FILEID collect      Thu Sep  9 1  4.00        09/30/04 16:55:13 04src0772    
SITEID Southampton
TITLE  /diska/04src0772                         
CHEM   C21H26NO2Cl3Zr 
CELL      8.7496   13.8365   14.3072   72.5297   75.0446   75.2836   1566.647 
CELLSD    0.0011    0.0019    0.0017    0.0100    0.0100    0.0100     0.283 
ORT1      4.0230900e-02   2.8940500e-02   4.3251600e-02 
ORT2     -1.1026460e-01   4.1260100e-02   1.7358200e-02 
ORT3     -2.7404900e-02  -5.8476600e-02   5.8430500e-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  Rod
DNSMET ? 
CCOLOR  Yellow
CSIZE  0.18 x 0.04 x 0.04
ADPAR      312.5000    288.0000      3.000000000512 
ADCOR       -1.4069     -0.1998      0.0000     -0.5840      0.1178     -0.1721 
BRAVAIS Triclinic             P  
FACE     -3.00 -1.00 -1.00     0.047 
FACE     14.00  4.00  5.00     0.030 
FACE     -1.00 -4.00  8.00     0.102 
FACE      0.00  1.00 -3.00     0.104 
FACE      0.00 -1.00 -1.00     0.025 
FACE     -1.00 18.00 19.00     0.042