PRES DGLA         -0.07     ! patch for connecting ASP to C1 of BGLC
dele atom 2O1               !
dele atom 2HO1              !

GROUP
                            !       |                             |         C1(Sugar)
ATOM 2C1   CC3162    0.29   !    HN-N                          HN-N         |
                            !       |   HB1   OD1                 |   HB1   OD1
GROUP                       !       |   |    //                   |   |    /
                            !    HA-CA--CB--CG                 HA-CA--CB--CG
ATOM 1CB   CT2      -0.11   !       |   |    \                    |   |    \\
ATOM 1CG   CD        0.63   !       |   HB2   OD2(-)              |   HB2   OD2
ATOM 1OD1  OC301    -0.36   !     O=C                           O=C
ATOM 1OD2  OB       -0.52   !       |                             |
                            !
                            ! Charges:  C1,OD1          from OMEA
                            !           CG,OD2          from CT1
BOND 2C1  1OD1              !           CB              assigned by adding

! est. from PDB ID 1IEW
IC   1CG  1OD1 2C1  2H1     1.3800  134.00  105.00  105.00   1.0900

BONDS
! analogy w/ par22 protein (OC301 = OS)
OC301    CD     150.000     1.3340 ! ALLOW POL PEP
                 ! adm jr. 5/02/91, acetic acid pure solvent

ANGLES
! analogy w/ par22 protein (OC301 = OS, CC3162 = CT2/CT3)
CC3162   OC301    CD      40.000   109.60   30.00   2.26510 ! ALLOW  POL PEP
                       ! adm jr. 5/02/91, acetic acid pure solvent
OC301    CD       CT2     55.000   109.00   20.00   2.32600 ! ALLOW POL PEP
                       ! adm jr., 4/05/91, for PRES CT1 from methylacetate
OC301    CD       OB      90.000   125.90  160.00   2.25760 ! ALLOW  PEP POL
                       ! adm jr. 3/19/92, from lipid methyl acetate

DIHEDRALS
! analogy w/ par36 carb (OC301 = OS, CD = CC3161)
CC3161  CC3162  OC301   CD       0.41  1  180.0 ! og THP-1-O-2-CYHX
CC3161  CC3162  OC301   CD       0.66  2  180.0 ! "  MCSA fit
CC3161  CC3162  OC301   CD       1.60  3    0.0 ! "  MP2/cc-pVTZ//MP2/6-31G*
CD      OC301   CC3162  OC3C61   0.05  1  180.0 ! og THP-1-O-2-CYHX
CD      OC301   CC3162  OC3C61   0.91  2    0.0 ! "  MCSA fit
CD      OC301   CC3162  OC3C61   1.27  3  180.0 ! "  MP2/cc-pVTZ//MP2/6-31G*
CD      OC301   CC3162  HCA1     0.284 3    0.0 ! par35 HCA2 CC32A OC30A CC32A
X       CD      OC301   X        2.050 2  180.0 ! ALLOW   PEP POL
                ! adm jr. 3/19/92, from lipid methyl acetate

IMPROPER
! analogy w/ par22 protein (OC301 = OC, CD = CC)
OC301   X    X    CD     96.0000         0      0.0000 ! ALLOW   PEP POL ARO ION