FILEID collect      Tue Sep 28 1  4.00        04/04/05 13:07:31 2005slh0404  
SITEID Southampton
TITLE  /diska/2005slh0404                       
CHEM   C28 H32 N2 O4 P2 S4 Cd1  
CELL     12.1056   17.5149   15.3373   89.9930   99.0408   90.0100   3211.549 
CELLSD    0.0006    0.0011    0.0012    0.0065    0.0062    0.0046     0.335 
ORT1      8.7649000e-03  -2.9567600e-02   5.6446700e-02 
ORT2     -3.7722900e-02   4.2024900e-02   2.8222100e-02 
ORT3     -7.4139900e-02  -2.4888200e-02  -1.9390800e-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  0.28 x 0.24 x 0.08
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