#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/26/2012681.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_2012681_Fobs
loop_
_publ_author_name
'Britton, Doyle'
'Young, Victor G.'
'Schlemper, Elmer O.'
_publ_section_title
;
 Intermolecular interactions in cyanodimethylarsine and
 cyanodimethylstibine
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m307
_journal_page_last               m309
_journal_volume                  58
_journal_year                    2002
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 109.673
_cell_angle_gamma                90.000
_cell_length_a                   11.3128
_cell_length_b                   6.1749
_cell_length_c                   16.7012
_exptl_crystal_F_000             656.00
_reflns_d_resolution_high        0.8378
_[local]_cod_data_source_file    bk1648IIsup3.hkl
_[local]_cod_data_source_block   II
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '(CH3)2SbCN in C2/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            396.27
_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+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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 35268.53 33709.77 1306.67 o
4 0 0 59115.71 56420.16 2193.34 o
6 0 0 69651.10 64349.78 2499.02 o
8 0 0 5228.72 5316.07 217.53 o
10 0 0 11383.08 13031.71 520.70 o
12 0 0 6525.77 7339.41 308.61 o
1 1 0 14578.29 15209.77 371.00 o
3 1 0 28849.27 28809.92 1109.23 o
5 1 0 4730.10 4774.64 196.18 o
7 1 0 5339.64 5473.10 184.03 o
9 1 0 9038.68 8517.73 513.16 o
11 1 0 1857.94 1789.37 110.00 o
0 2 0 42762.85 45502.02 1460.34 o
2 2 0 5575.41 5906.28 146.56 o
4 2 0 9431.00 10009.27 247.05 o
6 2 0 13086.69 13318.76 776.34 o
8 2 0 1245.90 1366.63 53.16 o
10 2 0 2400.15 2682.01 138.18 o
12 2 0 1522.10 1293.06 160.27 o
1 3 0 13144.64 13395.39 301.70 o
3 3 0 22957.53 23730.02 580.37 o
5 3 0 308.15 319.64 28.68 o
7 3 0 10665.25 11317.61 376.23 o
9 3 0 3970.56 4077.45 151.79 o
11 3 0 790.53 976.83 80.04 o
0 4 0 8297.28 8659.06 283.48 o
2 4 0 640.74 656.81 34.42 o
4 4 0 2261.70 2546.13 82.70 o
6 4 0 2837.07 2975.96 98.82 o
8 4 0 148.83 255.39 60.67 o
10 4 0 848.21 1323.10 92.04 o
1 5 0 5257.13 5141.04 175.03 o
3 5 0 15177.19 15733.82 436.74 o
5 5 0 2384.90 2387.64 84.79 o
7 5 0 2867.69 2710.48 98.82 o
9 5 0 4126.29 4200.14 140.90 o
0 6 0 28318.30 28653.31 926.04 o
2 6 0 4341.13 4300.64 153.89 o
4 6 0 7978.93 8449.90 243.70 o
6 6 0 13156.79 13119.65 371.84 o
1 7 0 1954.86 1942.85 106.59 o
3 7 0 6089.44 6455.87 227.79 o
-11 1 1 3012.33 3279.34 114.94 o
-7 1 1 1410.41 1316.80 50.69 o
-5 1 1 23106.03 22101.97 1245.74 o
-3 1 1 8672.93 7954.74 219.84 o
-1 1 1 13920.72 13640.77 439.88 o
1 1 1 53168.74 51042.74 1137.71 o
3 1 1 173.64 205.42 14.52 o
5 1 1 17800.96 19205.15 1084.32 o
7 1 1 9942.96 10433.87 337.08 o
9 1 1 1203.07 1033.17 51.69 o
11 1 1 4056.44 4671.64 287.25 o
-12 2 1 3057.59 3126.92 165.19 o
-10 2 1 3346.32 2776.85 217.53 o
-8 2 1 17901.84 18573.48 517.77 o
-6 2 1 15463.04 15407.62 494.32 o
-4 2 1 7738.51 7459.79 208.11 o
-2 2 1 74540.99 84054.69 3217.15 o
0 2 1 35724.52 38149.84 946.97 o
2 2 1 30729.37 30540.56 682.96 o
4 2 1 52881.80 57452.56 2207.37 o
6 2 1 4398.50 4847.92 162.89 o
8 2 1 10464.91 11429.84 369.95 o
10 2 1 7678.81 7171.28 448.68 o
-11 3 1 6097.94 7185.94 256.69 o
-9 3 1 1685.93 1675.24 72.57 o
-7 3 1 6205.22 6068.54 177.75 o
-5 3 1 25395.91 27695.04 758.96 o
-3 3 1 6557.32 7224.67 202.46 o
-1 3 1 14512.31 15245.16 429.21 o
1 3 1 43993.75 48561.10 1085.78 o
3 3 1 3955.35 4361.14 102.38 o
5 3 1 8801.78 9843.24 323.47 o
7 3 1 12860.16 14738.27 366.39 o
9 3 1 1480.06 1634.73 69.53 o
11 3 1 1124.03 1089.41 82.62 o
-10 4 1 2083.45 2127.81 106.15 o
-8 4 1 13155.70 12783.82 426.90 o
-6 4 1 10064.92 10793.15 305.26 o
-4 4 1 6469.54 6959.19 198.48 o
-2 4 1 43153.20 43796.09 1753.46 o
0 4 1 11666.58 12185.87 280.34 o
2 4 1 17138.14 17959.82 404.92 o
4 4 1 31580.24 33084.38 741.16 o
6 4 1 2572.02 2631.13 72.23 o
8 4 1 7825.88 8063.19 234.28 o
10 4 1 5737.59 6796.10 421.46 o
-9 5 1 3204.39 3167.74 116.20 o
-7 5 1 824.38 828.03 59.52 o
-5 5 1 11130.48 11658.88 328.50 o
-3 5 1 4531.05 4556.90 135.25 o
-1 5 1 5077.38 5020.44 171.05 o
1 5 1 18486.23 18947.42 528.03 o
3 5 1 872.66 849.95 44.64 o
5 5 1 6786.44 7060.53 204.97 o
7 5 1 6286.62 6465.08 222.35 o
9 5 1 614.53 561.97 72.59 o
-6 6 1 388.74 476.08 55.55 o
-4 6 1 774.80 778.08 52.03 o
-2 6 1 2163.16 1969.82 85.00 o
0 6 1 154.16 185.94 37.54 o
2 6 1 601.42 631.64 55.48 o
4 6 1 1398.01 1450.17 81.21 o
6 6 1 247.10 397.86 66.10 o
-3 7 1 2172.03 2343.67 105.73 o
-1 7 1 1844.08 1710.54 137.79 o
3 7 1 268.16 364.53 74.93 o
-12 0 2 3923.30 4473.36 199.95 o
-10 0 2 18012.01 22047.74 864.06 o
-8 0 2 17856.89 18677.75 1018.37 o
-4 0 2 99763.04 86020.86 3337.54 o
-2 0 2 33759.45 30728.36 1179.37 o
0 0 2 51415.02 47479.50 1522.53 o
2 0 2 157032.09 209347.41 8126.00 o
4 0 2 11811.35 14091.33 552.10 o
6 0 2 28376.17 30847.70 1204.71 o
8 0 2 23421.46 21368.97 838.31 o
10 0 2 3682.69 3729.27 172.31 o
12 0 2 4285.22 4333.72 202.04 o
-11 1 2 1635.50 1834.65 68.57 o
-9 1 2 3576.37 3296.30 123.53 o
-7 1 2 18267.25 16715.55 674.79 o
-5 1 2 5659.18 4876.82 163.73 o
-3 1 2 9201.55 7832.68 216.91 o
-1 1 2 56319.29 53838.44 1325.93 o
1 1 2 10361.49 9664.86 373.51 o
3 1 2 27226.50 26682.74 1048.52 o
5 1 2 26435.55 28157.95 1525.67 o
7 1 2 873.81 876.86 42.04 o
11 1 2 3954.50 3773.45 177.13 o
-12 2 2 832.29 1118.80 78.49 o
-10 2 2 3945.45 3406.63 246.22 o
-8 2 2 3688.51 3738.69 136.09 o
-6 2 2 3911.22 3614.53 109.08 o
-4 2 2 21185.63 21088.21 579.11 o
-2 2 2 5360.66 5396.05 135.25 o
0 2 2 11064.36 11490.76 371.42 o
2 2 2 24992.50 24569.79 548.96 o
4 2 2 1681.56 1604.16 62.56 o
6 2 2 6928.36 8053.14 228.63 o
8 2 2 5093.32 5401.49 144.25 o
10 2 2 765.70 728.73 54.10 o
-11 3 2 4025.59 5402.54 236.17 o
-9 3 2 71.80 58.89 64.83 o
-7 3 2 14986.39 15115.76 421.04 o
-5 3 2 10669.66 10787.91 301.28 o
-3 3 2 5965.16 6493.35 209.79 o
-1 3 2 39849.02 40741.61 1140.85 o
1 3 2 3663.37 3857.82 98.40 o
3 3 2 20936.31 21640.10 485.94 o
5 3 2 13858.98 14719.22 362.63 o
7 3 2 303.24 422.65 41.14 o
9 3 2 7101.29 7732.60 320.75 o
11 3 2 948.18 978.17 70.49 o
-10 4 2 1045.69 1229.87 86.09 o
-8 4 2 939.37 1006.56 61.66 o
-6 4 2 988.31 895.11 51.50 o
-4 4 2 2408.23 2363.35 77.26 o
-2 4 2 612.33 693.13 33.54 o
0 4 2 1643.19 1566.98 46.67 o
2 4 2 3974.11 4039.76 96.73 o
4 4 2 223.35 236.33 28.08 o
6 4 2 1440.43 1591.89 52.32 o
8 4 2 945.85 1054.25 56.28 o
10 4 2 314.15 532.53 70.58 o
-9 5 2 1854.38 1697.87 84.90 o
-7 5 2 7806.62 8152.59 237.42 o
-5 5 2 2885.05 2993.97 98.40 o
-3 5 2 4841.89 5010.18 173.57 o
-1 5 2 19450.75 19907.58 645.27 o
1 5 2 3151.00 3291.27 117.87 o
3 5 2 7795.88 8242.83 191.78 o
5 5 2 11171.11 11923.32 334.15 o
7 5 2 879.21 859.37 50.08 o
-6 6 2 3730.57 3855.10 126.25 o
-4 6 2 17639.44 17408.56 569.90 o
-2 6 2 4190.42 3537.91 228.00 o
0 6 2 8905.58 8701.98 289.56 o
2 6 2 20449.50 20388.29 462.29 o
4 6 2 1227.57 1347.08 65.91 o
6 6 2 7111.59 7199.13 216.70 o
-3 7 2 2364.48 2478.92 108.66 o
-1 7 2 7188.86 7003.16 426.69 o
1 7 2 866.46 926.77 76.40 o
3 7 2 3005.45 3004.02 217.53 o
-13 1 3 2365.79 2863.11 121.64 o
-11 1 3 851.80 904.89 57.79 o
-9 1 3 8415.07 8321.34 338.34 o
-7 1 3 10775.33 9949.60 549.80 o
-5 1 3 5533.16 4687.34 133.58 o
-3 1 3 26530.06 22723.16 1275.68 o
-1 1 3 9597.81 8471.04 326.20 o
1 1 3 17163.44 16925.13 534.94 o
3 1 3 27711.46 30841.42 985.29 o
5 1 3 895.92 862.77 34.32 o
7 1 3 10169.84 11190.32 318.45 o
9 1 3 3625.22 3782.66 246.22 o
11 1 3 1071.14 918.46 71.21 o
-12 2 3 5250.46 5815.21 208.32 o
-10 2 3 4721.79 4570.51 202.04 o
-8 2 3 8161.37 7369.56 249.36 o
-6 2 3 41576.88 36837.94 1010.20 o
-4 2 3 7244.52 6493.56 182.78 o
-2 2 3 31434.36 31848.90 783.46 o
0 2 3 82530.36 83418.84 2675.94 o
2 2 3 3752.95 3621.44 140.70 o
4 2 3 33712.00 33395.30 1077.41 o
6 2 3 20835.30 24514.94 677.10 o
8 2 3 1510.42 1549.83 63.48 o
-11 3 3 3091.10 3180.72 130.86 o
-9 3 3 9498.50 8653.82 294.58 o
-7 3 3 743.46 796.83 48.34 o
-5 3 3 11779.60 12031.98 334.15 o
-3 3 3 25301.75 26953.03 663.70 o
-1 3 3 4041.75 4516.28 131.27 o
1 3 3 13236.79 13713.42 337.29 o
3 3 3 30623.66 32275.39 1004.13 o
5 3 3 2333.84 2569.16 67.63 o
7 3 3 6767.57 7590.65 197.64 o
9 3 3 7584.29 7697.85 478.83 o
-10 4 3 3667.01 3498.13 125.20 o
-8 4 3 4870.52 4324.71 136.30 o
-6 4 3 25339.90 26640.45 734.25 o
-4 4 3 6087.30 6118.37 176.08 o
-2 4 3 17499.51 18147.84 511.70 o
0 4 3 43546.87 44324.95 1381.20 o
2 4 3 1890.39 1978.97 57.66 o
4 4 3 19205.46 20130.56 454.75 o
6 4 3 14957.73 15521.52 354.25 o
8 4 3 1171.20 1254.20 61.01 o
-9 5 3 4335.79 4172.08 140.28 o
-7 5 3 4768.02 4788.67 149.49 o
-5 5 3 2955.74 2948.32 97.36 o
-3 5 3 14504.66 14291.48 582.25 o
-1 5 3 2889.79 2809.51 88.77 o
1 5 3 8300.52 8326.58 234.91 o
3 5 3 11585.19 12142.32 278.46 o
5 5 3 194.33 282.63 41.41 o
7 5 3 4453.73 4846.04 124.99 o
-6 6 3 858.06 956.16 62.01 o
-4 6 3 720.41 688.03 59.40 o
-2 6 3 624.53 607.82 42.75 o
0 6 3 1905.39 1801.82 77.03 o
2 6 3 275.73 316.54 41.87 o
4 6 3 325.33 410.15 46.56 o
6 6 3 804.58 906.27 71.81 o
-3 7 3 5608.98 5519.79 197.02 o
-1 7 3 816.09 859.85 83.31 o
1 7 3 3321.81 3160.21 123.32 o
-12 0 4 4861.37 5234.00 225.70 o
-10 0 4 7035.77 8367.82 278.88 o
-8 0 4 42645.98 48423.34 1551.63 o
-6 0 4 21888.66 21392.00 1160.32 o
-4 0 4 60092.92 55715.01 2133.88 o
-2 0 4 155774.94 174378.91 6669.64 o
0 0 4 25967.10 24917.97 798.95 o
2 0 4 84231.58 107995.33 4192.39 o
4 0 4 83149.91 115882.23 4500.58 o
6 0 4 3432.25 3912.47 165.82 o
8 0 4 19784.57 18618.50 734.88 o
10 0 4 8409.19 7481.78 311.75 o
-13 1 4 1660.82 2061.23 117.87 o
-11 1 4 6118.72 6585.05 226.54 o
-9 1 4 1628.07 1678.32 76.38 o
-7 1 4 11880.99 9372.37 518.40 o
-5 1 4 24337.94 20491.09 661.39 o
-3 1 4 174.85 182.94 14.40 o
-1 1 4 18674.15 17009.50 465.43 o
1 1 4 23560.44 23331.17 908.03 o
3 1 4 942.56 1089.11 37.35 o
5 1 4 12825.19 15373.08 426.06 o
7 1 4 10247.41 11131.07 359.49 o
9 1 4 624.11 656.58 52.53 o
11 1 4 2335.55 2110.22 127.71 o
-12 2 4 1098.02 1759.62 109.81 o
-10 2 4 1636.99 1682.88 87.22 o
-8 2 4 8629.36 7275.76 209.58 o
-6 2 4 3587.21 3258.19 99.03 o
-4 2 4 9736.12 8903.18 223.19 o
-2 2 4 24816.95 24540.27 547.50 o
0 2 4 1906.53 1801.43 53.49 o
2 2 4 14495.28 14280.60 396.12 o
4 2 4 13466.81 14033.54 383.77 o
6 2 4 700.79 854.70 40.35 o
8 2 4 4211.43 5064.62 153.26 o
10 2 4 1832.71 1976.10 91.26 o
-11 3 4 3145.34 3409.35 137.97 o
-9 3 4 6062.48 6043.00 180.48 o
-7 3 4 675.52 703.18 47.05 o
-5 3 4 23006.77 22678.57 624.96 o
-3 3 4 3588.21 3805.90 99.66 o
-1 3 4 12027.07 11966.45 298.14 o
1 3 4 24348.17 24524.57 672.91 o
3 3 4 192.07 232.52 22.17 o
5 3 4 13599.01 15136.49 597.12 o
7 3 4 3065.54 3656.41 115.78 o
9 3 4 1384.71 1504.21 75.04 o
-10 4 4 272.01 294.96 68.40 o
-8 4 4 2135.96 2098.50 81.03 o
-6 4 4 904.96 887.81 50.94 o
-4 4 4 2273.65 2449.82 114.52 o
-2 4 4 3914.36 3932.77 117.67 o
0 4 4 374.41 416.22 27.41 o
2 4 4 3795.60 3661.22 97.15 o
4 4 4 3659.80 3808.41 95.05 o
6 4 4 201.52 256.52 36.58 o
8 4 4 1665.86 1895.01 73.78 o
-9 5 4 1230.25 1127.87 72.32 o
-7 5 4 5231.10 5098.75 156.82 o
-5 5 4 11553.76 11715.41 329.76 o
-3 5 4 812.28 818.02 42.19 o
-1 5 4 8622.31 8629.12 285.79 o
1 5 4 12979.11 13061.65 517.56 o
3 5 4 856.75 861.19 39.38 o
5 5 4 5752.15 6112.51 148.86 o
7 5 4 4653.45 5228.35 134.21 o
-6 6 4 3431.82 3335.66 113.27 o
-4 6 4 8204.38 7918.10 269.67 o
-2 6 4 20316.87 19579.50 555.04 o
0 6 4 1344.33 1374.55 65.07 o
2 6 4 12784.72 12923.26 515.88 o
4 6 4 13323.09 14076.25 394.45 o
-3 7 4 273.34 282.92 60.74 o
-1 7 4 3630.27 3788.73 141.74 o
1 7 4 5590.78 5700.89 200.16 o
-13 1 5 2106.63 2349.74 127.09 o
-11 1 5 2854.05 3430.29 131.48 o
-9 1 5 1737.55 1640.53 74.95 o
-7 1 5 17364.10 15552.51 506.04 o
-5 1 5 4284.83 3629.82 104.89 o
-3 1 5 26081.07 22579.54 704.32 o
-1 1 5 22142.24 19539.93 534.31 o
1 1 5 251.43 273.50 14.82 o
3 1 5 26498.17 31529.41 993.24 o
5 1 5 8034.37 9610.42 270.50 o
7 1 5 2370.78 2783.13 94.63 o
9 1 5 5750.21 5491.31 167.08 o
11 1 5 695.24 651.32 69.57 o
-12 2 5 2537.70 2698.97 118.50 o
-10 2 5 10637.96 10563.68 353.20 o
-8 2 5 7399.22 6881.10 197.85 o
-6 2 5 16601.95 15586.64 440.93 o
-4 2 5 51686.71 46340.54 1297.25 o
-2 2 5 3415.63 3096.56 88.35 o
0 2 5 25423.58 25135.72 688.19 o
2 2 5 45043.64 46016.64 1451.13 o
4 2 5 2117.84 2235.64 63.86 o
6 2 5 15184.05 17068.12 428.16 o
8 2 5 8688.08 9643.92 249.57 o
10 2 5 1034.02 1099.08 71.23 o
-11 3 5 255.86 406.99 80.50 o
-9 3 5 6692.80 5744.23 243.50 o
-7 3 5 16527.79 16284.25 532.63 o
-5 3 5 326.42 307.71 33.10 o
-3 3 5 23102.16 24536.09 605.91 o
-1 3 5 26839.94 28775.17 787.64 o
1 3 5 400.54 413.46 25.52 o
3 3 5 16199.69 17491.47 430.67 o
5 3 5 15096.44 17398.93 428.79 o
7 3 5 117.07 176.15 45.33 o
9 3 5 4181.59 4442.80 172.73 o
-10 4 5 8334.85 7150.14 214.39 o
-8 4 5 4423.05 4043.74 128.34 o
-6 4 5 10688.65 10620.21 300.02 o
-4 4 5 31069.57 31771.86 784.50 o
-2 4 5 1742.35 1730.68 59.04 o
0 4 5 21004.74 21607.86 594.82 o
2 4 5 26049.05 27871.74 765.45 o
4 4 5 869.10 883.74 37.98 o
6 4 5 11424.47 13194.18 370.37 o
8 4 5 5978.25 6620.85 179.85 o
-9 5 5 1337.26 1128.03 71.65 o
-7 5 5 7404.43 7416.45 217.74 o
-5 5 5 2160.12 2023.63 88.69 o
-3 5 5 7579.12 7597.35 221.51 o
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1 5 5 68.72 91.71 31.66 o
3 5 5 10642.55 10769.91 270.29 o
5 5 5 4808.91 5076.14 127.30 o
7 5 5 707.80 799.47 53.64 o
-6 6 5 415.48 444.24 59.57 o
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-2 6 5 268.80 298.92 40.45 o
0 6 5 1220.65 1261.70 63.69 o
2 6 5 1192.18 1164.78 54.21 o
4 6 5 24.04 14.89 52.91 o
-1 7 5 5192.59 5025.68 179.43 o
1 7 5 23.64 10.38 90.63 o
-12 0 6 9572.39 10667.53 618.89 o
-10 0 6 6373.85 6881.73 284.74 o
-8 0 6 19506.27 19439.43 1123.26 o
-6 0 6 69465.09 59431.51 2269.34 o
-4 0 6 10674.41 10692.23 414.34 o
-2 0 6 86795.38 97309.38 3726.34 o
0 0 6 76165.89 74014.22 2374.45 o
2 0 6 386.44 526.46 31.99 o
4 0 6 39823.97 52182.13 2029.83 o
6 0 6 19480.77 24113.79 944.88 o
8 0 6 2584.15 2349.32 117.67 o
10 0 6 6852.11 5413.01 237.21 o
-13 1 6 595.36 612.19 75.06 o
-11 1 6 3130.83 3776.17 174.40 o
-9 1 6 8836.92 7823.05 318.87 o
-7 1 6 1296.11 1194.09 42.65 o
-5 1 6 19043.15 16001.60 505.42 o
-3 1 6 28916.06 26213.54 582.67 o
-1 1 6 256.41 216.59 12.19 o
1 1 6 24422.15 24637.00 959.74 o
3 1 6 20103.81 24276.68 766.50 o
5 1 6 897.60 1048.75 41.08 o
7 1 6 9566.54 10658.52 302.12 o
9 1 6 4665.70 4346.91 137.55 o
-12 2 6 2160.18 2620.04 118.50 o
-10 2 6 1482.11 1631.48 70.52 o
-8 2 6 3992.72 3321.84 118.08 o
-6 2 6 12890.72 11426.28 318.87 o
-4 2 6 1522.12 1215.49 44.62 o
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