FILEID collect      Tue Sep 28 1  4.00        04/02/05 12:50:08 2005slh0246  
SITEID Southampton
TITLE  /diska/2005slh0246                       
CHEM   C13 H12 N6 I1 Br1 
CELL     10.9213   11.8985   14.8920   89.9871   89.9892   89.9923   1935.182 
CELLSD    0.0008    0.0007    0.0011    0.0050    0.0070    0.0060     0.199 
ORT1     -8.2885900e-02  -1.5909900e-02   2.5556600e-02 
ORT2      2.8333200e-02   2.6860900e-02   6.0130000e-02 
ORT3     -2.6666400e-02   7.8030600e-02  -1.5504400e-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   Orange
CSIZE  0.6 x 0.46 x 0.25
ADPAR      312.5000    288.0000      3.000000000512 
ADCOR        1.1063      1.0444      0.0000     -0.3550     -0.2224      0.0247 
BRAVAIS Orthorhombic          P