# the following data is provided: # h, gox, goy, goz # xm, ym, zm # phi(1:xmymzm) in kcal/mol-e # mapping between (i,j,k) and phi index: # i + xm * ( j-1 + ym * ( k-1 ) ) # grid coordinates: xg = gox + h*i; # yg = goy + h*j; zg = goz + h*k 1.00000000E+00 -1.40000000E+01 -1.20000000E+01 -1.20000000E+01 27 25 23 -2.09989374E-001 -2.17481207E-001 -2.25005821E-001 -2.32567573E-001 -2.40158816E-001 -2.47751095E-001 -2.55211532E-001 -2.62637368E-001 -2.70011067E-001 -2.77270070E-001 -2.84307570E-001 -2.90929702E-001 -2.96684157E-001 -3.00200983E-001 -2.96469597E-001 -2.90494247E-001 -2.83654014E-001 -2.76411141E-001 -2.68960534E-001 -2.61410141E-001 -2.53822876E-001 -2.46237075E-001 -2.38665554E-001 -2.31141046E-001 -2.23669341E-001 -2.16248424E-001 -2.08870151E-001 -2.15681715E-001 -2.23827680E-001 -2.32053622E-001 -2.40368144E-001 -2.48760310E-001 -2.57208817E-001 -2.65663001E-001 -2.74099395E-001 -2.82447205E-001 -2.90585335E-001 -2.98325640E-001 -3.05366186E-001 -3.11128955E-001 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