[ moleculetype ]
;   molname nrexcl
    SOL     2
    [ atoms ]
    ;   number  type    res nr  res     atom    chg nr  chg
        1       OT      1       SOL     OW      1       -0.834
        2       HT      1       SOL     HW1     1       0.417
        3       HT      1       SOL     HW2     1       0.417
    #ifndef FLEXIBLE
        [ settles ]
        ; i j funct length
            1       1       0.09572 0.15139
        [ exclusions ]
            1       2       3
            2       1       3
            3       1       2
    #else
        [ bonds ]
        ;   i       j       funct   length  k
            1       2       1       0.09572 376560.0    0.09572 376560.0
            1       3       1       0.09572 376560.0    0.09572 376560.0
        [ angles ]
        ;   i       j       k       funct   angle   k
            2       1       3       1       104.52  460.24  104.52  460.24
    #endif
