FILEID collect Tue Sep 28 1 4.00 03/17/07 09:34:47 2007src0399 SITEID Southampton TITLE /diska/2007src0399 CHEM CELL 14.6358 16.3497 12.3448 90.0000 107.4553 90.0000 2817.971 CELLSD 0.0002 0.0002 0.0001 0.0000 0.0008 0.0000 0.058 ORT1 6.8563521e-02 1.3184773e-02 8.8062053e-03 ORT2 -1.5654297e-02 5.9656514e-02 -5.0690628e-03 ORT3 1.3521538e-02 2.2102639e-03 8.4286536e-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 Needle DNSMET ? CCOLOR Colourless CSIZE 0.5 x 0.02 x 0.01 ADPAR 312.5000 288.0000 3.000000000512 ADCOR -0.3518 -1.2830 0.0000 -0.6169 0.0466 0.2137 BRAVAIS Monoclinic(b-unique) C