ANGLES
C    CT2   CT1  0.0  108.00   !52   C CT2 CT2   -- needed for keto
CT1  C     CT2  0.0  118.41  ! 80 bad gues      -- needed for keto
OH1  CT1  CT2    75.700   110.1000 ! OH1 CT1 CT1 and OH1 CT1 CT3 
!for model compound MOD1
!CT3  NH1  CT1 52.0  108.00
C    CT2  CT3 0.0  113.18 !52 parameterization ?????
DIHEDRALS
! DIHEDRALS for build
!CT1 C  CT2  CT1   0.0 1 0.0
!O C  CT2  CT1   0.0 1 0.0

!for the keto derivate
!surface 2 
NH1 CT1 C   CT2    0.0 1 0.0 !2.50  1  0.00
HB  CT1 C   CT2    0.0 1 0.0 !1.20  1  0.00
CT3  CT1  C    CT2 0.0 1 0.0 !2.50  1  0.0

! surface 1 
CT1  C  CT2    HA   2.4 1 180.0   !CT1 C   CT2 HA      1.20  2  90.00
CT1  C    CT2  CT1  2.4 1 0.0 !2.4  1 0.00 
O    C    CT2  CT1  1.2 1 0.0 !1.2  1  0.00 !   ALLOW PEP