[ moleculetype ] ; name nrexcl ethane 1 [ atoms ] ; nr type resnr residu atom cgnr charge 1 CH3 1 ETH ET1 1 0.000 2 CH3 1 ETH ET2 2 0.000 [ bonds ] ; ai aj funct 1 2 5 [ constraints ] ; i j type lenght 1 2 1 0.2345