data_2300482
_cell_angle_alpha                90.000
_cell_angle_beta                 100.075
_cell_angle_gamma                90.000
_cell_length_a                   5.3522
_cell_length_b                   13.8826
_cell_length_c                   14.2217
_exptl_crystal_F_000             832.00
_reflns_d_resolution_high        0.7676
_cod_data_source_file            kk5175Pb4sup13.hkl
_cod_data_source_block           Pb4
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '  P21/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            354.11
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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 55620.61 51504.64 724.08 o
4 0 0 9932.07 9522.16 227.18 o
6 0 0 60.87 38.17 45.71 o
1 1 0 369.55 433.86 22.64 o
2 1 0 6002.91 5969.76 95.39 o
3 1 0 11901.95 11866.02 179.88 o
4 1 0 16280.91 16100.33 244.77 o
5 1 0 8172.02 8170.76 171.97 o
6 1 0 10198.74 10993.81 387.98 o
1 2 0 44237.16 41317.20 882.07 o
2 2 0 17461.96 17793.47 216.85 o
3 2 0 9720.00 9450.75 179.01 o
4 2 0 6323.39 6345.71 172.02 o
5 2 0 593.66 641.26 54.08 o
6 2 0 41.33 57.81 42.37 o
1 3 0 12151.56 12051.72 227.83 o
2 3 0 97.08 122.30 16.53 o
3 3 0 35740.07 34660.81 372.15 o
4 3 0 239.08 282.24 34.74 o
5 3 0 29145.56 28608.13 535.34 o
6 3 0 95.49 133.43 46.83 o
0 4 0 487.79 476.71 56.20 o
1 4 0 21419.26 21417.52 290.91 o
2 4 0 9526.04 9831.63 191.12 o
3 4 0 13713.39 14094.50 302.01 o
4 4 0 3154.48 3144.56 187.77 o
5 4 0 31.93 32.65 46.28 o
6 4 0 578.57 535.38 89.18 o
1 5 0 6627.87 7045.44 169.60 o
2 5 0 6957.92 7327.93 185.03 o
3 5 0 3281.38 3386.30 136.63 o
4 5 0 14051.69 14013.59 294.47 o
5 5 0 5207.43 5204.19 283.54 o
6 5 0 11214.97 11452.94 567.87 o
0 6 0 71965.39 68076.93 1343.20 o
1 6 0 377.47 520.03 51.91 o
2 6 0 59432.56 57474.41 883.76 o
3 6 0 20.38 63.38 18.14 o
4 6 0 3690.92 3830.89 199.04 o
5 6 0 75.54 29.03 36.02 o
6 6 0 484.39 407.32 99.39 o
1 7 0 2382.60 2487.03 135.50 o
2 7 0 5407.88 5305.54 177.42 o
3 7 0 10874.22 10865.51 288.81 o
4 7 0 14279.43 14075.03 347.01 o
5 7 0 7500.90 7474.04 366.34 o
6 7 0 10074.82 10306.90 549.69 o
0 8 0 7693.53 8002.91 354.18 o
1 8 0 33281.22 33359.10 622.05 o
2 8 0 8517.07 8536.90 222.99 o
3 8 0 12282.57 11922.95 342.95 o
4 8 0 456.47 569.65 92.54 o
5 8 0 671.41 734.49 257.10 o
6 8 0 5.67 36.52 56.16 o
1 9 0 1929.30 2112.57 123.39 o
2 9 0 567.05 606.80 74.26 o
3 9 0 22824.04 22023.06 850.28 o
4 9 0 463.15 451.81 77.28 o
5 9 0 28660.52 27105.24 1269.93 o
0 10 0 18476.81 19693.78 661.15 o
1 10 0 19516.64 18458.67 476.19 o
2 10 0 7090.35 6771.48 270.13 o
3 10 0 9763.09 9193.30 557.35 o
4 10 0 2549.86 2530.37 266.40 o
5 10 0 1184.36 1458.20 215.86 o
1 11 0 1521.22 1745.81 163.90 o
2 11 0 6025.18 6322.60 351.57 o
3 11 0 3747.71 3509.82 225.79 o
4 11 0 8268.50 7619.80 496.96 o
5 11 0 2416.27 2304.36 306.31 o
0 12 0 34166.45 34008.88 1063.15 o
1 12 0 1152.96 1182.71 177.19 o
2 12 0 21978.26 22722.21 1079.65 o
3 12 0 446.53 476.14 110.96 o
4 12 0 5876.81 5660.22 685.04 o
5 12 0 14.96 25.38 94.10 o
1 13 0 2432.35 2508.79 226.34 o
2 13 0 4893.63 4441.82 330.35 o
3 13 0 5699.06 5353.91 367.14 o
4 13 0 7226.67 7019.95 1178.75 o
0 14 0 7257.01 6636.55 469.69 o
1 14 0 12958.63 12873.29 690.20 o
2 14 0 2340.56 2376.31 250.51 o
3 14 0 2713.23 2999.14 282.46 o
4 14 0 569.30 413.71 148.43 o
1 15 0 1327.68 1157.66 218.00 o
2 15 0 17.09 74.24 54.47 o
3 15 0 10080.94 9708.89 447.96 o
0 16 0 8491.28 8359.10 573.28 o
1 16 0 8021.05 7971.41 462.75 o
2 16 0 5951.43 6198.69 404.91 o
3 16 0 2995.83 3014.85 254.77 o
1 17 0 935.01 981.10 170.23 o
2 17 0 2007.88 1855.40 202.21 o
0 18 0 11014.83 11535.36 1073.20 o
-5 0 1 14237.84 13989.47 355.84 o
-3 0 1 33795.68 33305.48 533.21 o
-1 0 1 15562.60 15606.46 477.33 o
1 0 1 7412.95 7426.39 155.26 o
3 0 1 5971.65 5977.35 132.19 o
5 0 1 15177.74 15182.52 453.34 o
-6 1 1 284.89 212.64 53.12 o
-5 1 1 1389.76 1378.47 68.16 o
-4 1 1 19.47 32.09 14.19 o
-3 1 1 13112.71 13125.46 220.44 o
-2 1 1 1898.67 1866.94 50.20 o
-1 1 1 46988.04 43291.14 658.75 o
1 1 1 42856.77 40849.17 838.18 o
2 1 1 18872.20 18501.21 268.99 o
3 1 1 26684.72 26174.30 296.51 o
4 1 1 3169.34 3216.98 92.07 o
5 1 1 5909.11 5929.10 189.52 o
6 1 1 394.53 359.95 87.63 o
-6 2 1 13915.24 13885.13 451.64 o
-5 2 1 3901.56 3893.24 140.69 o
-4 2 1 41972.77 40725.54 550.08 o
-3 2 1 4507.55 4591.58 134.31 o
-2 2 1 39942.64 38106.79 418.25 o
-1 2 1 4741.15 4804.12 101.41 o
0 2 1 9390.83 9784.93 494.95 o
1 2 1 104.48 100.56 17.49 o
2 2 1 5669.57 6105.32 106.47 o
3 2 1 6196.69 6156.28 106.25 o
4 2 1 22428.03 21919.34 318.06 o
5 2 1 10141.61 9992.97 257.21 o
6 2 1 17969.79 18523.77 614.83 o
-6 3 1 762.19 793.52 104.98 o
-5 3 1 463.33 430.97 47.44 o
-4 3 1 4555.98 4693.00 156.93 o
-3 3 1 190.63 224.35 32.87 o
-2 3 1 29703.18 29427.99 342.28 o
-1 3 1 2340.65 2423.83 80.16 o
0 3 1 50107.96 50074.14 878.36 o
1 3 1 2807.53 2981.36 107.81 o
2 3 1 36597.03 35634.64 387.53 o
3 3 1 1029.92 1071.19 51.29 o
4 3 1 10190.26 10573.96 219.67 o
5 3 1 5.47 14.78 26.02 o
6 3 1 1201.06 1200.81 148.78 o
-6 4 1 14793.57 15070.32 507.61 o
-5 4 1 6985.51 7274.17 331.99 o
-4 4 1 41308.75 40839.62 579.25 o
-3 4 1 5301.11 5289.13 132.45 o
-2 4 1 32380.32 32294.45 548.20 o
-1 4 1 5881.94 5730.10 127.77 o
0 4 1 4749.22 5197.55 148.76 o
1 4 1 3290.40 3350.44 107.01 o
2 4 1 1619.84 1546.35 52.82 o
3 4 1 3477.65 3541.94 110.63 o
4 4 1 21660.21 21156.76 362.52 o
5 4 1 4359.11 4542.26 214.88 o
6 4 1 21131.67 21176.90 675.27 o
-6 5 1 135.21 116.48 51.81 o
-5 5 1 424.21 425.22 78.93 o
-4 5 1 98.66 87.51 27.41 o
-3 5 1 7088.30 6957.14 174.06 o
-2 5 1 7541.21 7507.14 207.91 o
-1 5 1 68224.83 66545.55 1065.27 o
0 5 1 21418.76 21820.81 343.55 o
1 5 1 86603.10 82554.60 1251.46 o
2 5 1 12504.89 12184.49 215.50 o
3 5 1 30791.89 30380.11 453.00 o
4 5 1 4121.84 4128.03 134.36 o
5 5 1 2196.38 2458.80 235.73 o
6 5 1 533.11 551.09 175.49 o
-6 6 1 48.65 57.13 43.18 o
-5 6 1 17459.14 17244.72 559.23 o
-4 6 1 93.27 118.69 36.64 o
-3 6 1 21539.75 21908.74 381.56 o
-2 6 1 673.17 843.29 62.85 o
-1 6 1 25052.20 26438.98 464.14 o
0 6 1 602.67 805.15 60.21 o
1 6 1 41.97 110.12 24.75 o
2 6 1 4.06 52.43 37.82 o
3 6 1 7043.15 7135.65 165.59 o
4 6 1 382.26 440.52 44.01 o
5 6 1 7704.24 7871.11 362.02 o
6 6 1 57.73 48.61 52.98 o
-6 7 1 821.31 903.02 132.77 o
-5 7 1 221.47 209.61 70.96 o
-4 7 1 416.17 449.15 44.76 o
-3 7 1 8683.06 9171.41 344.99 o
-2 7 1 3568.32 3706.44 131.55 o
-1 7 1 45349.65 45160.15 631.61 o
0 7 1 6275.79 6577.22 191.64 o
1 7 1 35949.88 35244.39 626.30 o
2 7 1 7242.95 7755.36 222.32 o
3 7 1 35998.48 35097.40 548.80 o
4 7 1 1124.21 1162.20 79.71 o
5 7 1 3228.92 3303.98 241.11 o
6 7 1 99.36 88.79 174.22 o
-6 8 1 13951.27 13324.97 681.69 o
-5 8 1 5045.39 5100.29 392.21 o
-4 8 1 18241.34 19327.66 657.39 o
-3 8 1 5142.24 5082.54 259.16 o
-2 8 1 21775.95 20785.02 395.08 o
-1 8 1 6011.46 6568.66 203.17 o
0 8 1 4257.86 4489.21 166.65 o
1 8 1 961.47 1014.20 83.78 o
2 8 1 10799.48 11138.85 263.41 o
3 8 1 4635.95 4470.89 189.31 o
4 8 1 10765.53 11363.20 485.69 o
5 8 1 2087.18 2023.35 435.60 o
6 8 1 12411.07 13088.22 842.06 o
-6 9 1 1160.76 1109.25 200.30 o
-5 9 1 836.60 768.14 149.33 o
-4 9 1 763.27 708.57 149.90 o
-3 9 1 25.28 57.68 33.89 o
-2 9 1 9732.85 9599.53 351.80 o
-1 9 1 349.97 417.60 58.10 o
0 9 1 21146.62 21851.08 448.57 o
1 9 1 141.37 183.09 26.30 o
2 9 1 28216.54 27465.70 794.93 o
3 9 1 797.04 785.43 96.36 o
4 9 1 7849.53 7521.13 348.90 o
5 9 1 27.61 -82.80 106.62 o
-5 10 1 4585.56 4372.74 385.52 o
-4 10 1 17820.35 16587.15 954.73 o
-3 10 1 2881.30 2453.84 193.49 o
-2 10 1 13202.26 12423.25 408.81 o
-1 10 1 685.82 837.19 102.38 o
0 10 1 762.21 765.00 87.08 o
1 10 1 343.82 423.58 65.95 o
2 10 1 1710.21 1542.74 129.06 o
3 10 1 313.65 486.01 83.73 o
4 10 1 16354.31 16559.86 691.08 o
5 10 1 3365.90 3412.87 333.71 o
-5 11 1 192.79 187.53 98.94 o
-4 11 1 277.67 259.62 86.18 o
-3 11 1 5985.40 6104.41 438.45 o
-2 11 1 1372.10 1497.55 143.90 o
-1 11 1 23394.86 23892.56 641.66 o
0 11 1 11627.95 12094.35 381.31 o
1 11 1 40560.35 40050.36 712.54 o
2 11 1 2970.28 2884.98 212.46 o
3 11 1 15272.34 14314.25 897.49 o
4 11 1 1277.88 1133.94 260.94 o
5 11 1 2271.18 2224.77 280.36 o
-5 12 1 9904.70 8916.79 1630.32 o
-4 12 1 527.10 473.43 264.69 o
-3 12 1 16855.00 15834.90 610.61 o
-2 12 1 130.14 22.75 44.54 o
-1 12 1 2630.47 2605.12 265.61 o
0 12 1 311.40 361.94 69.99 o
1 12 1 7.69 16.65 30.22 o
2 12 1 139.14 80.55 44.00 o
3 12 1 4495.35 4424.21 324.14 o
4 12 1 124.38 5.75 112.05 o
5 12 1 10086.78 9817.56 1720.81 o
-4 13 1 73.01 32.47 97.25 o
-3 13 1 2747.78 2590.89 322.39 o
-2 13 1 3272.23 2619.20 347.54 o
-1 13 1 15637.87 16945.94 745.31 o
0 13 1 6257.49 6164.29 265.06 o
1 13 1 30367.22 29805.24 643.44 o
2 13 1 2026.16 1978.56 162.29 o
3 13 1 10728.21 10648.32 639.22 o
4 13 1 1562.13 1401.45 227.89 o
-4 14 1 15211.18 14376.24 1157.03 o
-3 14 1 3976.41 3966.20 320.98 o
-2 14 1 11900.73 11177.92 539.45 o
-1 14 1 703.62 746.22 161.73 o
0 14 1 866.41 1021.64 143.27 o
1 14 1 13.66 18.55 61.28 o
2 14 1 953.49 1096.40 126.72 o
3 14 1 584.18 377.39 100.87 o
4 14 1 7011.62 6656.04 684.64 o
-3 15 1 128.00 186.75 68.18 o
-2 15 1 6181.33 5937.74 401.04 o
-1 15 1 218.97 7.73 68.88 o
0 15 1 15592.71 15696.30 546.54 o
1 15 1 714.43 829.12 142.68 o
2 15 1 14910.73 14434.91 558.49 o
3 15 1 2.23 80.51 51.68 o
-3 16 1 2214.34 2085.19 245.31 o
-2 16 1 7129.16 6994.40 380.47 o
-1 16 1 315.93 353.06 115.20 o
0 16 1 1495.24 1283.30 156.46 o
1 16 1 95.09 123.84 52.48 o
2 16 1 1554.69 1346.04 168.13 o
3 16 1 570.36 640.36 120.51 o
-2 17 1 3571.31 3552.10 278.18 o
-1 17 1 9621.52 9989.30 538.68 o
0 17 1 3713.09 3418.27 412.96 o
1 17 1 13029.17 12856.63 882.59 o
2 17 1 2768.89 2328.89 226.39 o
0 18 1 60.60 52.37 53.29 o
-6 0 2 10147.04 10094.34 546.77 o
-4 0 2 6.40 38.61 25.93 o
-2 0 2 11801.25 12004.79 361.50 o
2 0 2 125393.00 107151.14 1535.17 o
4 0 2 26737.40 26922.98 626.92 o
6 0 2 4950.70 5148.80 608.14 o
-6 1 2 10208.96 10199.17 387.55 o
-5 1 2 5136.69 5096.91 137.77 o
-4 1 2 30891.84 29845.66 392.41 o
-3 1 2 24819.90 24409.44 311.98 o
-2 1 2 33268.80 33148.94 447.36 o
-1 1 2 2624.53 2709.14 135.12 o
0 1 2 11072.25 11475.85 208.58 o
1 1 2 393.89 436.18 30.59 o
2 1 2 1590.93 1777.22 65.41 o
3 1 2 717.36 683.51 39.08 o
4 1 2 4625.76 4590.78 110.48 o
5 1 2 4357.21 4414.89 200.03 o
6 1 2 6914.52 7320.15 513.34 o
-6 2 2 836.96 894.11 100.39 o
-5 2 2 2696.89 2609.99 118.46 o
-4 2 2 27.80 45.86 21.54 o
-3 2 2 1866.80 1924.32 86.69 o
-2 2 2 6427.97 6630.93 182.39 o
-1 2 2 12780.47 12629.89 200.33 o
0 2 2 13846.22 14041.23 265.98 o
1 2 2 43395.16 41836.12 551.41 o
2 2 2 43174.47 42698.77 465.04 o
3 2 2 15735.91 15746.37 250.02 o
4 2 2 7130.34 7065.31 148.05 o
5 2 2 8589.49 8808.10 250.29 o
6 2 2 278.83 314.89 100.05 o
-6 3 2 210.62 125.37 44.53 o
-5 3 2 35603.79 33987.38 542.99 o
-4 3 2 2246.56 2236.93 122.52 o
-3 3 2 48900.38 47562.16 593.64 o
-2 3 2 14.28 26.14 13.09 o
-1 3 2 57859.22 56207.71 1231.27 o
0 3 2 5798.81 5930.54 274.95 o
1 3 2 13659.08 13794.75 213.04 o
2 3 2 385.96 466.69 32.75 o
3 3 2 13797.32 13936.95 265.01 o
4 3 2 910.81 1088.52 111.49 o
5 3 2 19984.21 20753.93 390.91 o
6 3 2 23.16 -32.98 62.61 o
-6 4 2 2344.33 2357.59 181.41 o
-5 4 2 1466.60 1548.13 125.63 o
-4 4 2 20.95 33.71 21.67 o
-3 4 2 688.97 759.07 58.77 o
-2 4 2 2704.11 2730.58 98.83 o
-1 4 2 15131.85 14967.64 245.37 o
0 4 2 40056.50 40762.41 578.16 o
1 4 2 26794.41 26010.04 329.58 o
2 4 2 12102.10 12266.79 190.58 o
3 4 2 32344.50 31595.96 435.60 o
4 4 2 9135.50 9254.33 253.72 o
5 4 2 5215.03 4941.55 185.16 o
6 4 2 491.10 520.08 133.20 o
-6 5 2 5437.13 5715.13 328.00 o
-5 5 2 6448.08 6627.06 466.50 o
-4 5 2 14592.75 14748.43 352.55 o
-3 5 2 6835.99 6832.85 194.17 o
-2 5 2 28515.68 29239.11 407.42 o
-1 5 2 4151.00 4231.73 132.84 o
0 5 2 1900.65 1955.45 87.53 o
1 5 2 794.74 809.44 52.98 o
2 5 2 345.35 409.70 39.92 o
3 5 2 2084.91 2012.86 67.83 o
4 5 2 4782.82 4809.81 133.79 o
5 5 2 1961.46 1707.04 136.33 o
6 5 2 7509.72 8019.56 1756.51 o
-6 6 2 7623.90 7704.90 391.36 o
-5 6 2 289.79 337.10 76.29 o
-4 6 2 1032.19 899.54 92.80 o
-3 6 2 81.54 46.35 21.27 o
-2 6 2 15665.48 15705.38 273.05 o
-1 6 2 383.31 310.55 59.03 o
0 6 2 76483.34 75268.95 1232.41 o
1 6 2 685.93 714.84 54.92 o
2 6 2 51404.73 48442.36 627.98 o
3 6 2 3.69 18.31 13.17 o
4 6 2 30031.25 29762.19 434.92 o
5 6 2 94.58 96.36 39.41 o
6 6 2 3189.27 3179.23 388.14 o
-6 7 2 5871.19 5640.67 339.93 o
-5 7 2 8407.84 8153.26 381.56 o
-4 7 2 12045.72 11662.25 361.67 o
-3 7 2 17045.39 17329.50 640.26 o
-2 7 2 17635.17 17795.36 288.19 o
-1 7 2 15173.15 15979.37 360.26 o
0 7 2 2182.24 2295.03 100.63 o
1 7 2 536.78 515.89 49.81 o
2 7 2 111.37 125.24 26.95 o
3 7 2 605.55 583.37 54.13 o
4 7 2 4406.61 4564.06 152.07 o
5 7 2 3743.29 3905.96 226.28 o
6 7 2 7074.17 7654.71 1090.95 o
-6 8 2 1237.42 1148.63 197.63 o
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-4 8 2 200.69 204.01 77.34 o
-3 8 2 1152.71 1063.16 357.75 o
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0 8 2 12877.72 13389.31 279.96 o
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3 8 2 13333.79 12994.06 332.54 o
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1 9 2 4523.61 4642.67 164.17 o
2 9 2 6.17 11.30 18.61 o
3 9 2 2483.52 2255.35 126.30 o
4 9 2 7.12 74.35 21.62 o
5 9 2 15693.98 15877.76 591.76 o
-5 10 2 232.70 140.10 75.71 o
-4 10 2 4.31 23.55 71.13 o
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3 10 2 17461.88 16674.96 480.89 o
4 10 2 3790.93 3899.19 195.00 o
5 10 2 3853.26 3727.09 348.88 o
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-3 11 2 7601.79 7392.98 337.72 o
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0 11 2 11091.73 11247.27 365.12 o
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3 11 2 184.84 202.71 50.50 o
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0 12 2 26908.35 26934.36 629.78 o
1 12 2 0.80 -0.17 30.04 o
2 12 2 27312.63 27298.56 657.29 o
3 12 2 56.66 72.79 42.96 o
4 12 2 12467.35 12408.79 811.59 o
-4 13 2 10932.12 10368.61 634.97 o
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1 13 2 530.58 498.32 77.06 o
2 13 2 80.90 106.14 43.97 o
3 13 2 1522.50 1505.72 152.27 o
4 13 2 2417.83 2299.86 286.62 o
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0 14 2 1567.81 1820.57 205.98 o
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-2 2 17 13001.01 12845.52 485.07 o
-1 2 17 4624.02 4404.06 232.70 o
0 2 17 13410.98 12385.77 558.32 o
1 2 17 3971.95 3269.97 386.39 o
-3 3 17 5.97 -9.54 49.35 o
-2 3 17 1004.92 830.18 135.35 o
-1 3 17 179.03 149.22 50.31 o
0 3 17 437.72 392.80 149.37 o
1 3 17 4.71 106.92 130.20 o
-3 4 17 2137.88 2083.83 292.82 o
-2 4 17 15317.86 14899.62 607.38 o
-1 4 17 3464.22 3494.65 241.54 o
0 4 17 11556.11 11372.37 842.98 o
1 4 17 4096.61 4453.69 456.07 o
-3 5 17 2217.46 1864.67 297.25 o
-2 5 17 794.08 630.11 120.88 o
-1 5 17 576.99 653.88 128.63 o
0 5 17 71.77 -50.54 50.54 o
-2 6 17 32.46 38.94 46.46 o
-1 6 17 12334.27 12101.43 480.87 o
0 6 17 572.18 630.41 128.41 o
-1 7 17 132.93 151.09 61.47 o
-2 0 18 2393.19 2507.76 300.23 o
0 0 18 353.67 504.45 212.55 o
-2 1 18 7003.55 7421.44 369.13 o
-1 1 18 6511.06 6459.06 395.09 o
0 1 18 11128.16 11445.14 722.32 o
-2 2 18 803.91 745.76 116.29 o
-1 2 18 686.45 655.18 132.64 o
0 2 18 192.48 502.27 158.45 o
-2 3 18 23.69 15.86 50.55 o
-1 3 18 16027.08 16332.62 661.42 o
-1 4 18 1022.21 978.04 163.87 o