#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:46:36 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181883 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/72/2107270.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_2107270
_cell_angle_alpha                90.000
_cell_angle_beta                 98.798
_cell_angle_gamma                90.000
_cell_length_a                   11.8465
_cell_length_b                   17.6887
_cell_length_c                   8.1762
_exptl_crystal_F_000             1320.00
_reflns_d_resolution_high        0.7253
_cod_data_source_file            ps5046shelxsup5.hkl
_cod_data_source_block           shelx
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' byan0003P21oc in P2(1)/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            659.86
_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 69263.11 60359.47 3844.82 o
3 0 0 45346.34 41965.36 1504.85 o
4 0 0 28049.93 26318.49 678.62 o
5 0 0 296367.97 277798.44 3381.02 o
6 0 0 15838.02 16866.51 594.30 o
7 0 0 35723.53 34620.30 1257.90 o
8 0 0 72087.62 76440.80 2939.20 o
9 0 0 289.16 111.17 244.03 o
10 0 0 34017.11 38499.68 2207.11 o
11 0 0 24029.93 28288.41 1941.39 o
12 0 0 23350.64 27108.94 1982.06 o
13 0 0 18151.53 20186.64 1813.95 o
14 0 0 921.00 2443.00 742.93 o
15 0 0 5515.87 7757.42 1230.99 o
2 1 0 19529.23 18592.22 1600.95 o
3 1 0 2195.75 2102.04 111.91 o
4 1 0 88975.73 83207.73 2117.69 o
5 1 0 44030.41 40351.26 856.16 o
6 1 0 196251.80 189627.33 4124.16 o
7 1 0 10364.68 10653.88 615.29 o
8 1 0 542.91 638.69 217.49 o
9 1 0 35110.53 36678.86 1451.54 o
10 1 0 21307.04 24105.09 1226.31 o
11 1 0 19435.70 22458.29 1235.09 o
12 1 0 980.80 1028.99 312.52 o
13 1 0 4517.11 5663.42 687.18 o
14 1 0 16125.91 17879.74 1269.15 o
15 1 0 3377.29 4162.05 913.75 o
2 2 0 9475.22 9041.33 394.51 o
3 2 0 11835.80 11265.78 340.09 o
4 2 0 4826.03 4191.81 409.43 o
5 2 0 102113.20 100170.84 1619.01 o
6 2 0 14237.27 13025.49 372.82 o
7 2 0 20849.40 21656.67 1107.43 o
8 2 0 8583.89 8687.09 500.67 o
9 2 0 4315.66 5381.16 525.80 o
10 2 0 16491.82 17384.09 1031.53 o
11 2 0 22032.48 27489.29 1373.90 o
12 2 0 6854.61 7705.04 746.76 o
13 2 0 3244.34 3289.29 525.54 o
14 2 0 5077.64 5434.68 698.31 o
15 2 0 2816.38 4568.77 976.12 o
1 3 0 62334.87 68314.62 1586.19 o
2 3 0 14999.74 14914.89 277.23 o
3 3 0 539.89 1534.19 157.10 o
4 3 0 47429.60 47239.23 1988.07 o
5 3 0 14563.72 14162.06 381.49 o
6 3 0 12965.72 12468.69 410.39 o
7 3 0 12366.86 12685.42 421.49 o
8 3 0 6443.40 5588.41 399.92 o
9 3 0 9798.23 10109.70 570.96 o
10 3 0 18752.14 21218.21 1149.32 o
11 3 0 5272.10 5402.78 622.15 o
12 3 0 4671.94 6284.39 1019.50 o
13 3 0 2851.63 3332.78 528.51 o
14 3 0 674.87 787.77 404.00 o
15 3 0 8518.09 9308.36 1290.64 o
0 4 0 3978.57 4197.30 344.35 o
1 4 0 40022.86 42596.66 1239.13 o
2 4 0 42822.31 42853.32 1059.19 o
3 4 0 4805.63 4460.08 170.52 o
4 4 0 1768.49 2307.11 172.10 o
5 4 0 10285.89 9953.10 308.71 o
6 4 0 12433.72 11139.20 418.17 o
7 4 0 2877.83 3113.66 247.10 o
8 4 0 1453.59 1163.15 190.19 o
9 4 0 23560.48 25252.54 963.97 o
10 4 0 17083.02 17814.09 1348.94 o
11 4 0 3106.25 3980.06 551.22 o
12 4 0 762.07 1473.96 383.99 o
13 4 0 2926.24 3071.13 563.98 o
14 4 0 12042.72 14667.17 1150.78 o
15 4 0 1464.00 2264.05 658.88 o
1 5 0 34101.00 38418.33 1244.55 o
2 5 0 8119.93 8146.50 250.49 o
3 5 0 85455.05 92681.37 1084.37 o
4 5 0 106475.98 110148.31 1862.03 o
5 5 0 4793.22 4580.03 234.75 o
6 5 0 7301.30 7388.82 293.94 o
7 5 0 8296.73 8483.33 339.43 o
8 5 0 53711.02 50834.88 980.99 o
9 5 0 18182.82 19266.65 798.68 o
10 5 0 4250.14 4644.59 416.20 o
11 5 0 8599.25 9771.85 805.73 o
12 5 0 18.95 161.91 201.60 o
13 5 0 4509.22 5759.11 686.77 o
14 5 0 49.90 627.16 255.81 o
15 5 0 9928.76 10761.69 1334.03 o
0 6 0 26662.70 31205.91 1187.61 o
1 6 0 2180.27 2499.94 300.97 o
2 6 0 178296.56 181874.16 3846.89 o
3 6 0 116212.44 120939.20 1983.82 o
4 6 0 10614.98 9916.11 345.29 o
5 6 0 50942.10 49879.77 869.42 o
6 6 0 3561.99 3260.10 219.00 o
7 6 0 36804.45 36902.65 736.53 o
8 6 0 5269.85 5167.88 279.52 o
9 6 0 34941.55 33898.93 901.83 o
10 6 0 38519.81 40174.03 1244.33 o
11 6 0 4532.15 4917.52 449.20 o
12 6 0 4869.14 5291.91 612.86 o
13 6 0 242.04 96.48 417.56 o
14 6 0 10899.63 13009.22 1061.19 o
1 7 0 100608.02 111001.91 2031.98 o
2 7 0 54999.96 55955.02 3195.67 o
3 7 0 126874.59 138738.42 1832.97 o
4 7 0 117317.59 121914.37 1700.72 o
5 7 0 4028.07 4446.87 242.91 o
6 7 0 39412.34 39768.80 867.65 o
7 7 0 9712.55 10387.06 482.94 o
8 7 0 74920.16 72798.12 2291.86 o
9 7 0 26157.04 25256.87 992.49 o
10 7 0 485.75 678.06 198.42 o
11 7 0 21468.53 22844.84 1033.82 o
12 7 0 2023.94 2045.15 421.95 o
13 7 0 12302.32 15733.14 1184.90 o
0 8 0 62086.18 68813.52 2169.15 o
1 8 0 32191.93 35774.68 1453.33 o
2 8 0 130150.65 142162.52 3505.89 o
3 8 0 63911.02 66433.71 1670.39 o
4 8 0 43780.26 44939.62 1021.33 o
5 8 0 29374.95 32344.41 780.06 o
6 8 0 7244.11 7024.16 326.27 o
7 8 0 62046.52 65577.51 2209.63 o
8 8 0 8866.04 8954.17 420.34 o
9 8 0 17091.59 16942.15 614.79 o
10 8 0 8538.08 8301.20 531.90 o
11 8 0 1795.55 1946.13 301.09 o
12 8 0 19916.05 20877.73 1544.16 o
13 8 0 448.97 246.74 447.39 o
1 9 0 15872.25 18603.50 759.79 o
2 9 0 50109.89 55001.15 2630.09 o
3 9 0 40558.95 44771.23 1713.63 o
4 9 0 476.37 726.66 227.76 o
5 9 0 7304.93 7969.23 384.66 o
6 9 0 33863.74 34110.37 871.09 o
7 9 0 16935.69 17753.37 719.24 o
8 9 0 31227.84 32219.99 1108.18 o
9 9 0 487.25 613.82 150.82 o
10 9 0 2636.51 2530.69 284.52 o
11 9 0 8874.42 8216.15 1334.03 o
12 9 0 5.81 547.71 460.94 o
13 9 0 18769.58 21330.86 2166.44 o
0 10 0 5367.41 5764.51 601.94 o
1 10 0 57217.94 64485.80 1925.12 o
2 10 0 2470.03 2977.16 444.68 o
3 10 0 559.24 322.66 178.95 o
4 10 0 35669.50 37326.21 1237.98 o
5 10 0 687.15 638.23 519.24 o
6 10 0 1941.84 2123.45 209.89 o
7 10 0 39869.27 41477.05 1044.38 o
8 10 0 796.66 1067.90 181.28 o
9 10 0 6553.22 6706.06 401.34 o
10 10 0 3785.60 3927.77 316.75 o
11 10 0 4378.76 4791.11 965.27 o
12 10 0 30041.36 38727.44 2912.08 o
13 10 0 72.50 821.57 607.36 o
1 11 0 5114.10 5878.76 464.70 o
2 11 0 31453.41 32937.83 1170.47 o
3 11 0 14203.03 14720.38 1043.90 o
4 11 0 13487.85 15226.26 799.64 o
5 11 0 23035.97 25210.05 1319.11 o
6 11 0 27776.49 30370.21 1188.10 o
7 11 0 10071.89 10091.38 474.40 o
8 11 0 11952.55 13034.22 586.73 o
9 11 0 8836.94 7770.10 925.61 o
10 11 0 4053.73 3562.83 805.30 o
11 11 0 4132.48 6331.20 1125.25 o
12 11 0 574.68 1328.60 688.70 o
0 12 0 27436.41 30227.08 1597.04 o
1 12 0 41114.36 45070.41 1413.83 o
2 12 0 11559.25 12113.06 726.62 o
3 12 0 4604.92 5591.19 500.31 o
4 12 0 30856.14 34199.78 1284.30 o
5 12 0 5956.59 6455.94 544.63 o
6 12 0 2689.47 3642.38 424.75 o
7 12 0 38631.90 41098.49 1483.09 o
8 12 0 4037.64 3861.39 477.51 o
9 12 0 5402.29 5817.05 579.38 o
10 12 0 397.90 1572.63 650.74 o
11 12 0 1160.36 992.39 591.09 o
12 12 0 25554.23 27241.79 2505.37 o
1 13 0 43699.32 44547.48 2692.19 o
2 13 0 43775.72 43376.57 1790.96 o
3 13 0 46827.20 50154.43 1601.10 o
4 13 0 9576.89 9543.82 695.33 o
5 13 0 1040.53 1023.93 259.24 o
6 13 0 37676.76 39532.75 1473.93 o
7 13 0 16494.03 19189.67 1018.89 o
8 13 0 23029.50 23805.93 1168.32 o
9 13 0 3184.02 3877.35 930.02 o
10 13 0 686.74 965.27 610.07 o
11 13 0 15000.16 16206.25 1892.58 o
12 13 0 421.64 707.68 574.82 o
0 14 0 43326.80 44625.44 1369.27 o
1 14 0 8184.17 8300.64 344.03 o
2 14 0 69551.38 65929.24 4692.05 o
3 14 0 49088.33 51177.61 1353.73 o
4 14 0 11501.25 12731.29 808.41 o
5 14 0 42555.95 46221.41 1623.03 o
6 14 0 4877.65 5877.96 577.77 o
7 14 0 38735.62 41268.47 2097.30 o
8 14 0 7402.06 7329.01 1125.25 o
9 14 0 9689.56 10769.82 1439.77 o
10 14 0 15246.94 18180.18 1954.95 o
11 14 0 873.78 2467.41 892.06 o
1 15 0 32196.36 33878.27 739.16 o
2 15 0 7431.85 7394.98 499.56 o
3 15 0 32013.54 33338.41 1638.32 o
4 15 0 52904.62 51842.39 2449.58 o
5 15 0 812.84 609.85 214.71 o
6 15 0 12550.60 14054.40 1066.95 o
7 15 0 96.05 -4.19 185.09 o
8 15 0 25647.28 30975.44 2358.95 o
9 15 0 11345.42 12884.74 1632.28 o
10 15 0 639.33 1225.57 599.23 o
11 15 0 9826.55 9503.58 1494.00 o
0 16 0 2729.45 2817.68 311.95 o
1 16 0 2762.92 2576.39 286.17 o
2 16 0 37549.89 37212.09 1159.21 o
3 16 0 13925.21 13626.71 826.57 o
4 16 0 2083.17 2397.15 324.97 o
5 16 0 7758.59 8865.55 714.57 o
6 16 0 210.60 213.68 208.78 o
7 16 0 6602.31 5666.90 997.81 o
8 16 0 118.82 629.05 479.92 o
9 16 0 11636.03 12507.85 1648.55 o
10 16 0 12437.12 13218.25 1678.38 o
11 16 0 41.21 140.99 463.66 o
1 17 0 5127.48 4917.81 547.18 o
2 17 0 2102.67 2177.74 262.86 o
3 17 0 7704.79 6897.77 511.43 o
4 17 0 11681.24 10821.88 679.44 o
5 17 0 256.05 45.80 167.53 o
6 17 0 626.11 1315.32 437.90 o
7 17 0 8259.93 8776.92 1230.99 o
8 17 0 7147.65 8009.58 1271.66 o
9 17 0 4582.19 3514.02 881.22 o
10 17 0 2734.00 2394.20 745.64 o
0 18 0 2421.19 2250.49 507.04 o
1 18 0 5856.07 5922.48 624.89 o
2 18 0 1640.38 1532.50 361.31 o
3 18 0 2238.04 1950.70 747.00 o
4 18 0 225.36 29.33 166.05 o
5 18 0 8104.12 7583.79 592.98 o
6 18 0 5444.24 5519.76 670.82 o
7 18 0 1613.31 2410.47 729.38 o
8 18 0 415.41 450.10 349.78 o
9 18 0 5580.77 4679.94 1035.77 o
10 18 0 4452.38 4067.15 924.60 o
1 19 0 19983.11 19191.59 1146.45 o
2 19 0 146.39 249.18 239.95 o
3 19 0 2042.77 1571.78 348.54 o
4 19 0 12748.83 13232.87 964.15 o
5 19 0 3300.52 2369.79 667.01 o
6 19 0 10230.13 9641.87 1260.82 o
7 19 0 356.79 366.04 317.24 o
8 19 0 1637.70 1447.91 593.80 o
9 19 0 4989.77 3581.81 932.73 o
10 19 0 3103.37 4048.17 981.54 o
0 20 0 58281.57 53423.42 2868.70 o
1 20 0 1412.11 1329.91 329.64 o
2 20 0 7433.26 6337.87 687.80 o
3 20 0 5901.27 5657.14 655.63 o
4 20 0 1520.54 1468.18 336.38 o
5 20 0 29588.65 26488.02 2095.94 o
6 20 0 774.58 1087.29 585.67 o
1 21 0 39523.23 36459.77 1701.57 o
2 21 0 3681.32 3673.58 563.33 o
3 21 0 258.31 766.52 313.17 o
4 21 0 17839.70 16477.39 1648.55 o
0 22 0 51135.81 43277.23 2711.44 o
1 22 0 2701.25 2900.37 544.73 o
2 22 0 2862.41 2150.42 417.85 o
1 23 0 8354.50 6111.58 1081.86 o
0 24 0 4931.04 4237.97 1000.52 o
-15 1 1 242.63 577.39 751.07 o
-14 1 1 258.69 40.08 256.23 o
-13 1 1 76.59 333.79 296.10 o
-12 1 1 3176.57 4658.14 600.66 o
-11 1 1 5627.08 5648.24 640.97 o
-10 1 1 7.21 313.10 257.59 o
-9 1 1 483.61 826.29 190.92 o
-8 1 1 15024.79 13663.12 554.74 o
-7 1 1 185.20 192.68 84.14 o
-6 1 1 2894.03 2712.34 178.23 o
-5 1 1 1172.34 1212.12 114.69 o
-4 1 1 19817.94 19958.55 495.56 o
-3 1 1 117342.64 116046.56 1458.66 o
-2 1 1 789.83 827.72 110.76 o
1 1 1 3046.24 3135.17 148.97 o
2 1 1 38288.46 38224.07 704.71 o
3 1 1 4599.86 4568.72 352.23 o
4 1 1 11627.54 10670.25 541.25 o
5 1 1 23200.96 21301.27 596.76 o
6 1 1 357.29 330.56 106.85 o
7 1 1 3261.09 2726.90 218.83 o
8 1 1 6258.29 6040.83 408.41 o
9 1 1 6245.70 6374.51 934.09 o
10 1 1 8066.11 8512.73 958.49 o
11 1 1 750.23 1215.58 347.17 o
12 1 1 1679.02 2744.90 479.31 o
13 1 1 4.56 18.29 180.81 o
14 1 1 39.48 552.01 307.29 o
-15 2 1 180.90 116.40 479.92 o
-14 2 1 218.56 501.26 235.75 o
-13 2 1 61.73 -114.98 245.89 o
-12 2 1 1187.29 1687.37 415.01 o
-11 2 1 14444.00 16012.28 1052.20 o
-10 2 1 11808.54 13545.19 726.06 o
-9 2 1 21776.41 23625.86 1084.27 o
-8 2 1 1055.15 884.17 206.43 o
-7 2 1 2094.08 2274.80 314.60 o
-6 2 1 35665.09 32985.29 1350.29 o
-5 2 1 14996.40 14829.36 600.40 o
-4 2 1 10880.38 10425.96 450.68 o
-3 2 1 27753.54 26974.90 805.30 o
-2 2 1 44724.00 41910.89 1948.17 o
-1 2 1 167.73 117.78 60.55 o
0 2 1 2784.85 3061.21 233.18 o
1 2 1 352.48 310.03 231.83 o
2 2 1 70462.80 69713.97 4088.85 o
3 2 1 110093.69 106895.08 2036.92 o
4 2 1 12947.55 12519.45 325.73 o
5 2 1 4954.43 4439.74 295.75 o
6 2 1 9230.08 8560.43 343.12 o
7 2 1 7802.76 7504.54 399.39 o
8 2 1 5709.56 5486.19 383.76 o
9 2 1 562.88 477.00 193.76 o
10 2 1 2174.18 2582.66 855.46 o
11 2 1 18598.60 20579.29 1181.49 o
12 2 1 46.15 759.78 550.42 o
13 2 1 948.53 869.69 292.41 o
14 2 1 1244.85 1056.30 340.79 o
-15 3 1 140.51 170.82 322.66 o
-14 3 1 5837.89 6581.32 789.53 o
-13 3 1 0.57 -280.97 280.97 o
-12 3 1 6161.61 6119.22 701.82 o
-11 3 1 5692.68 6439.34 525.90 o
-10 3 1 445.85 642.93 191.57 o
-9 3 1 943.71 1149.29 218.94 o
-8 3 1 19414.80 19180.70 878.00 o
-7 3 1 6.34 246.52 149.13 o
-6 3 1 2765.94 2646.20 234.50 o
-5 3 1 19741.35 19797.53 707.15 o
-4 3 1 4561.04 4541.30 208.91 o
-3 3 1 153542.25 155815.36 3367.60 o
-2 3 1 21987.70 23744.04 894.77 o
-1 3 1 5075.95 5398.47 382.31 o
0 3 1 1446.09 1722.54 128.39 o
1 3 1 474.17 459.48 91.68 o
2 3 1 59269.02 56671.90 1312.10 o
3 3 1 35873.46 35058.79 710.12 o
4 3 1 4100.18 4187.52 172.11 o
5 3 1 14842.54 13365.95 487.48 o
6 3 1 15418.56 15027.39 473.12 o
7 3 1 26.92 -34.44 86.79 o
8 3 1 28858.94 25675.99 1727.86 o
9 3 1 2269.28 2443.03 393.16 o
10 3 1 17872.10 19297.25 1075.80 o
11 3 1 1915.96 2170.77 392.74 o
12 3 1 449.92 345.61 241.64 o
13 3 1 1430.83 1939.90 452.83 o
14 3 1 1412.72 1954.11 439.54 o
15 3 1 477.89 620.92 452.81 o
-15 4 1 1040.21 1835.64 661.59 o
-14 4 1 37.99 627.87 326.39 o
-13 4 1 3418.03 4013.61 582.16 o
-12 4 1 172.49 260.39 474.50 o
-11 4 1 14653.92 16378.46 966.63 o
-10 4 1 652.40 550.88 165.47 o
-9 4 1 4295.63 4765.13 403.59 o
-8 4 1 18713.67 19162.43 2376.57 o
-7 4 1 971.97 1018.03 189.55 o
-6 4 1 35979.80 35110.46 714.44 o
-5 4 1 21424.36 20763.73 647.70 o
-4 4 1 6047.72 6077.01 361.96 o
-3 4 1 111.71 367.45 117.34 o
-2 4 1 12249.56 13104.37 683.28 o
-1 4 1 30779.74 33499.79 1160.49 o
0 4 1 114000.85 123963.36 1471.60 o
1 4 1 4372.08 4401.01 180.07 o
2 4 1 29276.86 27479.26 571.14 o
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4 4 1 400.57 290.54 83.47 o
5 4 1 63610.29 62913.23 2368.19 o
6 4 1 624.34 606.82 91.73 o
7 4 1 6728.30 7260.74 355.00 o
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10 4 1 2962.23 2932.58 437.39 o
11 4 1 4840.02 4993.18 590.87 o
12 4 1 35.81 293.71 190.18 o
13 4 1 5317.96 5828.79 685.76 o
14 4 1 3133.64 3992.64 587.30 o
15 4 1 50.22 -89.48 246.74 o
-15 5 1 830.14 1195.74 528.73 o
-14 5 1 9639.81 10853.60 1007.00 o
-13 5 1 122.72 437.89 310.42 o
-12 5 1 45.43 9.49 152.42 o
-11 5 1 1584.10 1762.81 279.12 o
-10 5 1 2671.92 3067.66 353.22 o
-9 5 1 24545.34 25200.83 1469.74 o
-8 5 1 3585.23 3451.91 360.20 o
-7 5 1 2100.70 2172.36 203.39 o
-6 5 1 25037.67 23052.36 558.44 o
-5 5 1 18731.67 18795.21 571.98 o
-4 5 1 25333.78 24447.24 1099.02 o
-3 5 1 13.08 25.03 77.49 o
-2 5 1 12022.81 12410.24 702.26 o
-1 5 1 135338.89 148531.33 2393.55 o
0 5 1 12343.05 13534.67 330.59 o
1 5 1 46337.43 47970.48 1070.77 o
2 5 1 653.61 625.33 72.98 o
3 5 1 16777.15 16759.64 334.85 o
4 5 1 48099.71 45811.71 2249.75 o
5 5 1 538.68 601.48 84.63 o
6 5 1 12984.96 12842.21 382.58 o
7 5 1 1442.66 1375.61 140.41 o
8 5 1 19984.66 18212.55 613.17 o
9 5 1 15030.64 12825.90 547.33 o
10 5 1 18.53 -75.20 139.80 o
11 5 1 1268.39 1216.96 323.02 o
12 5 1 94.19 509.38 239.94 o
13 5 1 5199.93 7634.76 802.28 o
14 5 1 4834.10 5731.98 935.45 o
15 5 1 24.66 -86.77 330.80 o
-14 6 1 216.54 10.90 197.22 o
-13 6 1 2002.28 2160.11 489.88 o
-12 6 1 1542.33 1565.31 299.07 o
-11 6 1 1809.26 1547.70 274.68 o
-10 6 1 17722.30 18263.06 1210.08 o
-9 6 1 1683.99 1535.86 228.44 o
-8 6 1 2371.46 2681.36 241.96 o
-7 6 1 2113.22 2137.93 212.51 o
-6 6 1 5246.82 4717.36 244.50 o
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