FILEID collect Tue Oct 17 1 4.00 03/11/09 08:32:44 2009src0288r SITEID Southampton TITLE /diska/2009src0288r CHEM CELL 7.7714 10.0042 10.1601 112.1444 103.5357 107.4544 641.846 CELLSD 0.0006 0.0007 0.0007 0.0038 0.0031 0.0034 0.089 ORT1 6.3334254e-02 7.9431058e-02 1.1147858e-01 ORT2 -1.2729087e-01 -4.0450237e-02 8.9310341e-03 ORT3 3.3127144e-02 -7.8622424e-02 2.4432798e-02 SOURCE MO 0.71073 0.70930 0.71359 2.00000 0.00 0.00 LIMITS -45.00 60.00 -210.00 210.00 -360.00 360.00 -100.00 100.00 -360.00 360.00 MORPH Fragment DNSMET ? CCOLOR Brown CSIZE 0.12 x 0.05 x 0.02 ADPAR 305.2109 285.4906 3.5000 512 ADCOR -0.5233 0.2677 0.0000 0.2699 -0.4823 0.1592 BRAVAIS Triclinic P REF1K 0 0 0 0.000 0.000 0.000 0.000 222.03 56.05 320.00 8.84 0.184213 0.025325 0.699178 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 499.04 22.61 364.62 9.46 0.185281 0.707199 0.510046 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 510.92 54.14 284.29 8.39 0.159707 0.719282 0.430357 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 270.09 152.15 170.50 3.02 0.063069 0.045676 0.433299 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 339.74 112.37 329.00 5.48 0.070342 0.274854 0.473027 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 444.33 145.10 393.71 8.10 0.052312 0.518807 0.279345 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 617.92 114.91 650.70 17.13 0.182661 0.890677 0.180928 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 555.14 150.86 1060.14 11.62 0.113163 0.760843 0.151603 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 176.03 248.15 5006.00 25.40 0.103344 -0.313985 0.234997 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 362.21 215.62 22928 83.22 -0.003956 0.237718 0.161281 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 455.55 202.92 2287.28 18.94 0.023478 0.500739 0.105589 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 470.56 171.34 698.00 12.81 0.046694 0.562949 0.180357 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 539.11 247.99 253.50 7.49 0.067776 0.658440 -0.098596 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 60.85 257.90 385.00 7.64 0.252844 -0.575461 0.288298 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 171.52 267.79 10747 48.80 0.107742 -0.346457 0.179763 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 153.55 319.70 1455.00 16.59 0.139295 -0.440418 0.038776 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 223.18 258.73 5453.00 27.99 0.053928 -0.202955 0.162363 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 204.23 318.01 2877.50 26.18 0.082060 -0.313783 -0.003451 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 211.98 333.64 6325.40 36.36 0.081121 -0.307919 -0.059050 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 531.16 317.12 1804.00 21.67 0.069507 0.577141 -0.287623 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 161.17 341.77 3322.64 22.65 0.139661 -0.441375 -0.034402 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 140.77 401.50 2940.00 23.76 0.202431 -0.529037 -0.187130 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 175.07 373.59 2092.20 17.73 0.142933 -0.432795 -0.142211 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 120.52 371.27 745.00 11.74 0.205797 -0.553673 -0.081751 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 195.41 394.89 4178.00 38.18 0.138098 -0.398166 -0.224698 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 257.73 408.58 862.20 11.63 0.098732 -0.246672 -0.327696 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 289.34 415.48 2714.00 25.53 0.087374 -0.165720 -0.378243 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 372.58 332.22 506.00 6.51 0.002904 0.147456 -0.210468 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 467.49 393.08 826.00 10.69 0.071045 0.344815 -0.457767 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 470.21 389.54 379.00 4.90 0.069583 0.355458 -0.449908 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 454.34 408.57 223.00 4.14 0.078285 0.295003 -0.490824 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 521.86 352.10 251.00 5.29 0.077324 0.520518 -0.378438 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 541.23 408.40 159.00 4.27 0.128477 0.505815 -0.533372 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 225.53 418.30 510.00 8.32 0.132132 -0.337784 -0.321941 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 357.66 474.80 512.50 6.40 0.135485 -0.023857 -0.590807 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 288.85 415.96 3840.00 21.83 0.088098 -0.167439 -0.379093 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 374.21 470.59 429.57 6.76 0.129170 0.023886 -0.593219 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 448.92 413.26 187.75 4.27 0.080389 0.276134 -0.499788 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 198.62 539.23 3340.36 22.62 0.292417 -0.453420 -0.587502 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 242.07 526.13 156.00 3.25 0.245929 -0.349596 -0.604042 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 245.99 527.57 117.60 2.73 0.245410 -0.340754 -0.610948 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 397.90 554.55 134.00 3.26 0.238012 0.022385 -0.783996 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 585.33 545.91 190.50 5.49 0.286230 0.455961 -0.828785 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 204.27 15.17 245.64 4.95 -0.025963 0.240269 0.788346 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 196.16 56.92 147.00 3.55 0.038603 0.203240 0.713091 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 411.73 36.11 471.50 9.81 -0.511301 0.148435 0.575696 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 381.11 82.11 221.14 5.63 -0.407055 0.096969 0.505331 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 402.13 84.07 1150.00 17.63 -0.458081 0.096236 0.478939 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 485.55 77.12 156.50 4.85 -0.656062 0.126691 0.405883 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 320.09 160.48 6565.00 46.36 -0.175084 0.034302 0.364306 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 351.29 156.37 5168.00 31.54 -0.265404 0.030824 0.344957 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 379.55 145.99 6395.00 38.84 -0.351431 0.037829 0.344693 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 380.39 123.62 1084.00 15.20 -0.372670 0.056728 0.403330 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 375.41 164.54 466.00 8.18 -0.323693 0.023857 0.297564 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 442.25 153.76 352.50 6.91 -0.507165 0.045318 0.258050 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 439.62 152.40 328.00 5.82 -0.501682 0.045317 0.264504 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 402.94 85.20 462.00 7.95 -0.459313 0.095184 0.475401 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 485.17 164.02 287.50 7.04 -0.602744 0.058892 0.185726 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 525.61 165.88 730.00 11.46 -0.691315 0.083497 0.140594 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 182.00 179.73 5288.86 32.41 0.219316 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274.22 71734 175 -0.228049 -0.012973 -0.037211 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 404.05 306.15 478.10 6.60 -0.263623 -0.003239 -0.158552 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 512.05 295.29 7041.92 29.96 -0.554484 0.049236 -0.213063 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 466.33 316.99 2707.67 18.77 -0.420388 0.025426 -0.242479 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 452.08 327.54 441.00 8.22 -0.372483 0.022165 -0.262672 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 76.07 365.03 1391.00 12.24 0.637207 0.260175 -0.023124 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 172.79 402.11 1294.72 16.72 0.457117 0.167247 -0.221806 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 98.80 375.59 1728.67 12.34 0.600529 0.236173 -0.073374 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 101.86 381.43 469.36 6.45 0.598074 0.235866 -0.092606 0.000 0.000 0.000 0.000 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0.000 238.62 471.32 2144.47 17.44 0.334482 0.180067 -0.474663 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 198.91 477.08 965.50 14.85 0.433165 0.217636 -0.447562 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 280.70 421.32 6469.00 37.38 0.193613 0.097815 -0.386026 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 320.57 418.53 2528.10 16.73 0.081327 0.078195 -0.415955 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 363.33 414.73 375.00 6.53 -0.041668 0.066597 -0.442531 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 494.45 452.13 460.50 10.43 -0.351516 0.138827 -0.618689 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 87.22 514.42 79.00 2.32 0.671354 0.366706 -0.413994 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 174.98 539.57 330.60 8.59 0.504348 0.311579 -0.563464 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 145.13 546.83 411.80 9.59 0.566570 0.345535 -0.546424 0.000 0.000 0.000 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0 0.000 0.000 0.000 0.000 171.04 248.01 263.00 5.88 -0.109268 0.326195 0.239330 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 180.24 243.67 374.00 5.85 -0.099330 0.298440 0.244868 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 203.12 195.88 3294.25 33.35 -0.089478 0.184629 0.366462 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 192.44 207.43 1661.72 21.50 -0.095467 0.225817 0.341616 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 383.36 247.84 583.00 7.63 0.011691 -0.264964 0.041478 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 589.14 240.10 623.43 10.88 -0.111216 -0.766172 -0.114209 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 581.47 206.92 365.07 8.32 -0.110707 -0.776078 -0.019336 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 60.59 291.92 161.37 4.12 -0.256359 0.608707 0.193982 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 46.55 309.98 298.00 7.35 -0.279946 0.649302 0.153610 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