23.0  1.868 1 
 24.0  0.793 2
 39.0  2.650 1
 40.0  1.713 2
 35.5  2.470 -1
7
-1381.06 282.2  -203.7  3.0   0.1      3.5   0.12
-1426.87 -98.92 -2454.0 3.0   0.1      3.5   0.02
0        -70.79 1499.0  3.0   0.1      3.5   0.05
0        -93.13 1975.0  3.0   0.1      3.5   0.01
wc        wdip wquad1 wquad2 epsilonLJ r0lJ sigm