# EDMA input file from WinGX 1.80.04 title 2010sl0005a # keywords describing the file output inputfile superflip.xplor outputbase superflip export edma.ins centerofcharge yes composition C52 H32 N4 F12 numberofatoms composition plimit 1.5 sigma # keywords describing crystallographic data cell 6.2066 7.7799 21.3938 90.000 90.000 90.000 # Space group P 21 21 21 symmetry x1 x2 x3 1/2-x1 -x2 1/2+x3 -x1 1/2+x2 1/2-x3 1/2+x1 1/2-x2 -x3 endsymmetry centers 0.00000 0.00000 0.00000 endcenters