8 2 174.52 176.38 6.27 o
2 -8 2 582.48 551.71 13.86 o
3 -8 2 74.64 75.12 4.72 o
-3 -7 2 69.42 71.16 4.35 o
-2 -7 2 781.12 750.83 17.05 o
-1 -7 2 700.38 722.81 16.05 o
0 -7 2 6.12 8.25 1.19 o
1 -7 2 478.84 466.06 8.95 o
2 -7 2 239.48 227.32 7.44 o
3 -7 2 109.77 110.97 5.51 o
-4 -6 2 476.83 487.88 19.39 o
-3 -6 2 55.26 54.75 2.91 o
-2 -6 2 723.99 737.84 12.90 o
-1 -6 2 2393.61 2400.09 42.58 o
0 -6 2 5.34 9.45 1.22 o
1 -6 2 2804.59 2693.55 45.70 o
2 -6 2 998.12 995.75 20.03 o
3 -6 2 17.75 16.47 2.41 o
4 -6 2 231.39 243.13 13.08 o
-4 -5 2 296.09 307.34 10.37 o
-3 -5 2 102.19 100.73 3.87 o
-2 -5 2 846.11 866.77 14.30 o
-1 -5 2 2401.28 2487.57 29.47 o
0 -5 2 9.09 14.37 2.53 o
1 -5 2 2971.28 3158.28 36.81 o
2 -5 2 940.39 962.89 15.24 o
3 -5 2 232.23 220.17 5.98 o
4 -5 2 364.05 395.21 17.04 o
-4 -4 2 608.49 584.29 15.46 o
-3 -4 2 274.47 271.20 6.71 o
-2 -4 2 1296.18 1339.32 20.12 o
-1 -4 2 4027.83 4275.33 48.88 o
0 -4 2 71.59 74.36 1.81 o
1 -4 2 5092.39 4940.92 56.11 o
2 -4 2 827.35 832.09 16.31 o
3 -4 2 311.04 291.86 6.96 o
4 -4 2 588.27 613.69 14.34 o
-4 -3 2 1048.60 964.84 21.62 o
-3 -3 2 574.80 533.12 12.91 o
-2 -3 2 915.86 921.68 24.24 o
-1 -3 2 4724.69 4951.14 56.04 o
0 -3 2 5.22 4.38 0.92 o
1 -3 2 3901.53 3902.34 44.43 o
2 -3 2 531.40 501.95 8.80 o
3 -3 2 397.94 395.17 10.69 o
4 -3 2 527.74 519.85 13.97 o
-4 -2 2 501.53 491.01 13.56 o
-3 -2 2 16.41 19.08 2.53 o
-2 -2 2 4754.35 5030.35 57.43 o
-1 -2 2 6462.75 6823.03 78.61 o
0 -2 2 625.42 681.31 11.28 o
1 -2 2 5906.78 5913.50 66.37 o
2 -2 2 1651.27 1691.59 31.82 o
3 -2 2 262.02 252.55 6.09 o
4 -2 2 535.63 517.46 15.91 o
-4 -1 2 463.94 442.46 12.55 o
-3 -1 2 84.20 78.90 3.99 o
-2 -1 2 2137.82 2241.51 26.66 o
-1 -1 2 6099.59 6377.92 71.47 o
0 -1 2 192.83 179.59 6.31 o
1 -1 2 7709.25 7250.16 82.24 o
2 -1 2 886.71 923.59 17.42 o
3 -1 2 119.14 113.69 3.75 o
4 -1 2 598.98 595.92 14.98 o
-4 0 2 441.90 444.66 12.65 o
-3 0 2 50.39 47.55 3.07 o
-2 0 2 225.51 217.67 3.91 o
-1 0 2 1018.61 987.75 12.59 o
0 0 2 1505.24 1559.29 22.46 o
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2 0 2 882.01 898.27 9.62 o
3 0 2 442.74 442.43 8.54 o
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0 1 2 392.98 368.11 5.63 o
1 1 2 111.40 97.62 1.55 o
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3 1 2 217.41 202.77 6.48 o
4 1 2 1279.20 1280.33 26.30 o
-4 2 2 771.84 762.46 18.22 o
-3 2 2 58.05 60.91 2.72 o
-2 2 2 3133.34 3195.07 42.93 o
-1 2 2 643.93 632.75 8.07 o
0 2 2 114.65 118.17 2.03 o
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2 2 2 2694.52 2767.55 32.20 o
3 2 2 220.88 222.18 6.92 o
4 2 2 864.97 879.64 19.82 o
-4 3 2 663.58 702.74 17.23 o
-3 3 2 4.80 6.41 1.14 o
-2 3 2 1687.92 1764.39 25.55 o
-1 3 2 4024.27 3970.19 38.25 o
0 3 2 181.29 197.03 2.60 o
1 3 2 7904.36 7626.66 109.69 o
2 3 2 974.60 982.14 14.90 o
3 3 2 335.69 317.38 6.93 o
4 3 2 620.31 588.51 14.93 o
-4 4 2 519.62 520.05 14.14 o
-3 4 2 101.82 114.35 15.92 o
-2 4 2 458.77 451.89 8.34 o
-1 4 2 2837.14 2810.10 37.40 o
0 4 2 125.95 137.62 2.61 o
1 4 2 5780.91 5564.74 72.62 o
2 4 2 1021.86 1035.11 15.82 o
3 4 2 336.48 331.98 7.29 o
4 4 2 428.81 440.66 26.53 o
-4 5 2 520.11 514.43 11.48 o
-3 5 2 163.96 156.79 4.92 o
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0 5 2 134.13 140.87 2.77 o
1 5 2 3490.82 3461.92 39.70 o
2 5 2 1046.13 1109.48 17.04 o
3 5 2 264.42 251.47 6.28 o
4 5 2 471.63 458.93 12.89 o
-4 6 2 557.31 569.05 12.48 o
-3 6 2 157.76 147.98 4.85 o
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0 6 2 120.56 162.63 6.63 o
1 6 2 2626.18 2577.97 39.85 o
2 6 2 445.97 454.96 8.65 o
3 6 2 332.97 312.28 7.39 o
4 6 2 567.81 562.87 27.31 o
-4 7 2 259.34 260.38 7.84 o
-3 7 2 38.51 39.90 2.76 o
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