FILEID collect      Tue Sep 28 1  4.00        04/04/05 12:12:10 2005slh0403  
SITEID Southampton
TITLE  /diska/2005slh0403                       
CHEM   C28 H30 N2 O4 P2 S4 Cd1 
CELL     11.9856   17.7146   15.2383   89.9986  101.8079   90.0139   3166.953 
CELLSD    0.0009    0.0011    0.0005    0.0035    0.0043    0.0057     0.337 
ORT1      8.0907000e-02   1.6538100e-02   2.0595600e-02 
ORT2     -2.6815600e-02   4.9410100e-02   1.9774200e-02 
ORT3      5.4890000e-04  -2.1720700e-02   6.0659200e-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  Prism
DNSMET ? 
CCOLOR   Colourless
CSIZE  0.38 x 0.36 x 0.1
ADPAR      312.5000    288.0000      3.000000000512 
ADCOR        1.1063      1.0444      0.0000     -0.3550     -0.2224      0.0247 
BRAVAIS Monoclinic(b-unique)  P