FILEID collect Tue Sep 28 1 4.00 07/27/05 08:33:37 2005slh0408 SITEID Southampton TITLE /home/diska/2005slh0408 CHEM C18H24O4P2S4Hg1 CELL 10.5379 14.7379 15.2671 90.0000 95.0039 90.0000 2362.043 CELLSD 0.0003 0.0002 0.0003 0.0000 0.0009 0.0000 0.088 ORT1 -4.3980868e-03 -1.1927667e-02 -6.4676867e-02 ORT2 8.7348978e-02 2.6018550e-02 -2.0605116e-03 ORT3 3.7801464e-02 -6.1509612e-02 1.1670255e-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 0.25 x 0.15 x 0.09 ADPAR 312.5000 288.0000 3.080000000512 ADCOR -1.3821 -0.1972 0.0000 -0.5819 0.1322 -0.2399 BRAVAIS Monoclinic(b-unique) P