FILEID collect Tue Sep 28 1 4.00 04/02/05 18:47:16 2005slh0248 SITEID Southampton TITLE /diska/2005slh0248 CHEM C13 H12 N6 I1 Br1 CELL 8.1564 14.1028 16.3803 90.9444 99.3127 100.9099 1823.602 CELLSD 0.0022 0.0038 0.0064 0.0245 0.0221 0.0206 0.897 ORT1 -3.7621600e-02 3.4230400e-02 -5.0556100e-02 ORT2 -4.1312200e-02 -6.3562400e-02 -3.1672500e-02 ORT3 -1.1366840e-01 -3.8990000e-03 1.6649300e-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 CutNeedle DNSMET ? CCOLOR Orange CSIZE 0.46 x 0.04 x 0.02 ADPAR 312.5000 288.0000 3.000000000512 ADCOR 1.1063 1.0444 0.0000 -0.3550 -0.2224 0.0247 BRAVAIS Triclinic P