#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/00/53/2005351.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_2005351_Fobs
loop_
_publ_author_name
'Robinson, B. H.'
'Simpson, J.'
'Wilson, D. J.'
_publ_section_title
;
 1-(<i>R</i>)-{2-[1-(<i>R</i>)-(<i>N</i>,<i>N</i>-Dimethylamino)ethyl]-1,1'-(<i>S</i>,<i>S</i>)-biferrocen-2'-yl}ethyl-<i>N</i>,<i>N</i>-dimethylammonium
 Trichloro(dimethyl sulfoxide-<i>S</i>)platinate(II)
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2196
_journal_page_last               2198
_journal_volume                  52
_journal_year                    1996
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_exptl_crystal_F_000             884.00
_[local]_cod_data_source_file    fg1112sup2.hkl
_[local]_cod_data_source_block   bifpt
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' bifpt in P2(1)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            268.42
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
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 0 362.31 249.06 236.16 o
3 0 0 1740.36 1780.50 318.38 o
4 0 0 6863.47 5719.52 399.79 o
5 0 0 591.47 609.35 296.62 o
6 0 0 642.04 598.87 311.12 o
7 0 0 24515.41 24510.28 755.24 o
8 0 0 30273.37 30008.95 885.01 o
9 0 0 673.21 534.39 372.38 o
10 0 0 948.38 943.85 430.41 o
11 0 0 2576.27 2987.92 533.59 o
12 0 0 5265.59 5406.79 696.40 o
1 1 0 33542.95 35646.02 279.00 o
3 1 0 3238.11 2400.33 357.07 o
4 1 0 600.03 889.04 293.39 o
5 1 0 7204.08 5383.41 446.54 o
6 1 0 29545.15 31782.20 812.47 o
7 1 0 4120.24 3169.27 412.68 o
8 1 0 4860.46 4541.93 510.21 o
9 1 0 13603.82 11573.65 718.97 o
10 1 0 6390.31 5459.18 595.65 o
11 1 0 955.58 1100.22 508.60 o
12 1 0 1362.95 1344.44 540.03 o
0 2 0 28907.21 30825.45 449.76 o
1 2 0 38656.65 40877.02 733.08 o
2 2 0 916.42 889.04 206.34 o
3 2 0 5195.66 3884.21 425.58 o
4 2 0 4789.33 4453.26 499.73 o
5 2 0 9998.62 10855.48 585.98 o
6 2 0 4523.14 3997.86 455.40 o
7 2 0 26487.70 28019.69 866.47 o
8 2 0 7721.59 6637.58 585.98 o
9 2 0 3553.64 3253.10 477.97 o
10 2 0 1771.69 2008.60 527.14 o
11 2 0 3248.94 3609.36 618.22 o
12 2 0 1474.69 723.00 571.47 o
1 3 0 7021.02 6964.80 225.84 o
2 3 0 13815.37 15355.50 382.86 o
3 3 0 5263.88 4844.99 299.84 o
4 3 0 508.17 584.36 281.30 o
6 3 0 9175.02 9461.07 677.86 o
7 3 0 1222.13 1371.85 405.43 o
8 3 0 3043.44 2201.24 465.07 o
9 3 0 5129.14 4948.16 581.14 o
10 3 0 2588.95 3068.52 557.77 o
11 3 0 1971.57 1677.33 556.96 o
12 3 0 880.96 670.61 487.64 o
0 4 0 22665.85 22767.66 553.74 o
1 4 0 2657.96 2956.48 268.40 o
2 4 0 950.50 1069.59 219.24 o
3 4 0 2570.79 2467.23 236.97 o
4 4 0 18098.59 17450.35 528.75 o
5 4 0 1305.52 1267.87 313.54 o
6 4 0 540.72 893.88 398.17 o
7 4 0 2729.34 2564.76 519.08 o
8 4 0 4895.19 4853.05 610.96 o
9 4 0 32.35 196.67 386.89 o
10 4 0 198.52 -102.36 476.36 o
11 4 0 2173.79 1990.06 611.77 o
1 5 0 3443.34 3979.32 315.96 o
2 5 0 8277.62 8266.55 392.53 o
3 5 0 8477.33 8094.86 403.82 o
4 5 0 300.74 562.60 236.16 o
5 5 0 4653.08 4829.68 378.02 o
6 5 0 6850.04 6854.40 555.35 o
7 5 0 1073.90 855.19 424.77 o
8 5 0 1186.55 1115.53 476.36 o
9 5 0 773.61 670.61 404.62 o
10 5 0 1613.50 1433.91 604.52 o
11 5 0 402.49 439.28 523.91 o
0 6 0 1621.41 1725.69 303.06 o
1 6 0 9031.47 10765.21 459.43 o
2 6 0 2962.04 3369.17 325.63 o
3 6 0 5239.12 6741.56 384.47 o
4 6 0 1235.23 1309.78 252.28 o
5 6 0 4161.70 4290.45 353.04 o
6 6 0 2530.38 2215.75 348.20 o
7 6 0 8663.72 8677.62 620.64 o
8 6 0 1326.76 1815.16 454.60 o
9 6 0 1842.69 1535.47 585.98 o
10 6 0 657.99 491.67 535.20 o
1 7 0 5355.28 5694.54 419.94 o
2 7 0 8608.48 9008.09 477.97 o
3 7 0 1129.21 831.01 299.03 o
4 7 0 309.27 576.30 281.30 o
5 7 0 5340.20 5376.16 404.62 o
6 7 0 3384.22 3136.23 373.19 o
7 7 0 2266.92 2160.14 538.42 o
8 7 0 927.49 1051.05 583.56 o
9 7 0 3584.96 3230.53 659.32 o
0 8 0 20183.68 18826.22 747.99 o
1 8 0 4127.16 4807.91 432.03 o
2 8 0 924.31 729.45 335.30 o
3 8 0 2117.89 2518.01 374.80 o
4 8 0 3084.36 3029.83 383.67 o
5 8 0 1416.60 893.07 347.39 o
6 8 0 722.54 884.20 503.76 o
7 8 0 4341.31 4067.18 605.32 o
8 8 0 8976.07 8696.96 829.40 o
1 9 0 3464.40 3465.89 467.49 o
2 9 0 8434.16 8339.89 681.89 o
3 9 0 2990.22 3176.53 569.05 o
4 9 0 449.81 449.76 523.91 o
5 9 0 3054.60 3041.92 560.18 o
6 9 0 4332.36 4568.52 662.55 o
0 10 0 4238.91 5948.43 636.76 o
1 10 0 5118.23 5239.13 603.71 o
2 10 0 104.46 -407.04 460.24 o
3 10 0 3953.23 3294.21 616.61 o
4 10 0 3617.09 3176.53 613.38 o
-13 0 1 427.16 635.14 498.93 o
-12 0 1 391.64 407.04 472.33 o
-11 0 1 726.27 376.41 444.92 o
-10 0 1 5408.45 5360.04 576.30 o
-9 0 1 2918.51 2343.91 455.40 o
-8 0 1 1822.61 1337.19 367.55 o
-7 0 1 5.15 160.40 275.66 o
-6 0 1 7759.83 6792.33 441.70 o
-5 0 1 11199.54 11676.82 444.12 o
-4 0 1 4322.34 3991.41 307.90 o
-3 0 1 107.94 115.26 226.49 o
-2 0 1 28871.76 28296.96 377.22 o
1 0 1 484.54 538.79 153.02 o
2 0 1 12941.73 15581.99 432.83 o
3 0 1 141.83 245.84 299.84 o
4 0 1 529.86 751.21 315.96 o
5 0 1 227.34 279.69 271.63 o
6 0 1 14638.13 14645.39 632.73 o
7 0 1 2583.00 2139.98 414.29 o
8 0 1 350.00 403.01 418.32 o
9 0 1 845.81 984.15 442.51 o
10 0 1 3979.57 2854.92 559.38 o
11 0 1 1110.03 1510.48 560.99 o
12 0 1 7.70 -96.72 527.94 o
-13 1 1 254.83 59.65 522.30 o
-12 1 1 1700.51 1874.80 508.60 o
-11 1 1 3922.35 3205.54 498.12 o
-10 1 1 2397.96 2066.64 469.10 o
-9 1 1 2206.34 2441.44 415.91 o
-8 1 1 4573.98 3693.19 462.66 o
-7 1 1 10890.10 11645.38 540.84 o
-6 1 1 1812.87 1840.14 306.29 o
-5 1 1 230.02 443.31 286.14 o
-4 1 1 7722.52 8251.23 374.80 o
-3 1 1 13634.06 13518.58 394.95 o
-2 1 1 6368.12 6235.38 218.43 o
-1 1 1 11740.27 12464.30 232.94 o
0 1 1 5973.58 6774.62 757.26 o
1 1 1 25093.14 28831.97 441.30 o
2 1 1 5640.16 5246.39 351.42 o
3 1 1 4884.17 4844.18 386.08 o
4 1 1 3227.36 3279.70 378.83 o
5 1 1 4165.63 3540.04 422.35 o
6 1 1 1508.46 1717.63 357.87 o
7 1 1 5253.31 3054.82 475.55 o
8 1 1 13295.24 14406.00 710.91 o
9 1 1 2228.98 2118.22 495.70 o
10 1 1 473.05 334.50 457.01 o
11 1 1 1147.00 1279.96 560.99 o
12 1 1 1136.01 702.04 519.08 o
-12 2 1 4826.39 5808.99 702.85 o
-11 2 1 845.33 1064.75 511.82 o
-10 2 1 635.95 775.39 418.32 o
-9 2 1 6274.27 7159.88 573.08 o
-8 2 1 4088.93 4068.79 480.39 o
-7 2 1 2550.58 2458.36 391.73 o
-6 2 1 8299.15 7847.42 519.08 o
-5 2 1 13026.79 12201.54 536.00 o
-4 2 1 7649.38 6949.51 415.10 o
-3 2 1 3808.63 3437.68 346.59 o
-2 2 1 987.67 918.86 309.51 o
-1 2 1 32729.63 32131.41 4606.81 o
0 2 1 5678.85 5870.87 192.64 o
1 2 1 27505.53 28459.38 342.16 o
2 2 1 9930.38 9414.32 373.19 o
4 2 1 1842.36 1807.90 353.04 o
5 2 1 2032.74 2085.18 336.11 o
6 2 1 6996.93 7325.11 540.84 o
7 2 1 15433.54 16196.18 731.87 o
8 2 1 215.16 -14.51 392.53 o
9 2 1 3880.07 3814.09 531.97 o
10 2 1 1487.21 1142.94 451.37 o
11 2 1 1572.67 1356.53 531.17 o
-12 3 1 1514.24 1611.24 543.26 o
-11 3 1 3300.84 3256.32 580.33 o
-10 3 1 1307.94 1138.10 475.55 o
-9 3 1 380.26 189.41 394.95 o
-8 3 1 9140.89 7644.30 625.47 o
-7 3 1 21665.97 21148.37 815.69 o
-6 3 1 15547.03 16113.96 735.90 o
-5 3 1 2109.79 1987.65 417.52 o
-4 3 1 7227.51 6174.12 497.31 o
-3 3 1 3239.55 3597.27 247.45 o
-2 3 1 1390.45 1570.13 274.85 o
-1 3 1 2023.62 2297.45 311.93 o
0 3 1 27884.13 28607.53 379.46 o
1 3 1 34366.75 33924.33 484.01 o
2 3 1 2327.99 2057.77 231.33 o
3 3 1 7912.08 7487.13 371.58 o
4 3 1 16554.95 17486.62 639.17 o
5 3 1 9924.26 10304.17 631.92 o
6 3 1 2398.66 3209.57 441.70 o
7 3 1 3868.57 4215.49 506.99 o
8 3 1 11023.05 10083.32 731.06 o
9 3 1 2364.95 1962.66 444.92 o
10 3 1 109.95 -172.49 468.30 o
11 3 1 2628.42 2648.58 623.05 o
-12 4 1 2738.42 3609.36 650.46 o
-11 4 1 1409.39 762.50 476.36 o
-10 4 1 802.31 631.11 467.49 o
-9 4 1 2920.57 3062.88 550.51 o
-8 4 1 3409.90 3769.76 543.26 o
-7 4 1 772.46 1051.86 402.20 o
-4 4 1 6823.98 6731.08 329.66 o
-3 4 1 525.41 746.38 213.60 o
-2 4 1 15449.49 16399.29 513.44 o
-1 4 1 10794.09 11725.18 441.70 o
0 4 1 11106.37 11231.95 309.92 o
1 4 1 2126.11 2272.98 230.52 o
2 4 1 31425.17 29295.62 561.80 o
3 4 1 9201.67 8925.07 398.17 o
4 4 1 2251.04 2297.96 324.02 o
5 4 1 2157.68 2640.52 365.93 o
6 4 1 17913.08 20973.46 885.82 o
7 4 1 3111.90 2677.60 533.59 o
8 4 1 24.33 101.56 378.02 o
9 4 1 3272.79 2486.57 553.74 o
10 4 1 8503.89 8949.25 797.15 o
11 4 1 1793.08 1935.26 581.14 o
-11 5 1 3613.66 4059.12 617.41 o
-10 5 1 2025.62 2236.71 556.15 o
-9 5 1 1301.23 1491.14 490.87 o
-8 5 1 6486.49 7096.21 733.48 o
-7 5 1 17666.98 18087.10 1061.53 o
-6 5 1 9815.98 10099.44 589.20 o
-5 5 1 11.31 -142.67 226.49 o
-4 5 1 13912.54 12898.75 482.81 o
-3 5 1 11611.41 12520.72 525.53 o
-2 5 1 3238.29 3316.77 312.74 o
-1 5 1 3136.90 3383.67 332.08 o
0 5 1 19399.28 18794.05 397.64 o
1 5 1 22665.33 22242.14 580.33 o
2 5 1 4757.45 4986.04 297.42 o
3 5 1 4929.97 4993.30 324.02 o
4 5 1 14994.98 13689.45 556.96 o
5 5 1 9961.16 9776.22 556.96 o
6 5 1 2154.72 2011.83 400.59 o
7 5 1 3886.25 3878.57 475.55 o
8 5 1 7237.49 7162.30 709.30 o
9 5 1 4712.15 4103.45 648.85 o
10 5 1 364.69 427.19 501.34 o
-10 6 1 702.09 379.64 581.14 o
-9 6 1 9270.31 9031.46 781.03 o
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-6 6 1 4149.64 4279.97 382.86 o
-5 6 1 18329.09 16986.08 580.33 o
-4 6 1 4149.53 3980.13 361.10 o
-3 6 1 1250.96 1389.58 295.81 o
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-1 6 1 30726.81 29111.04 765.72 o
0 6 1 960.98 1173.33 196.97 o
1 6 1 5804.21 6178.95 365.93 o
2 6 1 8809.10 10373.48 418.32 o
3 6 1 19336.45 18457.87 573.89 o
4 6 1 1636.73 1741.00 311.93 o
5 6 1 4605.69 4865.95 397.37 o
6 6 1 6355.02 6963.21 514.24 o
7 6 1 5895.17 5865.41 581.14 o
8 6 1 440.02 1093.77 542.45 o
9 6 1 6199.50 5634.89 747.18 o
10 6 1 3812.04 3802.80 668.19 o
-10 7 1 3848.86 4057.51 725.42 o
-9 7 1 7.02 -194.25 477.16 o
-8 7 1 2837.60 2825.10 617.41 o
-7 7 1 8444.44 7940.91 488.45 o
-6 7 1 2080.59 2806.56 344.98 o
-5 7 1 555.94 698.01 327.24 o
-4 7 1 3840.91 5538.97 452.98 o
-3 7 1 11639.11 13124.43 582.75 o
-2 7 1 4712.38 5405.98 452.18 o
-1 7 1 1098.14 1267.06 346.59 o
0 7 1 15547.59 14548.44 430.14 o
1 7 1 10329.43 10001.91 498.93 o
2 7 1 1839.00 1981.20 330.47 o
3 7 1 2563.67 2395.49 335.30 o
4 7 1 5098.17 5281.05 413.49 o
5 7 1 10101.99 9444.14 511.82 o
6 7 1 1420.63 1194.52 332.08 o
7 7 1 3969.15 3180.56 634.34 o
8 7 1 7248.70 7371.86 770.56 o
9 7 1 2314.44 2322.95 630.31 o
-8 8 1 2816.07 2422.90 668.19 o
-7 8 1 550.00 471.52 466.69 o
-6 8 1 4013.10 4257.40 597.26 o
-5 8 1 3282.76 3125.75 377.22 o
-4 8 1 908.37 1107.47 378.83 o
-3 8 1 86.80 88.66 367.55 o
-2 8 1 11647.28 13481.50 589.20 o
-1 8 1 5600.92 6531.99 515.85 o
0 8 1 2805.28 2594.19 378.83 o
1 8 1 1401.03 1469.38 377.22 o
2 8 1 6814.93 6977.72 467.49 o
3 8 1 1185.11 993.02 309.51 o
4 8 1 1233.54 1137.30 305.48 o
5 8 1 1008.60 781.03 471.52 o
6 8 1 7785.74 7962.68 703.66 o
7 8 1 3484.15 2807.37 647.23 o
-7 9 1 2832.89 3087.86 604.52 o
-6 9 1 761.95 1341.22 498.12 o
-5 9 1 146.95 209.57 498.12 o
-4 9 1 4344.64 4679.76 587.59 o
-3 9 1 2668.40 2206.08 510.21 o
-2 9 1 2054.40 2225.42 404.62 o
-1 9 1 1167.56 1394.42 368.35 o
0 9 1 5140.91 5777.46 710.91 o
1 9 1 4600.81 3724.62 469.91 o
2 9 1 126.91 96.72 495.70 o
3 9 1 444.04 60.45 486.84 o
4 9 1 3566.77 3540.04 639.98 o
5 9 1 1508.42 1583.02 601.29 o
6 9 1 326.33 664.16 627.89 o
-5 10 1 2913.71 2452.72 644.82 o
-4 10 1 707.05 761.69 519.08 o
-3 10 1 588.90 684.31 444.12 o
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-1 10 1 5071.07 5284.27 622.25 o
0 10 1 949.34 1351.65 347.69 o
1 10 1 867.94 654.49 455.40 o
2 10 1 962.57 929.34 543.26 o
3 10 1 2827.39 2562.34 597.26 o
4 10 1 28.25 -245.03 519.08 o
-13 0 2 6022.92 5602.65 705.27 o
-12 0 2 1522.65 1318.65 536.00 o
-11 0 2 5135.28 4645.10 549.71 o
-10 0 2 11158.51 11689.72 657.71 o
-9 0 2 3793.25 3519.09 420.74 o
-8 0 2 5689.65 5135.16 426.38 o
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-6 0 2 29933.71 32368.98 673.83 o
-5 0 2 6973.91 7386.37 340.95 o
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-3 0 2 20015.15 19536.33 359.49 o
-2 0 2 38158.15 36147.61 384.47 o
-1 0 2 18172.39 18418.38 283.72 o
0 0 2 32328.82 37695.51 2029.96 o
1 0 2 15038.18 19216.22 818.51 o
2 0 2 2966.72 3389.32 322.41 o
3 0 2 1057.56 1209.03 299.84 o
4 0 2 12328.76 12496.54 518.27 o
5 0 2 14364.72 15199.13 606.13 o
6 0 2 11205.87 9615.02 590.81 o
7 0 2 342.95 519.88 357.87 o
8 0 2 21704.37 23107.00 874.53 o
9 0 2 3850.57 2832.36 552.12 o
10 0 2 1163.98 1117.14 465.88 o
11 0 2 799.31 1121.98 519.88 o
-13 1 2 4546.63 3954.34 673.83 o
-12 1 2 12083.99 11433.40 826.98 o
-11 1 2 3249.66 3396.57 507.79 o
-10 1 2 726.48 847.13 391.73 o
-9 1 2 5635.17 4594.32 484.42 o
-8 1 2 11566.37 11419.70 515.85 o
-7 1 2 8341.62 8421.30 452.98 o
-6 1 2 4923.30 4658.80 348.20 o
-5 1 2 22427.25 22382.38 532.78 o
-4 1 2 10022.96 9230.55 336.11 o
-3 1 2 1306.08 1386.36 195.06 o
-2 1 2 20606.53 20865.45 357.87 o
-1 1 2 53913.91 61733.92 592.43 o
0 1 2 46525.08 52045.86 3049.58 o
1 1 2 2736.94 3456.12 606.13 o
2 1 2 18523.47 22083.35 503.76 o
3 1 2 11383.91 14137.60 481.19 o
4 1 2 6475.74 6316.78 434.45 o
5 1 2 353.83 439.28 325.63 o
6 1 2 20678.42 22145.41 746.38 o
7 1 2 20856.76 22534.72 821.33 o
8 1 2 7059.72 5803.35 577.92 o
9 1 2 1627.37 1804.68 452.98 o
10 1 2 2805.52 2257.66 560.99 o
11 1 2 2782.75 3542.46 659.32 o
-13 2 2 1424.56 1258.20 523.11 o
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-11 2 2 4991.54 4645.90 560.18 o
-10 2 2 5656.15 5554.29 531.97 o
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-1 2 2 4009.92 4655.57 411.88 o
0 2 2 17348.71 18626.72 1538.29 o
1 2 2 45247.12 47809.57 601.29 o
2 2 2 16715.22 19171.20 467.49 o
3 2 2 1370.56 1550.78 286.94 o
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5 2 2 11818.14 12119.33 604.52 o
6 2 2 3355.17 3289.37 443.31 o
7 2 2 5081.27 4436.34 534.39 o
8 2 2 4238.18 3618.23 552.12 o
9 2 2 9663.43 9112.06 719.78 o
10 2 2 648.86 483.61 514.24 o
11 2 2 964.39 603.71 580.33 o
-12 3 2 2907.56 3582.76 631.92 o
-11 3 2 1914.44 1265.45 498.12 o
-10 3 2 1481.31 1470.18 477.97 o
-9 3 2 2968.20 2995.98 465.88 o
-8 3 2 12667.22 12320.83 602.90 o
-7 3 2 686.81 753.63 306.29 o
-6 3 2 3664.73 3378.03 346.59 o
-5 3 2 13183.37 12484.45 473.13 o
-4 3 2 6986.24 6385.29 405.43 o
-3 3 2 284.48 229.72 265.99 o
-2 3 2 2657.05 2457.56 398.98 o
-1 3 2 17126.48 14560.76 626.28 o
0 3 2 17343.75 18139.86 1099.82 o
1 3 2 44.13 121.93 150.61 o
2 3 2 13786.13 13566.13 418.32 o
3 3 2 13371.31 12482.84 471.52 o
4 3 2 4321.57 4412.96 392.53 o
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6 3 2 5877.00 5510.76 523.91 o
7 3 2 9049.38 8933.93 685.12 o
8 3 2 1902.80 1525.80 503.76 o
9 3 2 141.43 195.06 416.71 o
10 3 2 3774.41 3614.20 618.22 o
11 3 2 3498.06 3346.60 668.19 o
-12 4 2 427.08 580.33 613.38 o
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