#------------------------------------------------------------------------------
#$Date: 2016-04-06 19:41:49 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181913 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/12/2241214.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_2241214
_cell_angle_alpha                90.000
_cell_angle_beta                 105.949
_cell_angle_gamma                90.000
_cell_length_a                   7.8752
_cell_length_b                   18.3795
_cell_length_c                   10.4445
_exptl_crystal_F_000             968.00
_reflns_d_resolution_high        0.7837
_cod_data_source_file            vn2102Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' chouri1 in P 21/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            332.13
_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
1 0 0 67776.68 71799.71 5405.00 o
2 0 0 24660.74 23247.91 261.40 o
3 0 0 1483.64 1819.50 99.28 o
4 0 0 10319.90 9547.25 231.01 o
5 0 0 26062.52 27276.08 462.79 o
6 0 0 41129.89 43961.39 667.48 o
7 0 0 14043.52 16434.17 443.70 o
8 0 0 2306.18 2842.21 223.98 o
9 0 0 254.89 310.97 158.82 o
1 1 0 11949.12 10220.21 95.82 o
2 1 0 1642.77 1345.10 48.98 o
3 1 0 20986.14 19401.42 206.86 o
4 1 0 7478.98 7136.23 144.20 o
5 1 0 3922.48 4068.24 158.70 o
6 1 0 2751.45 3033.91 159.76 o
7 1 0 27.89 46.78 77.30 o
8 1 0 387.76 309.23 60.00 o
9 1 0 929.75 1069.60 65.16 o
0 2 0 29644.80 31593.82 139.19 o
1 2 0 19303.68 20631.00 976.18 o
2 2 0 436.86 497.19 38.86 o
3 2 0 1786.15 1704.44 86.72 o
4 2 0 2945.98 2551.96 131.16 o
5 2 0 7816.08 7384.17 232.23 o
6 2 0 12140.47 12360.96 339.78 o
7 2 0 4079.68 4780.65 244.22 o
8 2 0 92.97 20.28 127.63 o
9 2 0 150.31 142.91 156.94 o
1 3 0 36050.39 38291.95 1832.85 o
2 3 0 19328.16 17406.91 211.21 o
3 3 0 56990.13 56986.00 532.28 o
4 3 0 32541.79 31901.12 429.29 o
5 3 0 14581.92 14812.82 322.35 o
6 3 0 833.61 852.31 63.84 o
7 3 0 1749.27 2096.50 140.77 o
8 3 0 4558.83 5414.62 272.66 o
9 3 0 7928.07 10081.38 396.58 o
0 4 0 29984.35 30467.64 175.69 o
1 4 0 1369.81 1502.32 96.28 o
2 4 0 25820.24 24324.25 243.83 o
3 4 0 690.94 903.47 72.05 o
4 4 0 3510.21 3466.88 135.99 o
5 4 0 758.81 707.64 58.37 o
6 4 0 2738.92 2775.37 168.33 o
7 4 0 2533.11 2619.01 193.75 o
8 4 0 2216.31 2725.87 191.81 o
9 4 0 1357.30 1695.40 139.50 o
1 5 0 290.16 262.00 13.04 o
2 5 0 17535.72 17464.96 197.17 o
3 5 0 17897.56 16410.95 245.32 o
4 5 0 13535.24 12620.61 253.93 o
5 5 0 3035.06 2866.30 149.96 o
6 5 0 31.60 172.39 74.07 o
7 5 0 386.28 441.06 51.45 o
8 5 0 4090.17 4212.96 237.91 o
9 5 0 4297.24 4628.64 268.18 o
0 6 0 2844.37 3181.06 62.80 o
1 6 0 22992.33 23352.11 1112.88 o
2 6 0 9933.41 10026.42 148.16 o
3 6 0 801.97 857.79 65.97 o
4 6 0 6411.05 5829.14 172.09 o
5 6 0 16465.25 15431.61 313.54 o
6 6 0 12915.48 12626.12 313.54 o
7 6 0 9951.68 10381.76 313.01 o
8 6 0 6927.86 6797.14 284.46 o
9 6 0 690.57 626.58 76.40 o
1 7 0 6882.42 6827.59 74.46 o
2 7 0 9369.50 8778.97 139.83 o
3 7 0 8092.72 7965.65 164.30 o
4 7 0 1611.89 1369.46 95.15 o
5 7 0 995.08 950.21 82.88 o
6 7 0 557.89 535.59 45.06 o
7 7 0 4179.52 4306.33 210.33 o
8 7 0 942.95 1020.93 73.62 o
9 7 0 681.31 709.54 74.66 o
0 8 0 18221.21 17955.23 176.95 o
1 8 0 34195.14 34156.18 1408.85 o
2 8 0 16490.81 16054.11 199.34 o
3 8 0 1041.57 1189.05 73.87 o
4 8 0 2188.20 1929.65 102.52 o
5 8 0 8709.07 7958.22 222.23 o
6 8 0 3378.09 3301.26 169.57 o
7 8 0 4431.75 4811.26 215.77 o
8 8 0 5292.15 4735.05 245.67 o
9 8 0 31.67 9.53 128.37 o
1 9 0 15732.04 16016.67 206.92 o
2 9 0 56152.40 54340.76 411.56 o
3 9 0 33149.00 35267.45 368.42 o
4 9 0 29780.97 26931.25 371.64 o
5 9 0 10403.74 9577.96 249.41 o
6 9 0 16.24 67.39 80.47 o
7 9 0 1328.79 1285.61 110.32 o
8 9 0 4995.25 5049.35 240.59 o
0 10 0 1088.30 999.23 54.11 o
1 10 0 5014.91 5551.22 108.62 o
2 10 0 973.07 1175.88 64.41 o
3 10 0 397.06 547.05 41.85 o
4 10 0 866.78 741.20 59.95 o
5 10 0 970.20 779.41 62.21 o
6 10 0 2095.13 1856.45 133.25 o
7 10 0 638.83 627.59 52.96 o
8 10 0 131.12 203.90 49.22 o
1 11 0 7869.08 8098.44 206.03 o
2 11 0 17434.41 16510.55 226.96 o
3 11 0 13059.67 13311.78 225.39 o
4 11 0 8206.59 8027.66 202.98 o
5 11 0 4338.46 3544.41 163.26 o
6 11 0 65.65 177.43 85.94 o
7 11 0 700.46 658.70 56.44 o
8 11 0 2472.77 2214.05 147.81 o
0 12 0 41866.87 43486.24 361.61 o
1 12 0 40992.68 41458.19 921.55 o
2 12 0 11292.08 10661.73 189.28 o
3 12 0 7.38 51.02 47.47 o
4 12 0 483.96 462.79 40.02 o
5 12 0 8581.10 7344.94 229.79 o
6 12 0 13454.95 11807.23 311.74 o
7 12 0 8574.07 8019.47 283.65 o
8 12 0 3214.61 3158.31 190.18 o
1 13 0 522.86 640.08 117.87 o
2 13 0 979.29 911.83 70.78 o
3 13 0 27.96 82.64 57.00 o
4 13 0 1933.78 2073.14 112.02 o
5 13 0 766.01 747.63 50.14 o
6 13 0 433.78 322.92 48.76 o
7 13 0 1263.66 1131.02 99.11 o
8 13 0 83.34 75.72 109.86 o
0 14 0 14462.65 14719.83 221.68 o
1 14 0 3265.60 3288.06 77.61 o
2 14 0 1970.43 2012.51 103.02 o
3 14 0 84.83 83.79 64.46 o
4 14 0 1494.76 1498.93 108.79 o
5 14 0 3603.60 3230.90 168.98 o
6 14 0 7495.91 6694.19 245.11 o
7 14 0 4185.70 3760.55 211.35 o
1 15 0 518.48 697.58 65.86 o
2 15 0 9153.49 8839.73 192.04 o
3 15 0 14368.80 14241.67 267.39 o
4 15 0 6343.84 6148.67 197.42 o
5 15 0 2072.78 1829.26 133.51 o
6 15 0 294.61 167.17 93.39 o
7 15 0 148.54 147.41 52.51 o
0 16 0 169.56 233.60 28.69 o
1 16 0 849.69 961.43 79.08 o
2 16 0 305.61 250.74 32.26 o
3 16 0 269.66 294.99 37.46 o
4 16 0 278.71 217.39 39.89 o
5 16 0 589.36 618.07 48.01 o
6 16 0 4.00 21.48 88.70 o
7 16 0 35.71 -107.50 107.50 o
1 17 0 1902.30 2037.67 76.90 o
2 17 0 4087.53 3839.00 148.80 o
3 17 0 14370.20 15020.22 289.78 o
4 17 0 5415.98 5324.57 195.49 o
5 17 0 1247.82 1157.67 99.11 o
6 17 0 48.73 -37.08 107.94 o
0 18 0 8223.71 8620.94 208.96 o
1 18 0 5384.52 5836.80 126.21 o
2 18 0 3278.13 3218.67 142.25 o
3 18 0 16.97 -39.50 82.55 o
4 18 0 2953.44 2987.54 163.75 o
5 18 0 3638.54 3260.26 178.09 o
6 18 0 3215.86 2714.96 178.96 o
1 19 0 257.53 294.87 27.12 o
2 19 0 6.17 95.88 73.62 o
3 19 0 34.82 21.05 78.31 o
4 19 0 35.80 91.74 81.26 o
5 19 0 3.05 14.29 89.48 o
0 20 0 9024.25 9905.27 240.23 o
1 20 0 7922.46 8924.12 164.95 o
2 20 0 3408.45 3555.17 162.52 o
3 20 0 99.95 -5.64 93.75 o
4 20 0 1252.91 1489.84 112.48 o
5 20 0 2083.89 2169.40 160.92 o
1 21 0 2333.85 2294.59 102.38 o
2 21 0 3555.35 3683.38 175.77 o
3 21 0 4970.46 5585.44 212.68 o
4 21 0 3885.25 4131.78 200.94 o
0 22 0 9.35 -65.83 81.77 o
1 22 0 25.71 78.51 59.95 o
2 22 0 0.53 89.56 76.65 o
3 22 0 307.08 356.70 52.02 o
1 23 0 1086.09 1174.49 69.12 o
-9 1 1 5313.89 6248.75 227.63 o
-8 1 1 7151.41 7722.05 227.84 o
-7 1 1 17899.52 19660.07 392.41 o
-6 1 1 6769.01 7135.38 178.48 o
-5 1 1 119.00 129.69 58.60 o
-4 1 1 21725.05 21048.60 284.50 o
-3 1 1 63787.43 60567.03 1000.41 o
-2 1 1 45177.52 40644.11 267.58 o
-1 1 1 59368.96 53171.54 1421.76 o
0 1 1 23797.73 24249.58 428.52 o
1 1 1 4632.46 4147.69 148.05 o
2 1 1 15732.44 14862.47 515.20 o
3 1 1 30913.27 31385.32 886.61 o
4 1 1 11282.70 11830.25 201.09 o
5 1 1 9589.10 10324.91 299.65 o
6 1 1 12304.34 13200.37 255.14 o
7 1 1 154.90 100.84 85.79 o
8 1 1 530.94 632.04 51.89 o
9 1 1 1848.23 2327.10 126.50 o
-9 2 1 136.47 244.28 146.71 o
-8 2 1 162.64 287.92 145.61 o
-7 2 1 8224.84 8986.72 309.81 o
-6 2 1 22823.64 24104.94 458.46 o
-5 2 1 26725.33 25585.16 428.84 o
-4 2 1 58710.69 50818.58 574.18 o
-3 2 1 10846.41 9073.24 191.56 o
-2 2 1 1235.17 1185.70 64.04 o
-1 2 1 25385.93 27879.56 807.11 o
0 2 1 23326.58 24612.32 728.58 o
1 2 1 77197.51 81038.18 13671.52 o
2 2 1 65260.38 66037.59 529.28 o
3 2 1 29316.95 28905.44 372.73 o
4 2 1 135.97 145.90 29.30 o
5 2 1 164.17 210.84 36.68 o
6 2 1 9796.24 10344.63 311.31 o
7 2 1 12172.30 13647.70 400.45 o
8 2 1 3438.79 4102.28 259.88 o
9 2 1 3170.27 4195.31 282.56 o
-9 3 1 19.69 -22.17 137.38 o
-8 3 1 62.82 171.71 114.45 o
-7 3 1 498.47 598.95 57.82 o
-6 3 1 3303.52 3479.06 178.90 o
-5 3 1 4.90 38.11 64.18 o
-4 3 1 6723.93 6358.87 183.35 o
-3 3 1 525.07 608.07 45.43 o
-2 3 1 2393.53 2259.75 76.71 o
-1 3 1 21.13 215.59 11.61 o
0 3 1 1283.83 1247.78 21.82 o
1 3 1 11900.76 12746.23 632.25 o
2 3 1 64813.40 59009.04 466.04 o
3 3 1 3867.13 4157.11 133.17 o
4 3 1 161.24 116.01 63.73 o
5 3 1 586.46 693.96 54.40 o
6 3 1 119.80 72.80 93.86 o
7 3 1 287.19 289.73 116.72 o
8 3 1 685.32 757.40 71.90 o
9 3 1 12.53 -81.25 158.08 o
-9 4 1 908.28 1110.68 92.80 o
-8 4 1 104.33 90.29 118.45 o
-7 4 1 3071.93 3436.55 199.05 o
-6 4 1 8147.14 8304.84 256.57 o
-5 4 1 8398.19 8070.89 227.89 o
-4 4 1 10402.34 10035.53 224.05 o
-3 4 1 9003.73 8774.20 177.31 o
-2 4 1 39.48 71.57 31.37 o
-1 4 1 9186.91 9856.47 383.55 o
0 4 1 28695.22 28075.55 851.07 o
1 4 1 35432.34 37528.32 3483.11 o
2 4 1 50106.45 52634.32 401.95 o
3 4 1 15539.28 15315.10 248.66 o
4 4 1 2903.64 2939.10 132.34 o
5 4 1 3885.03 3974.69 171.89 o
6 4 1 10709.18 10583.06 304.74 o
7 4 1 13197.54 14891.29 395.17 o
8 4 1 13019.70 14229.06 419.57 o
9 4 1 4756.43 5778.83 300.05 o
-9 5 1 4302.68 4994.77 277.21 o
-8 5 1 7694.91 8329.95 301.77 o
-7 5 1 4046.59 4307.50 211.72 o
-6 5 1 89.86 210.56 39.43 o
-5 5 1 828.29 714.38 56.13 o
-4 5 1 1927.30 2170.40 106.95 o
-3 5 1 29041.52 26311.35 315.42 o
-2 5 1 26032.38 26165.51 245.16 o
-1 5 1 30665.73 33079.65 1831.68 o
0 5 1 9426.66 8957.35 221.16 o
1 5 1 22.67 134.44 52.16 o
2 5 1 4393.30 4217.04 99.42 o
3 5 1 26249.81 24752.46 313.77 o
4 5 1 39053.84 37111.32 463.92 o
5 5 1 25173.25 25346.83 419.69 o
6 5 1 8099.62 8614.59 263.01 o
7 5 1 483.06 501.45 59.28 o
8 5 1 17.95 145.78 119.53 o
9 5 1 2142.93 2066.39 153.90 o
-9 6 1 3.97 -97.27 137.54 o
-8 6 1 480.68 608.45 66.20 o
-7 6 1 85.68 14.55 99.21 o
-6 6 1 56.41 -54.49 86.03 o
-5 6 1 970.00 854.11 58.78 o
-4 6 1 595.29 636.03 46.69 o
-3 6 1 3303.97 3179.36 106.12 o
-2 6 1 1280.18 1256.83 58.03 o
-1 6 1 204.95 262.50 18.01 o
0 6 1 2163.06 2272.85 39.42 o
1 6 1 2170.78 2225.44 43.73 o
2 6 1 2502.91 2547.99 79.62 o
3 6 1 484.31 419.80 29.99 o
4 6 1 5289.07 5321.76 166.80 o
5 6 1 538.79 575.94 43.60 o
6 6 1 269.39 249.84 42.49 o
7 6 1 286.96 414.24 50.99 o
8 6 1 383.48 415.12 59.24 o
9 6 1 70.06 -20.45 136.71 o
-9 7 1 5932.75 6545.07 291.37 o
-8 7 1 9751.93 9878.25 318.67 o
-7 7 1 6782.27 7024.29 253.63 o
-6 7 1 2319.19 2155.03 140.95 o
-5 7 1 206.50 44.65 68.16 o
-4 7 1 3662.79 3147.46 125.57 o
-3 7 1 15955.61 16277.72 235.58 o
-2 7 1 100268.49 103453.30 582.04 o
-1 7 1 42042.07 45512.38 2630.37 o
0 7 1 6196.13 6096.41 132.09 o
1 7 1 3334.54 3503.21 115.91 o
2 7 1 6535.77 6576.81 127.94 o
3 7 1 21432.12 21294.24 281.35 o
4 7 1 45180.18 38968.20 474.21 o
5 7 1 27280.19 26005.66 421.08 o
6 7 1 3310.28 3220.78 171.98 o
7 7 1 2077.50 2007.60 131.78 o
8 7 1 512.87 484.29 61.96 o
-9 8 1 907.66 1034.95 78.63 o
-8 8 1 67.41 -63.94 120.34 o
-7 8 1 1324.28 1322.12 105.80 o
-6 8 1 6491.35 6314.53 219.09 o
-5 8 1 14767.59 12990.67 279.89 o
-4 8 1 10005.39 8706.65 204.01 o
-3 8 1 2275.91 2266.63 94.98 o
-2 8 1 1718.36 1677.17 67.58 o
-1 8 1 2043.60 2129.66 49.34 o
0 8 1 26312.93 26172.22 157.37 o
1 8 1 30514.64 30383.96 756.40 o
2 8 1 19561.11 19787.09 227.84 o
3 8 1 565.03 548.67 43.11 o
4 8 1 299.52 263.40 32.27 o
5 8 1 681.71 560.69 51.10 o
6 8 1 3285.98 3147.61 160.13 o
7 8 1 5133.09 5096.78 224.83 o
8 8 1 5163.48 4602.13 243.17 o
-9 9 1 307.76 184.42 143.50 o
-8 9 1 687.35 721.57 60.35 o
-7 9 1 161.75 201.59 43.94 o
-6 9 1 75.04 -11.96 88.81 o
-5 9 1 4.25 5.02 72.33 o
-4 9 1 15.51 -36.03 56.82 o
-3 9 1 481.82 468.53 34.57 o
-2 9 1 4843.14 4724.91 111.74 o
-1 9 1 2259.35 2463.43 124.56 o
0 9 1 486.89 456.00 25.91 o
1 9 1 4047.52 4235.17 69.07 o
2 9 1 1834.72 1917.41 78.12 o
3 9 1 1519.38 1500.85 81.99 o
4 9 1 1462.45 1397.98 99.95 o
5 9 1 1025.73 986.34 73.72 o
6 9 1 22.14 63.49 68.96 o
7 9 1 21.19 -37.16 93.12 o
8 9 1 28.46 25.03 118.41 o
-8 10 1 90.71 71.39 112.55 o
-7 10 1 4038.00 3610.97 199.96 o
-6 10 1 20840.69 18847.09 374.03 o
-5 10 1 47224.15 39165.89 520.22 o
-4 10 1 24490.56 22371.78 335.38 o
-3 10 1 11518.07 11198.05 201.46 o
-2 10 1 542.79 712.93 53.46 o
-1 10 1 18234.32 19318.04 806.89 o
0 10 1 30533.56 30924.28 466.93 o
1 10 1 57906.22 58473.82 984.74 o
2 10 1 28244.46 26334.88 286.29 o
3 10 1 7245.13 7492.65 170.10 o
4 10 1 996.69 1126.09 86.35 o
5 10 1 3277.14 2683.88 148.02 o
6 10 1 2800.19 2409.32 150.24 o
7 10 1 7325.27 7081.05 265.95 o
8 10 1 3967.88 3861.73 219.86 o
-8 11 1 3137.30 2813.32 190.28 o
-7 11 1 2226.22 2288.41 151.20 o
-6 11 1 3260.71 2879.85 158.10 o
-5 11 1 275.84 185.16 88.98 o
-4 11 1 6898.41 6614.19 186.34 o
-3 11 1 9191.50 9215.54 188.06 o
-2 11 1 18081.29 17735.42 230.72 o
-1 11 1 13098.30 14121.55 715.59 o
0 11 1 18678.14 18976.62 157.09 o
1 11 1 3481.03 3386.67 179.20 o
2 11 1 2280.40 2084.90 87.15 o
3 11 1 3174.07 3252.12 117.22 o
4 11 1 4988.53 4583.90 167.71 o
5 11 1 6786.31 5471.59 201.06 o
6 11 1 2527.26 2362.10 148.99 o
7 11 1 1313.29 1227.78 112.80 o
8 11 1 765.01 808.75 64.78 o
-8 12 1 440.95 415.60 58.12 o
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-6 12 1 1085.83 912.74 60.98 o
-5 12 1 2698.52 2373.81 140.13 o
-4 12 1 3611.16 3244.31 136.57 o
-3 12 1 523.63 567.49 41.52 o
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-1 12 1 1626.24 1736.95 64.88 o
0 12 1 5589.34 5471.58 91.82 o
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2 12 1 313.22 319.03 25.50 o
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6 12 1 963.14 906.35 64.77 o
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-8 13 1 4174.87 3725.82 216.87 o
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0 13 1 11478.20 11600.54 133.95 o
1 13 1 412.97 425.23 23.24 o
2 13 1 3739.26 3657.90 122.17 o
3 13 1 7469.98 7587.76 185.63 o
4 13 1 17926.75 16782.81 310.35 o
5 13 1 11201.28 9678.90 269.93 o
6 13 1 6779.03 5874.52 230.67 o
7 13 1 748.57 668.61 59.84 o
-7 14 1 2272.82 2071.86 161.09 o
-6 14 1 2243.79 1870.56 142.13 o
-5 14 1 6077.62 5447.94 199.15 o
-4 14 1 5146.43 4718.26 169.94 o
-3 14 1 4061.93 3931.97 134.94 o
-2 14 1 120.28 104.17 54.86 o
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0 14 1 4565.08 4669.76 93.01 o
1 14 1 11288.88 11596.53 143.93 o
2 14 1 6417.52 6308.06 162.31 o
3 14 1 8740.55 8820.12 208.38 o
4 14 1 1757.00 1644.82 118.94 o
5 14 1 1990.12 1653.15 107.72 o
6 14 1 1597.46 1480.61 112.83 o
7 14 1 2223.26 1861.41 138.60 o
-7 15 1 1195.53 1074.65 97.58 o
-6 15 1 79.63 0.00 90.02 o
-5 15 1 47.79 63.15 72.77 o
-4 15 1 780.82 731.25 66.30 o
-3 15 1 1226.97 1316.17 97.62 o
-2 15 1 484.98 451.93 31.34 o
-1 15 1 3979.90 4113.22 165.19 o
0 15 1 758.27 602.57 111.32 o
1 15 1 142.08 102.05 41.55 o
2 15 1 1758.29 1965.15 100.33 o
3 15 1 3983.11 4179.74 155.43 o
4 15 1 2646.92 2489.58 135.44 o
5 15 1 1466.04 1357.85 107.13 o
6 15 1 2004.84 1854.62 124.40 o
7 15 1 1.11 73.88 97.35 o
-7 16 1 1574.19 1409.08 125.04 o
-6 16 1 3409.17 3090.59 181.48 o
-5 16 1 3776.32 3420.59 178.26 o
-4 16 1 6938.95 6802.36 208.39 o
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