FILEID collect Tue Sep 28 1 4.00 09/29/05 12:58:50 2005slh1128 SITEID Southampton TITLE /diska/2005slh1128 CHEM C28H32N2O4P2S4Cd1 CELL 9.8839 11.8446 14.5109 104.0090 95.5232 98.0788 1616.844 CELLSD 0.0002 0.0003 0.0003 0.0011 0.0014 0.0012 0.063 ORT1 2.9845166e-02 8.5793856e-02 3.2854388e-02 ORT2 4.0940401e-02 1.2524605e-02 -5.7955607e-02 ORT3 -9.0021868e-02 1.6857482e-02 -2.6527031e-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 Block DNSMET ? CCOLOR Colourless CSIZE 0.3 x 0.2 x 0.2 ADPAR 312.5000 288.0000 3.000000000512 ADCOR -0.2064 0.2055 0.0000 -0.4054 -0.2750 -0.5448 BRAVAIS Triclinic P