[ moleculetype ] ; Name nrexcl DRG 3 [ atoms ] ; nr type resnr residu atom cgnr charge mass 1 CH3 1 DRG CAA 1 0.000 15.035 2 CH2 1 DRG CAC 1 0.000 14.027 3 CH2 1 DRG CAE 1 0.000 14.027 4 CH2 1 DRG CAF 1 0.000 14.027 5 CH2 1 DRG CAG 1 0.000 14.027 6 CH2 1 DRG CAI 2 0.250 14.027 7 OE 1 DRG OAM 2 -0.500 15.999 8 CH2 1 DRG CAK 2 0.250 14.027 9 CH2 1 DRG CAJ 3 0.250 14.027 10 OE 1 DRG OAL 3 -0.500 15.999 11 CH2 1 DRG CAH 3 0.250 14.027 12 CH2 1 DRG CAD 4 0.265 14.027 13 OA 1 DRG OAB 4 -0.700 15.999 14 HA 1 DRG HAA 4 0.435 1.008 [ bonds ] ; ai aj funct 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 7 1 7 8 1 8 9 1 9 10 1 10 11 1 11 12 1 12 13 1 13 14 1 [ angles ] ; ai aj ak funct 1 2 3 1 2 3 4 1 3 4 5 1 4 5 6 1 5 6 7 1 6 7 8 1 7 8 9 1 8 9 10 1 9 10 11 1 10 11 12 1 11 12 13 1 12 13 14 1 [ pairs ] ; ai aj funct 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 ; 10 14 2 0 0 0 0 3.325789e-7 [ dihedrals ] ; ai aj ak al funct 4 3 2 1 3 2 3 4 5 3 3 4 5 6 3 4 5 6 7 3 5 6 7 8 3 6 7 8 9 3 7 8 9 10 3 8 9 10 11 3 9 10 11 12 3 10 11 12 13 3 11 12 13 14 3