# # h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag # data_aptm _shelx_title ' cis-Diiodo(N-methylpiperazine-N,N')platinum(II) - P21/n' _shelx_refln_list_code 4 _shelx_F_calc_maximum 467.67 _exptl_crystal_F_000 960.00 _shelx_F_squared_multiplier 1.000 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 132048.13 119389.43 722.21 o 4 0 0 3000.87 2717.94 191.15 o 6 0 0 21705.91 19712.56 635.40 o 8 0 0 1275.24 1560.87 337.53 o 1 1 0 34091.59 38937.35 1544.70 o 2 1 0 11922.38 11460.44 1408.19 o 3 1 0 2719.62 2626.35 248.17 o 4 1 0 7058.33 6355.61 223.40 o 5 1 0 99.37 19.13 135.01 o 6 1 0 917.20 800.82 156.36 o 7 1 0 617.05 431.59 203.81 o 8 1 0 1736.11 2080.81 246.38 o 9 1 0 1299.64 1551.64 252.15 o 0 2 0 18785.61 22354.36 232.24 o 1 2 0 38467.29 50491.23 4445.18 o 2 2 0 41871.39 47725.91 1625.85 o 3 2 0 119366.58 120486.00 705.92 o 4 2 0 6397.58 6496.18 459.71 o 5 2 0 12637.50 12909.58 329.92 o 6 2 0 131.76 173.78 133.43 o 7 2 0 2745.13 2431.32 251.43 o 8 2 0 177.69 20.77 234.12 o 9 2 0 2541.76 3287.13 315.84 o 1 3 0 7443.53 8866.01 979.30 o 2 3 0 1733.99 1834.77 305.28 o 3 3 0 14168.83 15451.58 300.50 o 4 3 0 82.74 78.04 130.73 o 5 3 0 29264.87 29429.81 1264.51 o 6 3 0 1075.99 945.52 209.74 o 7 3 0 5982.20 6473.91 498.57 o 8 3 0 101.99 33.39 234.46 o 9 3 0 119.77 111.40 255.82 o 0 4 0 30485.18 34998.34 427.05 o 1 4 0 4412.44 4620.24 135.87 o 2 4 0 970.86 953.04 122.17 o 3 4 0 10389.32 10432.84 1337.07 o 4 4 0 23822.97 25162.07 1055.44 o 5 4 0 8849.81 9005.76 705.65 o 6 4 0 16042.72 17540.25 466.95 o 7 4 0 2325.94 2516.92 419.72 o 8 4 0 250.39 249.76 199.59 o 9 4 0 35.82 151.89 253.60 o 1 5 0 4446.31 4825.25 167.33 o 2 5 0 35671.84 41662.85 3295.59 o 3 5 0 5344.04 5399.61 651.65 o 4 5 0 16939.12 17107.25 971.90 o 5 5 0 2958.55 2998.99 252.71 o 6 5 0 1529.02 1239.60 289.90 o 7 5 0 8.55 87.37 204.53 o 8 5 0 5422.77 7656.73 437.53 o 9 5 0 459.05 328.24 492.12 o 0 6 0 962.62 1372.27 142.40 o 1 6 0 4531.20 5042.39 162.03 o 2 6 0 11.55 64.83 112.97 o 3 6 0 5568.52 5256.89 754.63 o 4 6 0 25.39 79.30 132.39 o 5 6 0 1676.88 1918.24 208.14 o 6 6 0 301.30 192.88 189.90 o 7 6 0 6000.66 6324.68 344.95 o 8 6 0 569.46 435.63 203.29 o 1 7 0 53422.71 55831.91 2214.74 o 2 7 0 2626.15 2842.23 238.69 o 3 7 0 48.49 6.10 145.68 o 4 7 0 70.11 38.52 155.39 o 5 7 0 15363.81 16157.81 419.86 o 6 7 0 1712.61 1947.73 622.90 o 7 7 0 5426.05 5696.29 372.39 o 8 7 0 1545.89 1543.08 421.95 o 0 8 0 1996.33 2251.22 217.91 o 1 8 0 1115.74 1521.29 215.52 o 2 8 0 29.79 4.57 130.47 o 3 8 0 4099.06 4095.41 699.67 o 4 8 0 3631.24 4441.04 709.23 o 5 8 0 200.43 195.60 155.77 o 6 8 0 1552.95 1554.56 216.14 o 7 8 0 22.01 110.64 218.24 o 8 8 0 370.35 27.29 250.75 o 1 9 0 3480.78 3853.50 326.22 o 2 9 0 35221.25 35160.42 1976.69 o 3 9 0 44.35 163.81 160.28 o 4 9 0 18461.46 19431.08 2099.26 o 5 9 0 1784.92 1819.19 311.49 o 6 9 0 174.57 141.07 214.09 o 7 9 0 391.40 420.52 230.43 o 0 10 0 13814.62 14677.78 505.74 o 1 10 0 2031.54 2176.87 338.17 o 2 10 0 3635.16 3611.56 266.81 o 3 10 0 3259.94 3503.94 416.46 o 4 10 0 328.91 89.12 186.97 o 5 10 0 97.24 0.00 212.26 o 6 10 0 1718.36 1680.12 267.09 o 7 10 0 634.09 482.27 271.67 o 1 11 0 16433.01 15751.34 435.05 o 2 11 0 2598.70 2784.48 262.54 o 3 11 0 59.94 132.63 172.80 o 4 11 0 2693.90 2836.48 768.88 o 5 11 0 3708.16 4524.75 506.62 o 6 11 0 247.52 95.84 151.82 o 7 11 0 723.18 258.01 309.01 o 0 12 0 4082.91 3962.77 388.50 o 1 12 0 2109.77 1915.53 542.62 o 2 12 0 951.38 919.35 177.36 o 3 12 0 5788.94 6322.87 368.83 o 4 12 0 634.01 815.26 245.54 o 5 12 0 555.59 520.43 183.96 o 6 12 0 288.45 82.76 194.20 o 1 13 0 2205.13 2314.41 257.16 o 2 13 0 3493.49 3063.49 272.18 o 3 13 0 505.89 407.02 240.23 o 4 13 0 1035.39 521.64 268.12 o 5 13 0 1.70 70.35 220.10 o 0 14 0 3003.58 2949.86 393.28 o 1 14 0 650.16 250.94 263.46 o 2 14 0 371.96 202.83 166.76 o 3 14 0 1318.26 1389.19 218.84 o 4 14 0 1336.12 691.70 270.15 o 1 15 0 416.20 310.19 215.54 o 2 15 0 12.46 77.97 234.60 o 3 15 0 442.50 263.64 266.89 o 0 16 0 678.62 953.34 268.88 o -9 0 1 576.04 170.60 414.15 o -7 0 1 2784.99 2930.74 327.50 o -5 0 1 6223.99 5894.94 310.77 o -3 0 1 87316.11 85074.75 756.14 o -1 0 1 79792.05 78330.32 409.53 o 1 0 1 20928.69 20719.26 257.25 o 3 0 1 218718.30 196130.38 1180.80 o 5 0 1 57748.14 54685.42 900.62 o 7 0 1 22.64 15.93 262.35 o 9 0 1 3105.21 3114.09 489.01 o -9 1 1 2131.57 1763.80 470.38 o -8 1 1 613.37 791.03 231.45 o -7 1 1 579.17 763.79 233.84 o -6 1 1 8814.42 8074.00 439.79 o -5 1 1 8720.91 7800.35 325.43 o -4 1 1 3104.53 2531.25 186.05 o -3 1 1 17125.67 17533.82 354.10 o -2 1 1 2060.98 1952.71 111.34 o -1 1 1 7412.48 8573.85 141.77 o 0 1 1 5297.95 6849.24 125.20 o 1 1 1 31875.19 31108.52 378.95 o 2 1 1 9370.23 7452.14 241.00 o 3 1 1 4503.61 3865.45 217.91 o 4 1 1 14139.76 12323.81 428.64 o 5 1 1 981.36 838.02 184.93 o 6 1 1 3255.08 2412.74 301.53 o 7 1 1 1521.33 1858.10 312.68 o 8 1 1 85.69 155.78 356.17 o 9 1 1 5.42 401.73 348.20 o -9 2 1 122.82 159.13 341.04 o -8 2 1 65.97 12.74 296.44 o -7 2 1 2760.90 2779.90 325.27 o -6 2 1 7049.32 6941.30 369.07 o -5 2 1 5924.89 6295.55 298.82 o -4 2 1 14451.82 16293.12 440.11 o -3 2 1 2457.11 2653.11 151.16 o -2 2 1 20385.44 20589.44 305.51 o -1 2 1 11651.20 13730.97 210.58 o 0 2 1 183957.33 209453.09 745.31 o 1 2 1 60024.92 79360.13 672.99 o 2 2 1 70695.80 76214.98 798.67 o 3 2 1 19506.45 17649.14 445.53 o 4 2 1 3019.95 2831.83 258.37 o 5 2 1 6328.49 5458.65 352.98 o 6 2 1 25706.14 24560.18 779.40 o 7 2 1 726.88 592.07 295.96 o 8 2 1 4079.81 4455.61 500.32 o 9 2 1 33.36 28.19 197.04 o -9 3 1 3165.29 3916.58 489.49 o -8 3 1 5176.57 5262.57 447.44 o -7 3 1 3075.42 3282.13 366.36 o -6 3 1 8598.42 8822.66 438.04 o -5 3 1 78.80 15.93 192.74 o -4 3 1 3895.47 3459.58 212.49 o -3 3 1 5674.67 4924.24 197.36 o -2 3 1 50808.62 56402.70 529.31 o -1 3 1 60.74 114.37 104.17 o 0 3 1 40582.65 47355.45 442.34 o 1 3 1 5921.13 8233.77 238.45 o 2 3 1 6855.36 8687.10 325.90 o 3 3 1 7040.11 7249.53 329.09 o 4 3 1 9104.72 9072.10 398.70 o 5 3 1 27.51 163.11 252.15 o 6 3 1 129.12 307.74 307.74 o 7 3 1 31.29 129.18 193.69 o 8 3 1 4006.81 4144.52 549.23 o 9 3 1 68.88 346.93 433.74 o -9 4 1 1108.95 1158.03 305.83 o -8 4 1 671.66 614.85 216.95 o -7 4 1 8001.81 7429.20 443.30 o -6 4 1 32.68 311.57 211.85 o -5 4 1 987.30 1049.39 166.77 o -4 4 1 15284.22 17091.95 439.32 o -3 4 1 31546.80 31507.22 506.86 o -2 4 1 47192.32 56044.78 571.37 o -1 4 1 66437.97 74339.68 594.78 o 0 4 1 39607.54 46252.69 494.75 o 1 4 1 869.66 852.03 122.65 o 2 4 1 6956.44 8184.23 332.75 o 3 4 1 16841.36 19121.92 535.53 o 4 4 1 284.75 388.34 241.16 o 5 4 1 3311.86 3479.49 405.71 o 6 4 1 725.55 521.83 205.00 o 7 4 1 2663.03 2073.77 423.71 o 8 4 1 385.34 358.88 384.52 o 9 4 1 3037.50 4352.87 638.43 o -9 5 1 96.82 110.07 352.03 o -8 5 1 903.34 432.63 282.26 o -7 5 1 5086.68 5117.29 423.87 o -6 5 1 4910.26 4556.60 340.72 o -5 5 1 29846.75 31468.20 677.13 o -4 5 1 1865.74 1762.52 183.82 o -3 5 1 23008.11 23658.61 471.02 o -2 5 1 4854.73 4518.21 204.37 o -1 5 1 15641.11 17197.08 333.87 o 0 5 1 7341.33 8012.68 255.18 o 1 5 1 27288.77 32670.98 563.24 o 2 5 1 3322.42 4002.76 269.99 o 3 5 1 288.45 12.27 233.84 o 4 5 1 460.66 701.03 228.90 o 5 5 1 17478.74 17676.38 715.68 o 6 5 1 658.72 494.11 208.99 o 7 5 1 7073.91 7823.76 576.30 o 8 5 1 525.18 208.35 286.56 o -9 6 1 5.24 0.00 289.59 o -8 6 1 558.14 904.28 307.90 o -7 6 1 1373.76 1311.90 272.06 o -6 6 1 6584.85 6454.52 390.42 o -5 6 1 3266.88 2995.58 261.39 o -4 6 1 39576.05 40411.43 713.77 o -3 6 1 690.67 930.72 173.46 o -2 6 1 24751.68 25535.02 475.95 o -1 6 1 2473.40 2587.80 161.36 o 0 6 1 492.40 241.00 160.72 o 1 6 1 4470.78 5035.42 251.83 o 2 6 1 4213.87 4937.62 284.33 o 3 6 1 100.11 228.10 228.10 o 4 6 1 1354.87 1331.65 244.99 o 5 6 1 122.79 35.04 280.35 o 6 6 1 4178.51 3898.90 477.39 o 7 6 1 28.55 67.70 316.19 o 8 6 1 192.19 0.00 422.11 o -8 7 1 2023.78 1926.75 417.18 o -7 7 1 479.73 573.28 196.56 o -6 7 1 940.07 1183.51 233.99 o -5 7 1 7955.82 8269.29 413.99 o -4 7 1 11226.65 11282.07 414.15 o -3 7 1 11491.42 12062.26 372.26 o -2 7 1 41073.52 42665.84 657.38 o -1 7 1 7594.85 7722.14 291.34 o 0 7 1 1765.73 1465.61 158.49 o 1 7 1 143.53 371.46 176.49 o 2 7 1 35062.32 40773.34 797.40 o 3 7 1 251.20 654.04 174.42 o 4 7 1 31648.34 33043.23 908.26 o 5 7 1 1617.57 1503.84 334.19 o 6 7 1 1056.86 771.75 312.84 o 7 7 1 526.81 416.22 393.12 o 8 7 1 2303.75 2998.44 499.69 o -8 8 1 807.74 247.85 330.36 o -7 8 1 4986.15 5871.21 484.87 o -6 8 1 245.42 372.42 148.93 o -5 8 1 6115.22 6146.62 385.00 o -4 8 1 45.34 166.77 200.23 o -3 8 1 1699.56 1490.62 188.76 o -2 8 1 1330.52 1242.61 207.07 o -1 8 1 14866.33 15789.77 475.95 o 0 8 1 8526.19 9489.44 351.39 o 1 8 1 1662.93 1584.60 232.40 o 2 8 1 6826.08 7956.61 395.83 o 3 8 1 1368.15 1570.74 266.97 o 4 8 1 262.87 271.91 326.38 o 5 8 1 596.25 494.91 217.75 o 6 8 1 510.48 263.78 307.74 o 7 8 1 217.25 312.68 384.68 o 8 8 1 77.14 26.92 403.32 o -8 9 1 111.38 86.02 193.38 o -7 9 1 160.85 238.93 294.21 o -6 9 1 9.39 208.19 160.08 o -5 9 1 3798.51 4172.56 360.47 o -4 9 1 1278.18 1030.60 245.30 o -3 9 1 77.50 354.42 132.85 o -2 9 1 3978.07 3857.80 290.38 o -1 9 1 25836.65 26717.10 664.07 o 0 9 1 392.87 568.34 193.06 o 1 9 1 53989.14 56543.04 988.22 o 2 9 1 1007.51 677.13 197.52 o 3 9 1 5935.92 6207.78 455.41 o 4 9 1 1490.40 1766.19 313.96 o 5 9 1 5696.31 6174.81 551.77 o 6 9 1 10.33 0.00 325.90 o 7 9 1 4662.81 4175.26 509.24 o -7 10 1 552.14 273.82 312.84 o -6 10 1 19.81 0.00 274.77 o -5 10 1 3.72 210.90 226.03 o -4 10 1 3443.49 3560.25 392.65 o -3 10 1 3952.39 3722.25 285.44 o -2 10 1 441.38 15.93 129.98 o -1 10 1 3819.80 3885.04 296.12 o 0 10 1 5939.60 5463.43 344.54 o 1 10 1 946.09 322.56 268.88 o 2 10 1 7985.79 8757.83 452.70 o 3 10 1 6567.83 6814.03 534.09 o 4 10 1 268.82 17.52 361.58 o 5 10 1 2176.95 1914.49 387.39 o 6 10 1 344.33 371.30 346.61 o 7 10 1 1.75 107.20 241.32 o -7 11 1 17.75 0.00 334.66 o -6 11 1 1149.56 1090.97 314.28 o -5 11 1 0.61 196.88 245.94 o -4 11 1 1010.09 867.01 209.30 o -3 11 1 1443.77 1322.57 278.44 o -2 11 1 9962.04 10201.78 455.25 o -1 11 1 6505.86 6166.85 390.42 o 0 11 1 1766.47 1890.27 322.08 o 1 11 1 4901.92 5018.06 394.24 o 2 11 1 6563.70 6638.98 447.12 o 3 11 1 72.30 401.73 341.51 o 4 11 1 9854.34 10418.25 668.37 o 5 11 1 480.11 539.99 319.05 o 6 11 1 680.28 367.96 262.83 o -6 12 1 1923.96 1891.87 477.86 o -5 12 1 682.67 12.74 302.65 o -4 12 1 3639.57 3059.45 314.28 o -3 12 1 634.95 485.99 188.12 o -2 12 1 0.59 14.34 226.19 o -1 12 1 1909.14 2054.98 319.69 o 0 12 1 4674.38 4769.41 427.85 o 1 12 1 88.66 12.74 256.45 o 2 12 1 2556.96 2855.88 399.81 o 3 12 1 2880.19 2675.25 438.52 o 4 12 1 484.86 0.00 400.45 o 5 12 1 1094.78 450.15 450.15 o 6 12 1 2117.08 2104.84 449.03 o -5 13 1 2878.43 2241.35 350.75 o -4 13 1 445.61 184.30 276.37 o -3 13 1 3839.40 3573.00 385.32 o -2 13 1 136.78 0.00 269.99 o -1 13 1 84.68 256.93 239.89 o 0 13 1 502.33 713.93 232.08 o 1 13 1 3848.30 3277.99 383.41 o 2 13 1 1258.08 1202.15 379.58 o 3 13 1 467.52 238.45 381.65 o 4 13 1 940.65 839.13 297.71 o 5 13 1 904.87 428.33 314.12 o -4 14 1 1330.30 1222.54 305.67 o -3 14 1 2901.86 2846.00 350.91 o -2 14 1 74.59 226.35 188.60 o -1 14 1 2879.29 2597.20 365.57 o 0 14 1 1424.01 802.18 340.88 o 1 14 1 90.29 21.34 214.24 o 2 14 1 854.52 164.23 305.04 o 3 14 1 2166.78 1982.34 417.34 o 4 14 1 136.43 145.91 204.21 o -3 15 1 71.76 280.51 215.84 o -2 15 1 2324.07 2209.17 420.84 o -1 15 1 18.54 0.00 322.40 o 0 15 1 1738.47 1165.19 380.86 o 1 15 1 11.76 262.51 357.92 o 2 15 1 24.48 0.00 364.61 o 3 15 1 79.34 0.00 427.85 o 0 16 1 2102.59 1622.51 449.35 o -8 0 2 3214.55 3685.45 435.97 o -6 0 2 526.04 142.72 168.69 o -4 0 2 4759.66 4614.58 252.47 o -2 0 2 22671.45 23400.24 339.76 o 0 0 2 71009.99 69006.70 418.61 o 2 0 2 77275.95 71711.10 653.08 o 4 0 2 373.54 312.05 137.63 o 6 0 2 22683.58 22827.44 737.82 o 8 0 2 8905.76 10804.21 643.37 o -9 1 2 7138.10 8549.16 691.31 o -8 1 2 1223.50 1152.77 264.58 o -7 1 2 13669.46 14594.79 595.42 o -6 1 2 13706.98 14691.00 528.04 o -5 1 2 281.43 37.91 189.23 o -4 1 2 12208.08 13177.76 386.11 o -3 1 2 16695.70 16806.82 333.39 o -2 1 2 10465.63 10388.62 219.98 o -1 1 2 5268.71 5571.11 129.82 o 0 1 2 54517.61 70988.88 561.49 o 1 1 2 17680.37 16651.36 318.58 o 2 1 2 759.63 660.73 147.50 o 3 1 2 24593.34 21895.13 480.73 o 4 1 2 10557.19 9514.93 404.27 o 5 1 2 921.25 543.49 207.07 o 6 1 2 3110.97 3038.42 346.29 o 7 1 2 1197.58 1263.47 325.43 o 8 1 2 15.49 115.96 208.67 o 9 1 2 527.93 842.48 365.09 o -9 2 2 0.32 15.93 333.23 o -8 2 2 39.15 434.38 307.74 o -7 2 2 3228.87 3176.69 348.20 o -6 2 2 1349.44 1245.32 199.75 o -5 2 2 1739.93 1332.45 190.35 o -4 2 2 27758.16 29731.31 548.27 o -3 2 2 9467.14 9282.21 273.98 o -2 2 2 42670.05 48295.25 461.14 o -1 2 2 34315.59 39034.55 377.67 o 0 2 2 50905.59 67149.56 535.85 o 1 2 2 8403.04 9973.99 286.24 o 2 2 2 200.34 130.30 122.49 o 3 2 2 68189.09 62297.80 833.40 o 4 2 2 4962.63 4692.31 295.48 o 5 2 2 31604.46 29197.38 739.10 o 6 2 2 3110.22 2979.65 344.54 o 7 2 2 89.33 122.49 306.31 o 8 2 2 322.59 516.73 319.85 o 9 2 2 2309.57 2352.21 405.71 o -9 3 2 603.63 390.42 346.93 o -8 3 2 861.32 1243.72 280.35 o -7 3 2 20.03 17.52 245.30 o -6 3 2 17886.40 17587.65 562.77 o -5 3 2 19676.50 20802.57 541.58 o -4 3 2 18295.14 19294.27 431.51 o -3 3 2 53710.47 59145.33 648.78 o -2 3 2 347.42 362.22 70.72 o -1 3 2 5234.48 5680.70 167.57 o 0 3 2 17092.11 20170.99 327.50 o 1 3 2 21132.93 29049.72 492.36 o 2 3 2 1236.04 1212.02 219.50 o 3 3 2 16956.39 16555.31 500.01 o 4 3 2 4380.07 4292.34 308.38 o 5 3 2 445.64 957.80 247.22 o 6 3 2 4653.07 4336.78 469.42 o 7 3 2 3089.77 3481.88 443.62 o 8 3 2 236.12 333.23 358.72 o 9 3 2 175.76 296.12 266.49 o -9 4 2 18.01 106.72 298.82 o -8 4 2 838.85 462.10 302.17 o -7 4 2 2836.31 3037.63 360.95 o -6 4 2 4175.87 4929.18 353.78 o -5 4 2 6996.78 6946.88 328.45 o -4 4 2 44405.77 44921.68 692.59 o -3 4 2 352.25 370.35 123.45 o -2 4 2 32942.08 38430.21 493.16 o -1 4 2 27181.92 30634.96 412.88 o 0 4 2 8253.24 9358.34 251.68 o 1 4 2 48763.46 62282.99 744.67 o 2 4 2 36103.71 44980.94 759.01 o 3 4 2 19249.43 20619.55 575.35 o 4 4 2 1298.14 1098.61 222.53 o 5 4 2 1529.38 1565.01 274.29 o 6 4 2 4993.03 5129.24 443.46 o 7 4 2 54.76 367.16 321.28 o 8 4 2 2110.64 2751.70 524.06 o -9 5 2 747.32 603.70 301.85 o -8 5 2 1039.30 999.69 314.75 o -7 5 2 185.75 14.34 261.23 o -6 5 2 1778.34 1298.52 222.68 o -5 5 2 5860.14 6022.53 323.83 o -4 5 2 4268.84 4410.69 240.05 o -3 5 2 28383.02 29196.11 529.31 o -2 5 2 60222.80 65812.82 714.57 o -1 5 2 15375.71 16275.28 346.77 o 0 5 2 51416.48 58406.07 679.68 o 1 5 2 1195.35 1402.06 159.29 o 2 5 2 606.02 279.07 236.07 o 3 5 2 4065.51 4153.60 304.88 o 4 5 2 10345.64 11572.13 519.28 o 5 5 2 498.74 256.45 256.45 o 6 5 2 669.77 430.24 332.43 o 7 5 2 47.30 17.52 369.55 o 8 5 2 2443.58 3730.69 586.18 o -9 6 2 2.84 0.00 328.45 o -8 6 2 2630.06 2812.55 377.51 o -7 6 2 7044.55 6519.83 417.18 o -6 6 2 378.35 320.01 140.81 o -5 6 2 10189.90 9930.03 388.19 o -4 6 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