FILEID collect      Tue Sep 28 1  4.00        10/05/04 15:30:58 04sjc0831    
SITEID Southampton
TITLE  /home/diska/04sjc0831                    
CHEM   C14H20O5 
CELL      8.3249   16.4963   20.0608   89.8910   89.9813   89.9652   2754.960 
CELLSD    0.0030    0.0018    0.0063    0.0213    0.0195    0.0182     0.791 
ORT1      9.1757300e-02   2.4045600e-02   2.5308400e-02 
ORT2      4.4271400e-02   2.2939000e-02  -4.2363300e-02 
ORT3     -6.3637100e-02   5.0698800e-02   7.0508000e-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  Colourless
CSIZE  0.25 x 0.17 x 0.02
ADPAR      312.5000    288.0000      3.000000000512 
ADCOR       -1.3703     -0.1903      0.0000     -0.5877      0.1154     -0.2220 
BRAVAIS Orthorhombic          P