data_2019480
_cell_angle_alpha                108.733
_cell_angle_beta                 91.463
_cell_angle_gamma                106.893
_cell_length_a                   6.3800
_cell_length_b                   9.9376
_cell_length_c                   12.7899
_exptl_crystal_F_000             452.00
_reflns_d_resolution_high        0.8002
_[local]_cod_data_source_file    uk3089IIsup3.hkl
_[local]_cod_data_source_block   II
_shelx_title                     ' CHI4 in P-1 No.2'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            195.96
_shelx_f_squared_multiplier      1.000
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 14539.82 14516.46 304.00 o
2 0 0 3705.46 3535.68 108.38 o
3 0 0 20217.85 19785.88 319.52 o
4 0 0 11591.22 11684.45 306.36 o
5 0 0 7778.04 7822.78 177.51 o
6 0 0 4720.72 4637.67 137.32 o
7 0 0 5598.38 5401.50 239.22 o
-7 1 0 1755.40 1808.98 133.78 o
-6 1 0 3984.47 4020.00 119.32 o
-5 1 0 3028.47 3007.52 92.08 o
-4 1 0 9703.94 9789.84 271.99 o
-3 1 0 7149.55 6829.06 110.04 o
-2 1 0 638.56 631.68 20.82 o
-1 1 0 17412.70 16791.91 175.11 o
1 1 0 4257.75 4592.62 68.35 o
2 1 0 874.95 801.77 33.36 o
3 1 0 1107.14 1095.24 64.39 o
4 1 0 3119.72 3036.28 129.95 o
5 1 0 757.04 718.55 64.91 o
6 1 0 1449.40 1502.08 73.42 o
-7 2 0 62.79 54.46 30.91 o
-6 2 0 22.17 15.75 11.93 o
-5 2 0 1035.65 1045.75 118.75 o
-4 2 0 774.26 776.80 31.71 o
-3 2 0 29.13 42.02 8.09 o
-2 2 0 797.88 779.86 21.38 o
-1 2 0 5582.63 5974.85 95.85 o
0 2 0 1585.01 1600.65 26.30 o
1 2 0 147.68 167.84 10.33 o
2 2 0 1222.71 1345.47 43.95 o
3 2 0 1924.51 1882.09 67.19 o
4 2 0 1211.42 1348.66 87.06 o
5 2 0 2587.28 2662.07 139.48 o
6 2 0 1040.39 996.49 88.12 o
-7 3 0 2422.23 2427.94 164.01 o
-6 3 0 6428.35 6849.50 238.68 o
-5 3 0 9430.51 9768.28 194.68 o
-4 3 0 16447.81 16214.82 294.54 o
-3 3 0 9147.15 9216.97 190.55 o
-2 3 0 3284.64 3183.45 54.05 o
-1 3 0 29172.47 28763.70 305.07 o
0 3 0 19409.03 19161.72 281.99 o
1 3 0 10593.47 10308.38 840.63 o
2 3 0 8847.36 8778.76 158.17 o
3 3 0 11506.51 12162.89 238.96 o
4 3 0 12648.86 13056.38 376.68 o
5 3 0 6057.11 6176.40 240.23 o
6 3 0 6395.21 6313.23 259.42 o
-7 4 0 5527.76 5505.15 264.09 o
-6 4 0 3066.62 3231.79 87.08 o
-5 4 0 7752.97 7860.24 169.61 o
-4 4 0 13915.87 13489.80 229.55 o
-3 4 0 5361.54 5238.55 83.79 o
-2 4 0 4542.88 4656.35 75.58 o
-1 4 0 10267.28 10143.35 130.16 o
0 4 0 20419.61 20131.16 340.62 o
1 4 0 5343.18 4960.68 201.66 o
2 4 0 5213.06 4775.06 397.68 o
3 4 0 7102.58 7148.59 117.15 o
4 4 0 1079.62 1009.43 86.82 o
5 4 0 3425.10 3399.11 179.73 o
6 4 0 3445.21 3173.46 183.84 o
-7 5 0 235.91 261.21 61.56 o
-6 5 0 206.93 181.12 20.26 o
-5 5 0 6.27 23.74 14.18 o
-4 5 0 690.74 685.78 29.27 o
-3 5 0 2053.22 2105.48 51.80 o
-2 5 0 52.71 63.10 13.78 o
-1 5 0 115.43 121.40 28.50 o
0 5 0 0.47 13.94 7.41 o
1 5 0 0.49 18.79 23.98 o
2 5 0 138.68 105.28 30.17 o
3 5 0 469.59 385.45 53.92 o
4 5 0 123.71 181.23 42.83 o
5 5 0 122.23 131.11 41.05 o
-7 6 0 850.48 1011.70 115.46 o
-6 6 0 1709.95 1778.58 125.38 o
-5 6 0 6193.08 6341.97 136.14 o
-4 6 0 5068.83 4863.97 147.08 o
-3 6 0 2021.76 2088.04 143.78 o
-2 6 0 6760.56 6444.82 152.58 o
-1 6 0 11715.17 11550.68 220.94 o
0 6 0 9931.95 10018.52 193.58 o
1 6 0 7018.53 6952.33 248.24 o
2 6 0 4543.34 4917.47 211.75 o
3 6 0 3465.36 3713.89 190.12 o
4 6 0 3740.85 3588.56 197.40 o
5 6 0 4735.05 4817.45 245.36 o
-7 7 0 3593.41 3673.74 224.92 o
-6 7 0 3717.09 3732.40 128.76 o
-5 7 0 10849.97 11038.42 266.23 o
-4 7 0 12984.68 12991.10 290.77 o
-3 7 0 6270.05 6296.06 242.19 o
-2 7 0 4316.93 4075.99 148.28 o
-1 7 0 12631.75 12697.40 246.45 o
0 7 0 12314.94 12668.20 244.03 o
1 7 0 4954.05 5128.95 219.65 o
2 7 0 5348.40 5423.45 238.05 o
3 7 0 3532.83 3709.87 200.96 o
4 7 0 3191.20 3287.30 198.01 o
-7 8 0 1548.08 1508.33 143.57 o
-6 8 0 394.70 320.89 62.77 o
-5 8 0 772.44 876.82 67.73 o
-4 8 0 2422.95 2424.60 158.14 o
-3 8 0 584.21 548.44 46.34 o
-2 8 0 128.15 186.43 25.80 o
-1 8 0 1191.73 1143.53 58.40 o
0 8 0 1199.92 1232.68 103.89 o
1 8 0 410.03 338.19 60.22 o
2 8 0 414.34 395.05 66.09 o
3 8 0 135.78 124.44 43.51 o
-6 9 0 1588.13 1547.50 138.77 o
-5 9 0 3646.08 3716.66 237.49 o
-4 9 0 510.73 483.67 76.63 o
-3 9 0 492.97 530.00 57.97 o
-2 9 0 2287.78 2252.37 118.11 o
-1 9 0 1695.00 1886.32 135.11 o
0 9 0 1920.71 1806.73 137.19 o
1 9 0 2416.86 2360.77 163.93 o
2 9 0 1630.76 1824.96 149.20 o
-6 10 0 4997.93 4981.44 263.56 o
-5 10 0 8173.11 8351.22 474.19 o
-4 10 0 5061.29 4956.30 288.74 o
-3 10 0 3978.03 3989.74 144.80 o
-2 10 0 5824.84 5818.35 266.86 o
-1 10 0 6673.83 6405.48 284.84 o
0 10 0 5304.08 5438.91 267.41 o
1 10 0 6031.82 6416.88 305.23 o
-5 11 0 2751.69 2673.57 182.13 o
-4 11 0 3372.93 3091.48 274.89 o
-3 11 0 1659.48 1537.52 142.27 o
-2 11 0 1546.36 1486.26 136.77 o
-1 11 0 973.84 976.20 111.22 o
0 11 0 868.46 816.04 105.09 o
0 -11 1 4266.72 4529.79 250.69 o
1 -11 1 3600.56 3291.19 202.91 o
2 -11 1 4143.81 3846.64 217.64 o
3 -11 1 5532.72 5561.73 275.30 o
4 -11 1 4338.84 4208.10 506.77 o
5 -11 1 6241.20 5989.01 279.90 o
-2 -10 1 685.11 710.50 98.97 o
-1 -10 1 2446.73 2405.91 173.03 o
0 -10 1 3396.19 3237.10 194.79 o
1 -10 1 1337.88 1376.07 119.43 o
2 -10 1 1562.21 1608.72 128.52 o
3 -10 1 2238.96 2155.78 100.99 o
4 -10 1 1738.04 1745.16 145.64 o
5 -10 1 1710.27 1578.45 131.83 o
6 -10 1 753.32 768.43 98.63 o
-3 -9 1 15.64 17.20 27.71 o
-2 -9 1 755.43 701.63 90.98 o
-1 -9 1 111.63 191.60 45.65 o
0 -9 1 162.74 150.90 40.67 o
1 -9 1 408.63 441.46 63.54 o
2 -9 1 108.69 95.64 24.03 o
3 -9 1 1760.09 1701.77 85.12 o
4 -9 1 1418.32 1389.11 199.45 o
5 -9 1 905.88 881.16 71.28 o
6 -9 1 872.76 700.84 93.33 o
-4 -8 1 1657.42 1678.83 145.88 o
-3 -8 1 1985.20 1808.86 143.77 o
-2 -8 1 5241.83 5615.80 255.19 o
-1 -8 1 12579.84 12465.12 402.36 o
0 -8 1 6588.80 6975.52 265.23 o
1 -8 1 3669.45 3680.02 122.37 o
2 -8 1 12502.64 12481.64 256.90 o
3 -8 1 5515.26 5726.67 287.13 o
4 -8 1 8295.78 8587.91 588.02 o
5 -8 1 9972.78 9957.58 314.57 o
6 -8 1 2650.97 2317.93 167.85 o
7 -8 1 3033.12 2964.76 205.16 o
-4 -7 1 3813.03 4004.29 221.00 o
-3 -7 1 1684.94 1630.09 127.50 o
-2 -7 1 7854.32 7728.00 292.14 o
-1 -7 1 10337.53 10319.57 336.56 o
0 -7 1 3897.56 3821.54 72.89 o
1 -7 1 6491.08 6439.37 148.90 o
2 -7 1 3374.90 3272.66 102.79 o
3 -7 1 2640.83 2742.83 134.50 o
4 -7 1 4871.17 4789.04 150.98 o
5 -7 1 6166.75 6294.42 140.77 o
6 -7 1 2583.76 2664.01 108.86 o
7 -7 1 609.25 561.84 90.51 o
-5 -6 1 694.90 615.44 85.16 o
-4 -6 1 1116.50 1027.14 100.34 o
-3 -6 1 6.46 -5.94 19.83 o
-2 -6 1 37.99 41.97 22.67 o
-1 -6 1 247.54 325.86 48.13 o
0 -6 1 33.64 59.17 10.42 o
1 -6 1 4.79 10.64 8.68 o
2 -6 1 143.83 130.33 19.16 o
3 -6 1 107.45 54.71 21.11 o
4 -6 1 414.96 371.62 24.20 o
5 -6 1 275.44 249.17 44.64 o
6 -6 1 95.01 75.92 33.26 o
7 -6 1 1456.15 1229.31 125.60 o
-5 -5 1 2374.49 2493.88 160.93 o
-4 -5 1 2453.46 2538.65 150.92 o
-3 -5 1 2722.99 2703.25 146.15 o
-2 -5 1 7731.30 7806.06 261.33 o
-1 -5 1 9619.18 10157.33 296.33 o
0 -5 1 4974.06 4800.16 87.29 o
1 -5 1 9771.49 9496.24 179.03 o
2 -5 1 5112.37 5088.85 113.04 o
3 -5 1 12389.96 12843.16 190.50 o
4 -5 1 13506.31 13679.02 212.08 o
5 -5 1 5366.25 5734.08 139.11 o
6 -5 1 4856.27 4859.26 192.56 o
7 -5 1 3429.49 3497.43 208.62 o
-6 -4 1 6116.89 6184.47 269.25 o
-5 -4 1 9654.98 9479.50 332.10 o
-4 -4 1 2551.48 2492.50 75.39 o
-3 -4 1 6504.16 6427.52 168.57 o
-2 -4 1 13026.63 13289.86 361.23 o
-1 -4 1 7035.65 6900.57 212.63 o
0 -4 1 20395.93 21149.81 229.98 o
1 -4 1 20995.33 20837.52 269.42 o
2 -4 1 12210.65 12910.19 155.89 o
3 -4 1 5197.84 5080.31 90.25 o
4 -4 1 14628.76 14677.96 206.64 o
5 -4 1 13371.43 13985.82 255.64 o
6 -4 1 516.01 679.68 66.67 o
-6 -3 1 1216.47 1308.62 109.92 o
-5 -3 1 2401.22 2476.42 87.85 o
-4 -3 1 2740.81 2589.54 65.65 o
-3 -3 1 1039.60 1050.61 33.31 o
-2 -3 1 1761.08 1733.76 70.47 o
-1 -3 1 4150.57 4476.15 103.71 o
0 -3 1 5413.68 5503.01 83.60 o
1 -3 1 7141.46 7194.76 91.29 o
2 -3 1 55.93 52.71 6.09 o
3 -3 1 38.18 53.56 9.33 o
4 -3 1 1785.71 1780.17 78.40 o
5 -3 1 919.78 848.35 35.42 o
6 -3 1 27.39 41.41 13.61 o
7 -3 1 11.19 11.02 21.35 o
-7 -2 1 880.25 784.92 86.10 o
-6 -2 1 1299.51 1396.37 107.80 o
-5 -2 1 233.51 199.30 32.82 o
-4 -2 1 718.14 699.65 40.23 o
-3 -2 1 3563.31 3705.06 145.24 o
-2 -2 1 4199.21 3990.19 97.30 o
-1 -2 1 6864.79 7190.23 134.24 o
0 -2 1 18170.39 18800.11 227.17 o
1 -2 1 2954.70 2856.54 44.04 o
2 -2 1 2204.04 2211.93 38.09 o
3 -2 1 10444.04 10489.46 148.55 o
4 -2 1 6111.66 6067.47 105.98 o
5 -2 1 2760.74 2821.13 84.60 o
6 -2 1 3176.21 3243.31 100.67 o
7 -2 1 3521.46 3445.21 175.52 o
-7 -1 1 2626.67 2566.91 151.04 o
-6 -1 1 8307.25 8272.16 201.43 o
-5 -1 1 8721.00 8797.23 195.38 o
-4 -1 1 9176.17 9102.28 268.02 o
-3 -1 1 13552.09 12859.72 328.08 o
-2 -1 1 16299.94 15990.22 263.04 o
-1 -1 1 38399.48 38133.57 545.18 o
1 -1 1 13216.33 13207.49 263.94 o
2 -1 1 5413.41 5456.01 68.40 o
3 -1 1 10234.17 9997.63 144.67 o
4 -1 1 22749.53 22730.60 303.19 o
5 -1 1 8883.57 8726.44 185.39 o
6 -1 1 3980.20 4074.33 120.85 o
7 -1 1 4307.92 4146.24 202.41 o
-7 0 1 1506.44 1492.14 79.67 o
-6 0 1 5124.90 4955.87 116.49 o
-5 0 1 6754.60 6757.20 131.71 o
-3 0 1 4671.86 4567.28 107.72 o
-2 0 1 6686.99 6810.09 192.54 o
-1 0 1 6003.43 5791.42 71.52 o
1 0 1 5404.99 5730.91 68.97 o
2 0 1 784.03 728.11 27.53 o
3 0 1 3812.39 4090.28 78.82 o
4 0 1 6178.18 6274.28 191.36 o
5 0 1 2547.57 2559.49 221.40 o
6 0 1 238.09 271.91 30.76 o
7 0 1 738.76 729.89 83.54 o
-7 1 1 394.78 296.48 55.12 o
-6 1 1 158.24 132.54 17.35 o
-5 1 1 1.82 63.95 18.54 o
-4 1 1 341.88 365.74 26.83 o
-3 1 1 428.52 458.31 22.98 o
-2 1 1 441.66 512.53 16.72 o
-1 1 1 873.76 931.61 18.61 o
0 1 1 5555.01 5721.47 98.75 o
1 1 1 216.76 289.31 11.12 o
2 1 1 1314.36 1339.91 36.37 o
3 1 1 6416.92 6614.26 139.85 o
4 1 1 2058.29 2163.55 104.50 o
5 1 1 678.28 746.75 64.68 o
6 1 1 931.27 906.98 78.44 o
7 1 1 1396.36 1359.49 120.47 o
-7 2 1 6127.32 6101.88 269.79 o
-6 2 1 7223.19 7459.02 181.63 o
-5 2 1 5048.50 5259.29 108.83 o
-4 2 1 10204.65 10253.92 161.37 o
-3 2 1 7555.28 7489.84 92.66 o
-2 2 1 7492.00 7341.49 85.90 o
-1 2 1 34793.26 34856.52 363.89 o
0 2 1 37892.61 37075.12 379.94 o
1 2 1 11843.94 11600.71 205.68 o
2 2 1 8716.43 8716.42 160.47 o
3 2 1 18905.78 19168.97 322.17 o
4 2 1 10937.13 10932.83 315.93 o
5 2 1 4018.81 3998.27 174.69 o
6 2 1 4395.15 4092.10 189.11 o
-7 3 1 5091.14 5474.96 258.44 o
-6 3 1 5886.73 6075.06 156.78 o
-5 3 1 7137.60 7243.14 135.23 o
-4 3 1 10619.50 10365.23 141.53 o
-3 3 1 9293.07 9120.82 111.45 o
-2 3 1 5056.14 4953.05 108.58 o
-1 3 1 11728.02 11691.37 143.12 o
0 3 1 24183.36 24305.67 263.37 o
1 3 1 6533.86 6645.66 100.29 o
2 3 1 1696.21 1615.97 57.53 o
3 3 1 5656.21 5887.92 132.50 o
4 3 1 6241.29 6053.28 223.49 o
5 3 1 2382.24 2448.67 140.74 o
6 3 1 1468.91 1482.44 116.70 o
-7 4 1 182.98 210.17 57.51 o
-6 4 1 1064.40 1117.17 48.60 o
-5 4 1 638.59 640.97 43.05 o
-4 4 1 496.39 510.75 24.02 o
-3 4 1 793.85 756.67 41.20 o
-2 4 1 170.01 175.23 13.13 o
-1 4 1 264.69 337.92 24.88 o
0 4 1 1015.75 1009.12 41.80 o
1 4 1 272.89 302.63 14.94 o
2 4 1 251.30 241.96 31.52 o
3 4 1 76.72 76.34 16.54 o
4 4 1 34.40 -10.54 22.16 o
5 4 1 41.69 46.06 28.73 o
6 4 1 363.34 316.67 58.38 o
-7 5 1 2093.90 2122.58 161.37 o
-6 5 1 2313.37 2396.20 74.97 o
-5 5 1 5984.23 5981.78 126.14 o
-4 5 1 6923.93 6871.68 252.93 o
-3 5 1 3495.57 3514.10 112.80 o
-2 5 1 6282.35 6264.85 148.17 o
-1 5 1 16306.76 15974.13 280.71 o
0 5 1 8444.35 8527.27 195.61 o
1 5 1 2054.40 2009.40 44.37 o
2 5 1 6179.38 6040.95 439.94 o
3 5 1 8535.73 8943.92 308.31 o
4 5 1 4608.50 4821.60 222.00 o
5 5 1 5103.13 4965.98 238.10 o
-7 6 1 4317.46 4202.25 236.61 o
-6 6 1 4991.96 5030.59 163.72 o
-5 6 1 9687.72 10022.28 312.37 o
-4 6 1 10834.32 10270.83 242.01 o
-3 6 1 3852.28 3734.51 121.90 o
-2 6 1 4877.60 4994.52 139.48 o
-1 6 1 20083.14 20438.89 353.66 o
0 6 1 12771.98 12889.06 398.19 o
1 6 1 3292.20 2729.85 313.90 o
2 6 1 5764.77 5619.30 232.67 o
3 6 1 6391.69 6678.75 269.86 o
4 6 1 4288.75 4331.97 221.16 o
5 6 1 3333.83 3429.96 204.73 o
-7 7 1 891.37 775.52 101.08 o
-6 7 1 1047.91 959.94 71.14 o
-5 7 1 2020.47 2090.89 103.53 o
-4 7 1 2912.73 2936.34 118.77 o
-3 7 1 945.68 927.27 79.81 o
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0 7 1 1259.86 1285.33 63.63 o
1 7 1 436.14 444.89 64.08 o
2 7 1 83.03 58.01 32.04 o
3 7 1 191.14 176.71 47.10 o
4 7 1 107.36 66.92 38.92 o
-7 8 1 420.22 272.99 63.87 o
-6 8 1 685.96 620.09 87.10 o
-5 8 1 2211.61 2086.37 180.38 o
-4 8 1 869.39 906.68 68.15 o
-3 8 1 102.62 147.08 27.18 o
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0 8 1 2210.43 2371.80 151.02 o
1 8 1 1754.09 1708.52 132.38 o
2 8 1 2516.01 2685.83 175.41 o
3 8 1 2421.97 2639.94 182.53 o
-6 9 1 5750.96 5636.90 277.23 o
-5 9 1 8188.84 8282.63 247.01 o
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-3 9 1 3700.72 3561.07 133.81 o
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0 9 1 5637.20 5502.24 259.44 o
1 9 1 3242.23 3610.33 212.90 o
2 9 1 4405.34 4565.15 251.22 o
-5 10 1 3802.49 3898.46 239.97 o
-4 10 1 3352.97 3145.24 220.87 o
-3 10 1 652.61 685.53 59.69 o
-2 10 1 1191.89 1200.37 120.35 o
-1 10 1 2781.64 2736.86 182.44 o
0 10 1 2128.07 2111.69 164.58 o
1 10 1 1363.93 1325.39 134.51 o
-4 11 1 54.23 31.91 20.11 o
-3 11 1 147.37 170.22 53.22 o
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-1 11 1 418.87 548.10 87.91 o
2 -12 2 4506.46 4403.50 242.89 o
3 -12 2 6041.70 6154.62 299.27 o
-1 -11 2 4059.48 3978.19 236.12 o
0 -11 2 3292.17 3106.31 199.30 o
1 -11 2 971.83 965.58 105.39 o
2 -11 2 1047.87 966.37 102.27 o
3 -11 2 3397.75 3360.90 201.75 o
4 -11 2 1385.55 1284.62 112.81 o
5 -11 2 519.05 384.30 69.24 o
-2 -10 2 374.57 354.33 69.37 o
-1 -10 2 192.00 180.82 52.75 o
0 -10 2 8.33 -0.31 24.63 o
1 -10 2 585.84 609.59 78.01 o
2 -10 2 2259.71 2355.33 150.61 o
3 -10 2 411.38 451.14 44.61 o
4 -10 2 580.45 610.92 77.89 o
5 -10 2 1597.20 1466.73 128.89 o
6 -10 2 290.10 270.48 65.42 o
-3 -9 2 1983.05 2104.26 164.76 o
-2 -9 2 6631.10 6821.60 299.62 o
-1 -9 2 7329.59 7421.33 300.66 o
0 -9 2 3012.74 3114.43 173.72 o
1 -9 2 4250.80 4123.86 194.23 o
2 -9 2 5399.74 5328.20 149.00 o
3 -9 2 8651.31 8838.59 242.74 o
4 -9 2 6706.38 6873.24 323.65 o
5 -9 2 4030.07 3829.81 209.06 o
6 -9 2 3811.17 3784.39 223.75 o
-4 -8 2 2805.57 3284.93 206.52 o
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-2 -8 2 5073.22 5215.09 242.29 o
-1 -8 2 8377.72 8184.40 301.50 o
0 -8 2 3686.15 3896.54 182.27 o
1 -8 2 1730.11 1681.43 67.29 o
2 -8 2 8663.03 8557.42 193.81 o
3 -8 2 7550.27 7682.33 189.62 o
4 -8 2 4502.27 4770.92 379.68 o
5 -8 2 4672.44 4602.28 149.52 o
6 -8 2 2225.88 2282.75 105.77 o
7 -8 2 1168.61 1166.67 127.11 o
-4 -7 2 508.22 625.82 84.94 o
-3 -7 2 84.49 79.63 33.26 o
-2 -7 2 23.41 10.69 23.04 o
-1 -7 2 150.03 187.20 44.39 o
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