FILEID collect      Tue Sep 28 1  4.00        04/03/05 12:57:06 2005sjc0007  
SITEID Southampton
TITLE  /home/diska/2005sjc0007                  
CHEM   C5H10Cl4N4P3 
CELL      8.8479   10.6442   13.4804   89.9850   89.9870   89.9769   1269.573 
CELLSD    0.0007    0.0009    0.0014    0.0080    0.0090    0.0070     0.162 
ORT1     -5.6674000e-03   5.3516000e-02  -6.0867400e-02 
ORT2      4.9747000e-03   7.7212000e-02   4.2115700e-02 
ORT3      1.1276900e-01  -7.5460000e-04  -4.9338000e-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  Rod
DNSMET ? 
CCOLOR   Colourless
CSIZE  0.45 x 0.12 x 0.1
ADPAR      312.5000    288.0000      3.000000000512 
ADCOR       -1.3379     -0.2233      0.0000     -0.5972      0.1314     -0.2232 
BRAVAIS Orthorhombic          P