FILEID collect      Tue Sep 28 1  4.00        01/20/05 16:44:57 05src0055    
SITEID Southampton
TITLE  /diska/05src0055                         
CHEM   C12 H10 S6 
CELL     12.9258   14.1438   14.7767   89.9846   89.9946   89.9997   2701.465 
CELLSD    0.0012    0.0015    0.0008    0.0065    0.0069    0.0073     0.312 
ORT1     -3.8337500e-02  -5.8862400e-02  -1.6739400e-02 
ORT2      6.5362200e-02  -3.7344100e-02   5.7628000e-03 
ORT3     -1.5599400e-02  -1.1810000e-02   6.5317400e-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  CutBlock
DNSMET ? 
CCOLOR  Colourless
CSIZE  0.38 x 0.25 x 0.15
ADPAR      312.5000    288.0000      3.500000000512 
ADCOR        1.0685      1.0294      0.0000     -0.3302     -0.1970      0.0334 
BRAVAIS Orthorhombic          P