[ None ] [ COO- ] [ replace ] C C CC 12.011 0.34 O OT1 OC 15.9994 -0.67 OXT OT2 OC 15.9994 -0.67 [ add ] 2 8 OT C CA N OC 15.9994 -0.67 -1 [ impropers ] C CA OT2 OT1 ; Created by Cuendet and Bjelkmar. [ COOH ] [ replace ] C C CD 12.011 0.72 O OT1 OB 15.9994 -0.55 OXT OT2 OH 15.9994 -0.61 [ add ] 2 8 OT C CA N OB 15.9994 -0.55 -1 1 2 HT2 OT2 C CA H 1.008 0.44 -1 [ replace ] OT2 OT2 OH1 15.9994 -0.61 [ impropers ] C CA OT2 OT1 ; Created by Michel Cuendet. [ CT2 ] [ replace ] C CC 12.011 0.55 O O 15.9994 -0.55 [ add ] 1 2 NT C CA N NH2 14.0027 -0.62 -1 2 3 HT NT C CA H 1.008 0.00 -1 [ replace ] HT1 H 1.008 0.30 ; this one is trans to O HT2 H 1.008 0.32 ; this one is cis to O [ impropers ] C NT CA O C CA NT O NT C HT1 HT2 NT C HT2 HT1 ; added by Justin Lemkul [ 3TER ] [ replace ] O3' ON5 15.9994 -0.66 C3' CN7 12.011 0.14 [ add ] 1 2 H3T O3' C3' C4' HN5 1.008 0.43 -1