FILEID collect      Tue Sep 28 1  4.00        01/19/06 08:15:12 2005src1621  
SITEID Southampton
TITLE  /home/diska/2005src1621                  
CHEM   C60 H70 N2 O4 Ti1 
CELL     13.7337   16.2802   42.8540   96.2267   91.6594  107.0153   9089.556 
CELLSD    0.0004    0.0005    0.0014    0.0013    0.0012    0.0008     0.489 
ORT1     -6.5548265e-02  -1.0745115e-02  -1.2905403e-02 
ORT2      1.9431727e-02   6.2283480e-02  -3.3425222e-03 
ORT3      3.3911381e-02  -1.2843583e-02  -1.9465243e-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  Lath
DNSMET ? 
CCOLOR   Yellow
CSIZE  0.36 x 0.06 x 0.02
ADPAR      312.5000    288.0000      6.500000000512 
ADCOR       -1.3185     -0.1977      0.0000     -0.6124      0.1278     -0.2101 
BRAVAIS Triclinic             P  
FACE      0.00  0.00 -1.00     0.130 
FACE      0.00  0.00  1.00     0.250 
FACE      1.00 -1.00  1.00     0.029 
FACE     -1.00  1.00 -1.00     0.015 
FACE      1.00 10.00 -4.00     0.023 
FACE     -1.00 -8.00  4.00     0.039