FILEID collect      Fri Jul 18 1  4.00        07/09/04 08:24:53 04src0544    
SITEID Southampton
TITLE  /diska/04src0544                         
CHEM   C29 H25 N1 O5 S1 
CELL     13.7156   12.3387   13.7943   89.9948   90.2034   90.0151   2334.433 
CELLSD    0.0008    0.0007    0.0009    0.0057    0.0043    0.0048     0.219 
ORT1      4.7337700e-02   3.8955800e-02   4.2903600e-02 
ORT2      2.6506400e-02  -7.1064700e-02   2.2887000e-02 
ORT3      4.8707600e-02   8.4470000e-04  -5.3766600e-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  Yellow
CSIZE  0.16 x 0.14 x 0.04
ADPAR      312.5000    288.0000      3.500000000512 
ADCOR        1.0748      1.0610      0.0000     -0.3336     -0.2434      0.0300 
BRAVAIS Monoclinic(b-unique)  P