FILEID collect      Tue Sep 28 1  4.00        11/30/05 14:02:05 2005src1567  
SITEID Southampton
TITLE  /home/diska/2005src1567                  
CHEM   C21 H34 O1 
CELL     16.8137   16.8137   13.9960   90.0000   90.0000   90.0000   3956.676 
CELLSD    0.0005    0.0005    0.0005    0.0000    0.0000    0.0000     0.218 
ORT1      3.4924585e-02   4.7539501e-02   9.7420715e-03 
ORT2     -4.7219308e-02   3.1672778e-02   2.1241054e-02 
ORT3      9.8037640e-03  -1.6802807e-02   6.7601603e-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  Shard
DNSMET ? 
CCOLOR   Colourless
CSIZE  0.32 x 0.16 x 0.09
ADPAR      312.5000    288.0000      4.000000000512 
ADCOR       -1.3805     -0.2000      0.0000     -0.5716      0.1317     -0.2054 
BRAVAIS Tetragonal            I