FILEID collect Tue Sep 28 1 4.00 08/15/05 13:02:13 2005slh0413 SITEID Southampton TITLE /diska/2005slh0413 CHEM C29H34N2O4P2S4Cd1 CELL 10.7073 16.3214 19.5513 90.0000 91.7986 90.0000 3415.065 CELLSD 0.0004 0.0004 0.0006 0.0000 0.0016 0.0000 0.185 ORT1 -5.8567371e-02 -2.9790330e-02 3.0190596e-02 ORT2 -4.7476415e-02 -2.0738029e-02 -4.1357237e-02 ORT3 5.5256137e-02 -4.9393776e-02 -8.4464361e-04 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 Colourless CSIZE 0.2 x 0.2 x 0.07 ADPAR 312.5000 288.0000 3.000000000512 ADCOR 0.9536 1.0190 0.0000 -0.3248 -0.2343 -0.0214 BRAVAIS Monoclinic(b-unique) P