FILEID collect Tue Oct 17 1 4.00 08/03/07 14:07:16 2007src1054 SITEID Southampton TITLE /home/diska/2007src1054 CHEM C11 H11 N1 O1 CELL 9.7504 10.2281 14.0530 95.7663 107.8415 96.6167 1311.459 CELLSD 0.0003 0.0003 0.0005 0.0020 0.0015 0.0020 0.074 ORT1 5.1536662e-02 -6.7042747e-03 -5.1162840e-02 ORT2 9.5467042e-02 1.6690596e-02 5.5351993e-02 ORT3 -4.3626921e-03 -9.7663275e-02 1.9800573e-03 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 Plate DNSMET ? CCOLOR Pale Orange CSIZE 0.3 x 0.08 x 0.04 ADPAR 304.9099 285.6592 3.5000 512 ADCOR -0.5531 0.2497 0.0000 -0.0260 -0.4325 0.0075 BRAVAIS Triclinic P REF1K 0 0 0 0.000 0.000 0.000 0.000 348.29 63.92 106.50 4.44 0.119600 0.340177 0.580689 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 458.88 76.94 156.00 5.92 0.117532 0.599869 0.435811 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 63.89 97.83 1132.70 14.75 0.305960 -0.377975 0.683752 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 195.41 119.13 1303.76 16.40 0.146913 -0.111381 0.575927 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 397.33 154.94 779.00 17.19 0.033047 0.392900 0.302098 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 430.76 121.51 271.50 8.20 0.067371 0.504853 0.356380 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 506.92 149.32 1209.36 15.46 0.081746 0.664167 0.203258 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 533.78 93.92 271.50 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0.000 0.000 9.12 244.40 677.00 14.03 0.648874 0.325759 0.352438 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 130.15 213.44 299.38 7.66 0.382316 0.165386 0.369179 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 249.71 209.14 17859 76.83 0.073440 0.043094 0.289504 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 242.67 215.24 1039.00 7.10 0.099829 0.046146 0.277578 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 240.25 218.48 1420.00 19.62 0.110181 0.046934 0.270020 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 375.26 194.36 9903.90 60.40 -0.296819 0.005695 0.212009 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 438.95 202.97 4119.24 38.57 -0.460174 0.016216 0.121996 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 425.65 173.45 345.00 8.83 -0.451248 0.026875 0.220756 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 434.12 237.88 255.00 6.71 -0.415431 0.003249 0.022725 0.000 0.000 0.000 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214.00 386.03 829.06 16.60 0.343940 0.112751 -0.217510 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 347.78 368.84 6632.69 33.70 -0.040702 0.026991 -0.298145 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 336.38 372.75 594.60 6.94 -0.004313 0.031909 -0.299283 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 372.01 360.47 193.00 3.97 -0.118213 0.019598 -0.294837 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 375.12 357.49 468.00 7.96 -0.130064 0.017664 -0.288703 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 379.15 345.86 267.00 6.84 -0.153254 0.010535 -0.257444 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 368.27 342.95 204.00 4.75 -0.125079 0.008419 -0.239032 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 573.20 335.16 1856.56 21.23 -0.651103 0.110945 -0.360545 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 592.29 370.23 647.50 13.44 -0.654147 0.143820 -0.458740 0.000 0.000 0.000 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83.92 526.01 155.67 5.47 0.676425 0.379342 -0.433971 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 127.97 503.45 776.80 16.69 0.592052 0.311482 -0.431841 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 117.93 499.21 134.00 6.10 0.610696 0.317226 -0.411209 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 270.00 515.87 365.00 9.55 0.276205 0.215535 -0.607204 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 384.09 542.03 217.00 10.00 0.002990 0.220193 -0.750880 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 546.89 515.12 387.00 11.26 -0.407332 0.232257 -0.766879 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 152.56 25.79 2820.37 29.02 -0.102681 -0.272204 0.795748 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 340.90 25.96 568.86 14.61 0.350551 -0.164050 0.667611 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 410.63 43.14 979.58 15.89 0.507326 -0.141507 0.563207 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 498.28 2.70 312.14 9.26 0.715604 -0.206894 0.551492 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 478.41 58.84 227.00 6.64 0.652395 -0.142206 0.456072 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 471.17 15.86 145.50 5.50 0.655653 -0.184075 0.554996 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 576.27 13.06 1102.89 13.71 0.856144 -0.232729 0.446510 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 614.44 42.63 220.76 6.85 0.911682 -0.231247 0.345951 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 168.02 114.81 838.00 16.43 -0.173329 -0.176977 0.602720 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 127.01 122.91 186.50 6.87 -0.278374 -0.215099 0.604653 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 210.64 107.18 22047 94.49 -0.059017 -0.143932 0.594568 0.000 0.000 0.000 0.000 REF1K 0 0 0 0.000 0.000 0.000 0.000 258.53 134.54 679.90 14.69 0.035147 -0.084414 0.490620 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