[ bondedtypes ]
; bonds  angles  dihedrals  impropers
    2       2          1          2

[ ACE ]
 [ atoms ]
    CA   CH3   0.000     0
     C     C   0.450     1
     O     O  -0.450     1
 [ bonds ]
     C    CA   gb_27
     C     O   gb_5
     C    +N   gb_19
 [ angles ]
   CA     C     O    ga_30   
   CA     C    +N    ga_19
    O     C    +N    ga_33
 [ impropers ]
    C    CA    +N     O    gi_1 

[ NH2 ]
 [ atoms ]
     N    NT   -0.83    0
     H1    H   0.415    0
     H2    H   0.415    0
 [ bonds ]
      N    H1  gb_2
      N    H2  gb_2   
     -C    N   gb_9
 [ angles ]
     -O -C N  ga_33
     -CA -C N ga_19
     -C N H1  ga_23
     -C N H2  ga_23
     H1 N H2  ga_24
 [ dihedrals ]
    -CA -C N H1 gd_14
 [ impropers ]
    -C -O N -CA gi_1
     N H1 H2 -C gi_1

[ ALA ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH3     0.00000     1
    C     C       0.450     2
    O     O      -0.450     2
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA     C    +N     gd_40   

[ ARG ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG   CH2     0.00000     1
   CD   CH2     0.09000     2
   NE    NE    -0.11000     2
   HE     H     0.24000     2
   CZ     C     0.34000     2
  NH1    NZ    -0.26000     2
 HH11     H     0.24000     2
 HH12     H     0.24000     2
  NH2    NZ    -0.26000     2
 HH21     H     0.24000     2
 HH22     H     0.24000     2
    C     C       0.450     3
    O     O      -0.450     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB    CG    gb_27   
   CG    CD    gb_27   
   CD    NE    gb_21   
   NE    HE    gb_2    
   NE    CZ    gb_11   
   CZ   NH1    gb_11   
   CZ   NH2    gb_11   
  NH1  HH11    gb_2    
  NH1  HH12    gb_2    
  NH2  HH21    gb_2    
  NH2  HH22    gb_2    
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB    CG     ga_15   
   CB    CG    CD     ga_15   
   CG    CD    NE     ga_13   
   CD    NE    HE     ga_20   
   CD    NE    CZ     ga_33   
   HE    NE    CZ     ga_23   
   NE    CZ   NH1     ga_28   
   NE    CZ   NH2     ga_28   
  NH1    CZ   NH2     ga_28   
   CZ   NH1  HH11     ga_23   
   CZ   NH1  HH12     ga_23   
 HH11   NH1  HH12     ga_24   
   CZ   NH2  HH21     ga_23   
   CZ   NH2  HH22     ga_23   
 HH21   NH2  HH22     ga_24   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
   NE    CD    CZ    HE     gi_1    
   CZ   NH1   NH2    NE     gi_1    
  NH1  HH11  HH12    CZ     gi_1    
  NH2  HH21  HH22    CZ     gi_1    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB    CG     gd_34   
    N    CA     C    +N     gd_40   
   CA    CB    CG    CD     gd_34   
   CB    CG    CD    NE     gd_34   
   CG    CD    NE    CZ     gd_39   
   CD    NE    CZ   NH1     gd_14   
   NE    CZ   NH1  HH11     gd_14   
   NE    CZ   NH2  HH21     gd_14   

[ ARGN ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG   CH2     0.00000     2
   CD   CH2     0.00000     2
   NE    NE    -0.31000     3
   HE     H     0.31000     3
   CZ     C     0.26600     4
  NH1    NE    -0.67400     4
  HH1     H     0.40800     4
  NH2    NZ    -0.88000     5
 HH21     H     0.44000     5
 HH22     H     0.44000     5
    C     C       0.450     6
    O     O      -0.450     6
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB    CG    gb_27   
   CG    CD    gb_27   
   CD    NE    gb_21   
   NE    HE    gb_2    
   NE    CZ    gb_11   
   CZ   NH1    gb_11   
   CZ   NH2    gb_11   
  NH1   HH1    gb_2    
  NH2  HH21    gb_2    
  NH2  HH22    gb_2    
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB    CG     ga_15   
   CB    CG    CD     ga_15   
   CG    CD    NE     ga_13   
   CD    NE    HE     ga_20   
   CD    NE    CZ     ga_33   
   HE    NE    CZ     ga_23   
   NE    CZ   NH1     ga_28   
   NE    CZ   NH2     ga_28   
  NH1    CZ   NH2     ga_28   
   CZ   NH1   HH1     ga_23   
   CZ   NH2  HH21     ga_23   
   CZ   NH2  HH22     ga_23   
 HH21   NH2  HH22     ga_24   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
   NE    CD    CZ    HE     gi_1    
   CZ   NH1   NH2    NE     gi_1    
  NH2  HH21  HH22    CZ     gi_1    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB    CG     gd_34   
    N    CA     C    +N     gd_40   
   CA    CB    CG    CD     gd_34   
   CB    CG    CD    NE     gd_34   
   CG    CD    NE    CZ     gd_39   
   CD    NE    CZ   NH1     gd_14   
   NE    CZ   NH1   HH1     gd_14   
   NE    CZ   NH2  HH21     gd_14   

[ ASN ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG     C     0.29000     2
  OD1     O    -0.45000     2
  ND2    NT    -0.72000     2
 HD21     H     0.44000     2
 HD22     H     0.44000     2
    C     C       0.450     3
    O     O      -0.450     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB    CG    gb_27   
   CG   OD1    gb_5    
   CG   ND2    gb_9    
  ND2  HD21    gb_2    
  ND2  HD22    gb_2    
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB    CG     ga_15   
   CB    CG   OD1     ga_30   
   CB    CG   ND2     ga_19   
  OD1    CG   ND2     ga_33   
   CG   ND2  HD21     ga_23   
   CG   ND2  HD22     ga_23   
 HD21   ND2  HD22     ga_24   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
   CG   OD1   ND2    CB     gi_1    
  ND2  HD21  HD22    CG     gi_1    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB    CG     gd_34   
    N    CA     C    +N     gd_40   
   CA    CB    CG   ND2     gd_40   
   CB    CG   ND2  HD21     gd_14   

[ ASN1 ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG     C     0.29000     2
  OD1     O    -0.45000     2
  ND2    NL    -0.72000     2
 HD21     H     0.44000     2
 HD22     H     0.44000     2
    C     C       0.450     3
    O     O      -0.450     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB    CG    gb_27   
   CG   OD1    gb_5    
   CG   ND2    gb_9    
  ND2  HD21    gb_2    
  ND2  HD22    gb_2    
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB    CG     ga_15   
   CB    CG   OD1     ga_30   
   CB    CG   ND2     ga_19   
  OD1    CG   ND2     ga_33   
   CG   ND2  HD21     ga_23   
   CG   ND2  HD22     ga_23   
 HD21   ND2  HD22     ga_24   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
   CG   OD1   ND2    CB     gi_1    
  ND2  HD21  HD22    CG     gi_1    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB    CG     gd_34   
    N    CA     C    +N     gd_40   
   CA    CB    CG   ND2     gd_40   
   CB    CG   ND2  HD21     gd_14   

[ ASP ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG     C     0.27000     2
  OD1    OM    -0.63500     2
  OD2    OM    -0.63500     2
    C     C       0.450     3
    O     O      -0.450     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB    CG    gb_27   
   CG   OD1    gb_6    
   CG   OD2    gb_6    
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB    CG     ga_15   
   CB    CG   OD1     ga_22   
   CB    CG   OD2     ga_22   
  OD1    CG   OD2     ga_38   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
   CG   OD1   OD2    CB     gi_1    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB    CG     gd_34   
    N    CA     C    +N     gd_40   
   CA    CB    CG   OD1     gd_40   

[ ASPH ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG     C     0.33000     2
  OD1     O    -0.45000     2
  OD2    OA    -0.28800     2
  HD2     H     0.40800     2
    C     C       0.450     3
    O     O      -0.450     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB    CG    gb_27   
   CG   OD1    gb_5    
   CG   OD2    gb_13   
  OD2   HD2    gb_1    
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB    CG     ga_15   
   CB    CG   OD1     ga_30   
   CB    CG   OD2     ga_19   
  OD1    CG   OD2     ga_33   
   CG   OD2   HD2     ga_12   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
   CG   OD1   OD2    CB     gi_1    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB    CG     gd_34   
    N    CA     C    +N     gd_40   
   CA    CB    CG   OD2     gd_40   
   CB    CG   OD2   HD2     gd_12   

[ CYS ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH2    -0.10000     2
   SG     S    -0.40000     2
    C     C       0.450     3
    O     O      -0.450     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB    SG    gb_32   
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB    SG     ga_16   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB    SG     gd_34   
    N    CA     C    +N     gd_40   

[ CYSH ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH2     0.15000     2
   SG     S    -0.37000     2
   HG     H     0.22000     2
    C     C       0.450     3
    O     O      -0.450     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB    SG    gb_32   
   SG    HG    gb_8    
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB    SG     ga_16   
   CB    SG    HG     ga_3    
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB    SG     gd_34   
    N    CA     C    +N     gd_40   
   CA    CB    SG    HG     gd_26   

[ CYS1 ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   SG     S     0.00000     1
    C     C       0.450     2
    O     O      -0.450     2
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB    SG    gb_32   
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB    SG     ga_16   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB    SG     gd_34   
    N    CA     C    +N     gd_40   

[ CYS2 ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   SG     S     0.00000     1
    C     C       0.450     2
    O     O      -0.450     2
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB    SG    gb_32   
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB    SG     ga_16   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB    SG     gd_34   
    N    CA     C    +N     gd_40   

[ GLN ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG   CH2     0.00000     1
   CD     C     0.29000     2
  OE1     O    -0.45000     2
  NE2    NT    -0.72000     2
 HE21     H     0.44000     2
 HE22     H     0.44000     2
    C     C       0.450     3
    O     O      -0.450     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB    CG    gb_27   
   CG    CD    gb_27   
   CD   OE1    gb_5    
   CD   NE2    gb_9    
  NE2  HE21    gb_2    
  NE2  HE22    gb_2    
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB    CG     ga_15   
   CB    CG    CD     ga_15   
   CG    CD   OE1     ga_30   
   CG    CD   NE2     ga_19   
  OE1    CD   NE2     ga_33   
   CD   NE2  HE21     ga_23   
   CD   NE2  HE22     ga_23   
 HE21   NE2  HE22     ga_24   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
   CD   OE1   NE2    CG     gi_1    
  NE2  HE21  HE22    CD     gi_1    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB    CG     gd_34   
    N    CA     C    +N     gd_40   
   CA    CB    CG    CD     gd_34   
   CB    CG    CD   NE2     gd_40   
   CG    CD   NE2  HE21     gd_14   

[ GLU ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG   CH2     0.00000     1
   CD     C     0.27000     2
  OE1    OM    -0.63500     2
  OE2    OM    -0.63500     2
    C     C       0.450     3
    O     O      -0.450     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB    CG    gb_27   
   CG    CD    gb_27   
   CD   OE1    gb_6    
   CD   OE2    gb_6    
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB    CG     ga_15   
   CB    CG    CD     ga_15   
   CG    CD   OE1     ga_22   
   CG    CD   OE2     ga_22   
  OE1    CD   OE2     ga_38   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
   CD   OE1   OE2    CG     gi_1    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB    CG     gd_34   
    N    CA     C    +N     gd_40   
   CA    CB    CG    CD     gd_34   
   CB    CG    CD   OE2     gd_40   

[ GLUH ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG   CH2     0.00000     1
   CD     C     0.33000     2
  OE1     O    -0.45000     2
  OE2    OA    -0.28800     2
  HE2     H     0.40800     2
    C     C       0.450     3
    O     O      -0.450     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB    CG    gb_27   
   CG    CD    gb_27   
   CD   OE1    gb_5    
   CD   OE2    gb_13   
  OE2   HE2    gb_1    
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB    CG     ga_15   
   CB    CG    CD     ga_15   
   CG    CD   OE1     ga_30   
   CG    CD   OE2     ga_19   
  OE1    CD   OE2     ga_33   
   CD   OE2   HE2     ga_12   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
   CD   OE1   OE2    CG     gi_1    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB    CG     gd_34   
    N    CA     C    +N     gd_40   
   CA    CB    CG    CD     gd_34   
   CB    CG    CD   OE2     gd_40   
   CG    CD   OE2   HE2     gd_12   

[ GLY ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH2     0.00000     1
    C     C       0.450     2
    O     O      -0.450     2
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA     C    gb_27   
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA     C     ga_13   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA     C    +N     gd_40   

[ HISA ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG     C     0.00000     2
  ND1    NR    -0.05000     2
  HD1     H     0.31000     2
  CD2     C     0.00000     2
  HD2    HC     0.14000     2
  CE1     C     0.00000     2
  HE1    HC     0.14000     2
  NE2    NR    -0.54000     2
    C     C       0.450     3
    O     O      -0.450     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB    CG    gb_27   
   CG   ND1    gb_10   
   CG   CD2    gb_10   
  ND1   HD1    gb_2    
  ND1   CE1    gb_10   
  CD2   HD2    gb_3    
  CD2   NE2    gb_10   
  CE1   HE1    gb_3    
  CE1   NE2    gb_10   
    C     O    gb_5    
    C    +N    gb_10   
 [ exclusions ]
;  ai    aj
   CB   HD1
   CB   HD2
   CB   CE1
   CB   NE2
   CG   HE1
  ND1   HD2
  HD1   CD2
  HD1   HE1
  HD1   NE2
  CD2   HE1
  HD2   CE1
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB    CG     ga_15   
   CB    CG   ND1     ga_37   
   CB    CG   CD2     ga_37   
  ND1    CG   CD2     ga_7    
   CG   ND1   HD1     ga_36   
   CG   ND1   CE1     ga_7    
  HD1   ND1   CE1     ga_36   
   CG   CD2   HD2     ga_36   
   CG   CD2   NE2     ga_7    
  HD2   CD2   NE2     ga_36   
  ND1   CE1   HE1     ga_36   
  ND1   CE1   NE2     ga_7    
  HE1   CE1   NE2     ga_36   
  CD2   NE2   CE1     ga_7    
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
   CG   ND1   CD2    CB     gi_1    
   CG   ND1   CE1   NE2     gi_1    
   CG   CD2   NE2   CE1     gi_1    
  ND1    CG   CD2   NE2     gi_1    
  ND1    CG   CE1   HD1     gi_1    
  ND1   CE1   NE2   CD2     gi_1    
  CD2    CG   ND1   CE1     gi_1    
  CD2    CG   NE2   HD2     gi_1    
  CE1   ND1   NE2   HE1     gi_1    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB    CG     gd_34   
    N    CA     C    +N     gd_40   
   CA    CB    CG   ND1     gd_40   

[ HISB ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG     C     0.00000     2
  ND1    NR    -0.54000     2
  CD2     C     0.00000     2
  HD2    HC     0.14000     2
  CE1     C     0.00000     2
  HE1    HC     0.14000     2
  NE2    NR    -0.05000     2
  HE2     H     0.31000     2
    C     C       0.450     3
    O     O      -0.450     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB    CG    gb_27   
   CG   ND1    gb_10   
   CG   CD2    gb_10   
  ND1   CE1    gb_10   
  CD2   HD2    gb_3    
  CD2   NE2    gb_10   
  CE1   HE1    gb_3    
  CE1   NE2    gb_10   
  NE2   HE2    gb_2    
    C     O    gb_5    
    C    +N    gb_10   
 [ exclusions ]
;  ai    aj
   CB   HD2
   CB   CE1
   CB   NE2
   CG   HE1
   CG   HE2
  ND1   HD2
  ND1   HE2
  CD2   HE1
  HD2   CE1
  HD2   HE2
  HE1   HE2
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB    CG     ga_15   
   CB    CG   ND1     ga_37   
   CB    CG   CD2     ga_37   
  ND1    CG   CD2     ga_7    
   CG   ND1   CE1     ga_7    
   CG   CD2   HD2     ga_36   
   CG   CD2   NE2     ga_7    
  HD2   CD2   NE2     ga_36   
  ND1   CE1   HE1     ga_36   
  ND1   CE1   NE2     ga_7    
  HE1   CE1   NE2     ga_36   
  CD2   NE2   CE1     ga_7    
  CD2   NE2   HE2     ga_36   
  CE1   NE2   HE2     ga_36   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
   CG   ND1   CD2    CB     gi_1    
   CG   ND1   CE1   NE2     gi_1    
   CG   CD2   NE2   CE1     gi_1    
  ND1    CG   CD2   NE2     gi_1    
  ND1   CE1   NE2   CD2     gi_1    
  CD2    CG   ND1   CE1     gi_1    
  CD2    CG   NE2   HD2     gi_1    
  CE1   ND1   NE2   HE1     gi_1    
  NE2   CD2   CE1   HE2     gi_1    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB    CG     gd_34   
    N    CA     C    +N     gd_40   
   CA    CB    CG   ND1     gd_40   

[ HISH ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG     C    -0.05000     2
  ND1    NR     0.38000     2
  HD1     H     0.30000     2
  CD2     C    -0.10000     2
  HD2    HC     0.10000     2
  CE1     C    -0.34000     2
  HE1    HC     0.10000     2
  NE2    NR     0.31000     2
  HE2     H     0.30000     2
    C     C       0.450     3
    O     O      -0.450     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB    CG    gb_27   
   CG   ND1    gb_10   
   CG   CD2    gb_10   
  ND1   HD1    gb_2    
  ND1   CE1    gb_10   
  CD2   HD2    gb_3    
  CD2   NE2    gb_10   
  CE1   HE1    gb_3    
  CE1   NE2    gb_10   
  NE2   HE2    gb_2    
    C     O    gb_5    
    C    +N    gb_10   
 [ exclusions ]
;  ai    aj
   CB   HD1
   CB   HD2
   CB   CE1
   CB   NE2
   CG   HE1
   CG   HE2
  ND1   HD2
  ND1   HE2
  HD1   CD2
  HD1   HE1
  HD1   NE2
  CD2   HE1
  HD2   CE1
  HD2   HE2
  HE1   HE2
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB    CG     ga_15   
   CB    CG   ND1     ga_37   
   CB    CG   CD2     ga_37   
  ND1    CG   CD2     ga_7    
   CG   ND1   HD1     ga_36   
   CG   ND1   CE1     ga_7    
  HD1   ND1   CE1     ga_36   
   CG   CD2   HD2     ga_36   
   CG   CD2   NE2     ga_7    
  HD2   CD2   NE2     ga_36   
  ND1   CE1   HE1     ga_36   
  ND1   CE1   NE2     ga_7    
  HE1   CE1   NE2     ga_36   
  CD2   NE2   CE1     ga_7    
  CD2   NE2   HE2     ga_36   
  CE1   NE2   HE2     ga_36   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
   CG   ND1   CD2    CB     gi_1    
   CG   ND1   CE1   NE2     gi_1    
   CG   CD2   NE2   CE1     gi_1    
  ND1    CG   CD2   NE2     gi_1    
  ND1    CG   CE1   HD1     gi_1    
  ND1   CE1   NE2   CD2     gi_1    
  CD2    CG   ND1   CE1     gi_1    
  CD2    CG   NE2   HD2     gi_1    
  CE1   ND1   NE2   HE1     gi_1    
  NE2   CD2   CE1   HE2     gi_1    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB    CG     gd_34   
    N    CA     C    +N     gd_40   
   CA    CB    CG   ND1     gd_40   

[ HIS1 ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG     C     0.00000     2
  ND1    NR    -0.05000     2
  HD1     H     0.31000     2
  CD2     C     0.00000     2
  HD2    HC     0.14000     2
  CE1     C     0.00000     2
  HE1    HC     0.14000     2
  NE2    NR    -0.54000     2
    C     C       0.450     3
    O     O      -0.450     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB    CG    gb_27   
   CG   ND1    gb_10   
   CG   CD2    gb_10   
  ND1   HD1    gb_2    
  ND1   CE1    gb_10   
  CD2   HD2    gb_3    
  CD2   NE2    gb_10   
  CE1   HE1    gb_3    
  CE1   NE2    gb_10   
    C     O    gb_5    
    C    +N    gb_10   
 [ exclusions ]
;  ai    aj
   CB   HD1
   CB   HD2
   CB   CE1
   CB   NE2
   CG   HE1
  ND1   HD2
  HD1   CD2
  HD1   HE1
  HD1   NE2
  CD2   HE1
  HD2   CE1
 [ angles ]
;  ai    aj    ak   gromos type
  -CA    -C   NE2     ga_2    
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB    CG     ga_15   
   CB    CG   ND1     ga_37   
   CB    CG   CD2     ga_37   
  ND1    CG   CD2     ga_7    
   CG   ND1   HD1     ga_36   
   CG   ND1   CE1     ga_7    
  HD1   ND1   CE1     ga_36   
   CG   CD2   HD2     ga_36   
   CG   CD2   NE2     ga_7    
  HD2   CD2   NE2     ga_36   
  ND1   CE1   HE1     ga_36   
  ND1   CE1   NE2     ga_7    
  HE1   CE1   NE2     ga_36   
   -C   NE2   CD2     ga_34   
   -C   NE2   CE1     ga_34   
  CD2   NE2   CE1     ga_7    
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
   CG   ND1   CD2    CB     gi_1    
   CG   ND1   CE1   NE2     gi_1    
   CG   CD2   NE2   CE1     gi_1    
  ND1    CG   CD2   NE2     gi_1    
  ND1    CG   CE1   HD1     gi_1    
  ND1   CE1   NE2   CD2     gi_1    
  CD2    CG   ND1   CE1     gi_1    
  CD2    CG   NE2   HD2     gi_1    
  CE1   ND1   NE2   HE1     gi_1    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
  -CA    -C   NE2   CD2     gd_38   
   -C     N    CA     C     gd_39   
    N    CA    CB    CG     gd_34   
    N    CA     C    +N     gd_40   
   CA    CB    CG   ND1     gd_40   

[ HIS2 ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG     C     0.00000     2
  ND1    NR    -0.05000     2
  HD1     H     0.31000     2
  CD2     C     0.00000     2
  HD2    HC     0.14000     2
  CE1     C     0.00000     2
  HE1    HC     0.14000     2
  NE2    NR    -0.54000     2
    C     C       0.450     3
    O     O      -0.450     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB    CG    gb_27   
   CG   ND1    gb_10   
   CG   CD2    gb_10   
  ND1   HD1    gb_2    
  ND1   CE1    gb_10   
  CD2   HD2    gb_3    
  CD2   NE2    gb_10   
  CE1   HE1    gb_3    
  CE1   NE2    gb_10   
    C     O    gb_5    
    C    +N    gb_10   
 [ exclusions ]
;  ai    aj
   CB   HD1
   CB   HD2
   CB   CE1
   CB   NE2
   CG   HE1
  ND1   HD2
  HD1   CD2
  HD1   HE1
  HD1   NE2
  CD2   HE1
  HD2   CE1
 [ angles ]
;  ai    aj    ak   gromos type
  -CA    -C   NE2     ga_2    
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB    CG     ga_15   
   CB    CG   ND1     ga_37   
   CB    CG   CD2     ga_37   
  ND1    CG   CD2     ga_7    
   CG   ND1   HD1     ga_36   
   CG   ND1   CE1     ga_7    
  HD1   ND1   CE1     ga_36   
   CG   CD2   HD2     ga_36   
   CG   CD2   NE2     ga_7    
  HD2   CD2   NE2     ga_36   
  ND1   CE1   HE1     ga_36   
  ND1   CE1   NE2     ga_7    
  HE1   CE1   NE2     ga_36   
   -C   NE2   CD2     ga_34   
   -C   NE2   CE1     ga_34   
  CD2   NE2   CE1     ga_7    
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
   CG   ND1   CD2    CB     gi_1    
   CG   ND1   CE1   NE2     gi_1    
   CG   CD2   NE2   CE1     gi_1    
  ND1    CG   CD2   NE2     gi_1    
  ND1    CG   CE1   HD1     gi_1    
  ND1   CE1   NE2   CD2     gi_1    
  CD2    CG   ND1   CE1     gi_1    
  CD2    CG   NE2   HD2     gi_1    
  CE1   ND1   NE2   HE1     gi_1    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
  -CA    -C   NE2   CD2     gd_38   
   -C     N    CA     C     gd_39   
    N    CA    CB    CG     gd_34   
    N    CA     C    +N     gd_40   
   CA    CB    CG   ND1     gd_40   

[ HYP ]
 [ atoms ]
    N     N     0.00000     0
   CA   CH1     0.00000     1
   CB  CH2r     0.00000     1
   CG   CH1     0.26600     2
  OD1    OA    -0.67400     2
  HD1     H     0.40800     2
  CD2  CH2r     0.00000     3
    C     C       0.450     4
    O     O      -0.450     4
 [ bonds ]
    N    CA    gb_21   
    N   CD2    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB    CG    gb_27   
   CG   OD1    gb_18   
   CG   CD2    gb_27   
  OD1   HD1    gb_1    
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N    CA     ga_31   
   -C     N   CD2     ga_31   
   CA     N   CD2     ga_21   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB    CG     ga_13   
   CB    CG   OD1     ga_13   
   CB    CG   CD2     ga_13   
  OD1    CG   CD2     ga_13   
   CG   OD1   HD1     ga_12   
    N   CD2    CG     ga_13   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA   CD2     gi_1    
   CA     N     C    CB     gi_2    
  OD1    CB   CD2    CG     gi_2    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
   CA     N   CD2    CG     gd_39   
    N    CA    CB    CG     gd_34   
    N    CA     C    +N     gd_40   
   CA    CB    CG   CD2     gd_34   
   CB    CG   OD1   HD1     gd_23   
   CB    CG   CD2     N     gd_34   

[ ILE ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH1     0.00000     2
  CG1   CH2     0.00000     2
  CG2   CH3     0.00000     2
   CD   CH3     0.00000     2
    C     C       0.450     3
    O     O      -0.450     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB   CG1    gb_27   
   CB   CG2    gb_27   
  CG1    CD    gb_27   
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB   CG1     ga_15   
   CA    CB   CG2     ga_15   
  CG1    CB   CG2     ga_15   
   CB   CG1    CD     ga_15   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
   CB   CG1   CG2    CA     gi_2    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB   CG1     gd_34   
    N    CA     C    +N     gd_40   
   CA    CB   CG1    CD     gd_34   

[ LEU ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG   CH1     0.00000     2
  CD1   CH3     0.00000     2
  CD2   CH3     0.00000     2
    C     C       0.450     3
    O     O      -0.450     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB    CG    gb_27   
   CG   CD1    gb_27   
   CG   CD2    gb_27   
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB    CG     ga_15   
   CB    CG   CD1     ga_15   
   CB    CG   CD2     ga_15   
  CD1    CG   CD2     ga_15   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
   CB   CD1   CD2    CG     gi_2    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB    CG     gd_34   
    N    CA     C    +N     gd_40   
   CA    CB    CG   CD1     gd_34   

[ LYS ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG   CH2     0.00000     2
   CD   CH2     0.00000     2
   CE   CH2    -0.24000     3
   NZ    NT    -0.64000     3
  HZ1     H     0.44000     3
  HZ2     H     0.44000     3
    C     C       0.450     4
    O     O      -0.450     4
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB    CG    gb_27   
   CG    CD    gb_27   
   CD    CE    gb_27   
   CE    NZ    gb_21   
   NZ   HZ1    gb_2    
   NZ   HZ2    gb_2    
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB    CG     ga_15   
   CB    CG    CD     ga_15   
   CG    CD    CE     ga_15   
   CD    CE    NZ     ga_15   
   CE    NZ   HZ1     ga_11   
   CE    NZ   HZ2     ga_11   
  HZ1    NZ   HZ2     ga_10   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB    CG     gd_34   
    N    CA     C    +N     gd_40   
   CA    CB    CG    CD     gd_34   
   CB    CG    CD    CE     gd_34   
   CG    CD    CE    NZ     gd_34   
   CD    CE    NZ   HZ1     gd_29   

[ LYSH ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG   CH2     0.00000     2
   CD   CH2     0.00000     2
   CE   CH2     0.12700     3
   NZ    NL     0.12900     3
  HZ1     H     0.24800     3
  HZ2     H     0.24800     3
  HZ3     H     0.24800     3
    C     C       0.450     4
    O     O      -0.450     4
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB    CG    gb_27   
   CG    CD    gb_27   
   CD    CE    gb_27   
   CE    NZ    gb_21   
   NZ   HZ1    gb_2    
   NZ   HZ2    gb_2    
   NZ   HZ3    gb_2    
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB    CG     ga_15   
   CB    CG    CD     ga_15   
   CG    CD    CE     ga_15   
   CD    CE    NZ     ga_15   
   CE    NZ   HZ1     ga_11   
   CE    NZ   HZ2     ga_11   
   CE    NZ   HZ3     ga_11   
  HZ1    NZ   HZ2     ga_10   
  HZ1    NZ   HZ3     ga_10   
  HZ2    NZ   HZ3     ga_10   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB    CG     gd_34   
    N    CA     C    +N     gd_40   
   CA    CB    CG    CD     gd_34   
   CB    CG    CD    CE     gd_34   
   CG    CD    CE    NZ     gd_34   
   CD    CE    NZ   HZ1     gd_29   

[ MET ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG   CH2     0.24100     2
   SD     S    -0.48200     2
   CE   CH3     0.24100     2
    C     C       0.450     3
    O     O      -0.450     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB    CG    gb_27   
   CG    SD    gb_32   
   SD    CE    gb_31   
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB    CG     ga_15   
   CB    CG    SD     ga_16   
   CG    SD    CE     ga_4    
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB    CG     gd_34   
    N    CA     C    +N     gd_40   
   CA    CB    CG    SD     gd_34   
   CB    CG    SD    CE     gd_26   

[ PHE ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG     C     0.00000     1
  CD1     C    -0.14000     2
  HD1    HC     0.14000     2
  CD2     C    -0.14000     3
  HD2    HC     0.14000     3
  CE1     C    -0.14000     4
  HE1    HC     0.14000     4
  CE2     C    -0.14000     5
  HE2    HC     0.14000     5
   CZ     C    -0.14000     6
   HZ    HC     0.14000     6
    C     C       0.450     7
    O     O      -0.450     7
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB    CG    gb_27   
   CG   CD1    gb_16   
   CG   CD2    gb_16   
  CD1   HD1    gb_3    
  CD1   CE1    gb_16   
  CD2   HD2    gb_3    
  CD2   CE2    gb_16   
  CE1   HE1    gb_3    
  CE1    CZ    gb_16   
  CE2   HE2    gb_3    
  CE2    CZ    gb_16   
   CZ    HZ    gb_3    
    C     O    gb_5    
    C    +N    gb_10   
 [ exclusions ]
;  ai    aj
   CB   HD1
   CB   HD2
   CB   CE1
   CB   CE2
   CG   HE1
   CG   HE2
   CG    CZ
  CD1   HD2
  CD1   CE2
  CD1    HZ
  HD1   CD2
  HD1   HE1
  HD1    CZ
  CD2   CE1
  CD2    HZ
  HD2   HE2
  HD2    CZ
  CE1   HE2
  HE1   CE2
  HE1    HZ
  HE2    HZ
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB    CG     ga_15   
   CB    CG   CD1     ga_27   
   CB    CG   CD2     ga_27   
  CD1    CG   CD2     ga_27   
   CG   CD1   HD1     ga_25   
   CG   CD1   CE1     ga_27   
  HD1   CD1   CE1     ga_25   
   CG   CD2   HD2     ga_25   
   CG   CD2   CE2     ga_27   
  HD2   CD2   CE2     ga_25   
  CD1   CE1   HE1     ga_25   
  CD1   CE1    CZ     ga_27   
  HE1   CE1    CZ     ga_25   
  CD2   CE2   HE2     ga_25   
  CD2   CE2    CZ     ga_27   
  HE2   CE2    CZ     ga_25   
  CE1    CZ   CE2     ga_27   
  CE1    CZ    HZ     ga_25   
  CE2    CZ    HZ     ga_25   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
   CG   CD1   CD2    CB     gi_1    
   CG   CD1   CE1    CZ     gi_1    
   CG   CD2   CE2    CZ     gi_1    
  CD1    CG   CD2   CE2     gi_1    
  CD1    CG   CE1   HD1     gi_1    
  CD1   CE1    CZ   CE2     gi_1    
  CD2    CG   CD1   CE1     gi_1    
  CD2    CG   CE2   HD2     gi_1    
  CD2   CE2    CZ   CE1     gi_1    
  HE1   CD1    CZ   CE1     gi_1    
  HE2   CD2    CZ   CE2     gi_1    
   CZ   CE1   CE2    HZ     gi_1    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB    CG     gd_34   
    N    CA     C    +N     gd_40   
   CA    CB    CG   CD1     gd_40   

[ PRO ]
 [ atoms ]
    N     N     0.00000     0
   CA   CH1     0.00000     1
   CB  CH2r     0.00000     1
   CG  CH2r     0.00000     2
   CD  CH2r     0.00000     2
    C     C       0.450     3
    O     O      -0.450     3
 [ bonds ]
    N    CA    gb_21   
    N    CD    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB    CG    gb_27   
   CG    CD    gb_27   
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N    CA     ga_31   
   -C     N    CD     ga_31   
   CA     N    CD     ga_21   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB    CG     ga_13   
   CB    CG    CD     ga_13   
    N    CD    CG     ga_13   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA    CD     gi_1    
   CA     N     C    CB     gi_2    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
   CA     N    CD    CG     gd_39   
    N    CA    CB    CG     gd_34   
    N    CA     C    +N     gd_40   
   CA    CB    CG    CD     gd_34   
   CB    CG    CD     N     gd_34   

[ SER ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH2     0.26600     2
   OG    OA    -0.67400     2
   HG     H     0.40800     2
    C     C       0.450     3
    O     O      -0.450     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB    OG    gb_18   
   OG    HG    gb_1    
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB    OG     ga_13   
   CB    OG    HG     ga_12   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB    OG     gd_34   
    N    CA     C    +N     gd_40   
   CA    CB    OG    HG     gd_23   

[ THR ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH1     0.26600     2
  OG1    OA    -0.67400     2
  HG1     H     0.40800     2
  CG2   CH3     0.00000     3
    C     C       0.450     4
    O     O      -0.450     4
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB   OG1    gb_18   
   CB   CG2    gb_27   
  OG1   HG1    gb_1    
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB   OG1     ga_13   
   CA    CB   CG2     ga_15   
  OG1    CB   CG2     ga_15   
   CB   OG1   HG1     ga_12   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
   CB   OG1   CG2    CA     gi_2    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB   OG1     gd_34   
    N    CA     C    +N     gd_40   
   CA    CB   OG1   HG1     gd_23   

[ TRP ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG     C    -0.21000     2
  CD1     C    -0.14000     2
  HD1    HC     0.14000     2
  CD2     C     0.00000     2
  NE1    NR    -0.10000     2
  HE1     H     0.31000     2
  CE2     C     0.00000     2
  CE3     C    -0.14000     3
  HE3    HC     0.14000     3
  CZ2     C    -0.14000     4
  HZ2    HC     0.14000     4
  CZ3     C    -0.14000     5
  HZ3    HC     0.14000     5
  CH2     C    -0.14000     6
  HH2    HC     0.14000     6
    C     C       0.450     7
    O     O      -0.450     7
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB    CG    gb_27   
   CG   CD1    gb_10   
   CG   CD2    gb_16   
  CD1   HD1    gb_3    
  CD1   NE1    gb_10   
  CD2   CE2    gb_16   
  CD2   CE3    gb_16   
  NE1   HE1    gb_2    
  NE1   CE2    gb_10   
  CE2   CZ2    gb_16   
  CE3   HE3    gb_3    
  CE3   CZ3    gb_16   
  CZ2   HZ2    gb_3    
  CZ2   CH2    gb_16   
  CZ3   HZ3    gb_3    
  CZ3   CH2    gb_16   
  CH2   HH2    gb_3    
    C     O    gb_5    
    C    +N    gb_10   
 [ exclusions ]
;  ai    aj
   CB   HD1
   CB   NE1
   CB   CE2
   CB   CE3
   CG   HE1
   CG   HE3
   CG   CZ2
   CG   CZ3
  CD1   CE3
  CD1   CZ2
  HD1   CD2
  HD1   HE1
  HD1   CE2
  CD2   HE1
  CD2   HZ2
  CD2   HZ3
  CD2   CH2
  NE1   CE3
  NE1   HZ2
  NE1   CH2
  HE1   CZ2
  CE2   HE3
  CE2   CZ3
  CE2   HH2
  CE3   CZ2
  CE3   HH2
  HE3   HZ3
  HE3   CH2
  CZ2   HZ3
  HZ2   CZ3
  HZ2   HH2
  HZ3   HH2
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB    CG     ga_15   
   CB    CG   CD1     ga_37   
   CB    CG   CD2     ga_37   
  CD1    CG   CD2     ga_7    
   CG   CD1   HD1     ga_36   
   CG   CD1   NE1     ga_7    
  HD1   CD1   NE1     ga_36   
   CG   CD2   CE2     ga_7    
   CG   CD2   CE3     ga_39   
  CE2   CD2   CE3     ga_27   
  CD1   NE1   HE1     ga_36   
  CD1   NE1   CE2     ga_7    
  HE1   NE1   CE2     ga_36   
  CD2   CE2   NE1     ga_7    
  CD2   CE2   CZ2     ga_27   
  NE1   CE2   CZ2     ga_39   
  CD2   CE3   HE3     ga_25   
  CD2   CE3   CZ3     ga_27   
  HE3   CE3   CZ3     ga_25   
  CE2   CZ2   HZ2     ga_25   
  CE2   CZ2   CH2     ga_27   
  HZ2   CZ2   CH2     ga_25   
  CE3   CZ3   HZ3     ga_25   
  CE3   CZ3   CH2     ga_27   
  HZ3   CZ3   CH2     ga_25   
  CZ2   CH2   CZ3     ga_27   
  CZ2   CH2   HH2     ga_25   
  CZ3   CH2   HH2     ga_25   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
   CG   CD1   CD2    CB     gi_1    
   CG   CD1   NE1   CE2     gi_1    
   CG   CD2   CE2   NE1     gi_1    
  CD1    CG   CD2   CE2     gi_1    
  CD1    CG   NE1   HD1     gi_1    
  CD1   NE1   CE2   CD2     gi_1    
  CD2    CG   CD1   NE1     gi_1    
  CD2   CE2   CE3    CG     gi_1    
  CD2   CE2   CZ2   CH2     gi_1    
  CD2   CE3   CZ3   CH2     gi_1    
  NE1   CD1   CE2   HE1     gi_1    
  CE2   CD2   CE3   CZ3     gi_1    
  CE2   CD2   CZ2   NE1     gi_1    
  CE2   CZ2   CH2   CZ3     gi_1    
  CE3   CD2   CE2   CZ2     gi_1    
  CE3   CD2   CZ3   HE3     gi_1    
  CE3   CZ3   CH2   CZ2     gi_1    
  CZ2   CE2   CH2   HZ2     gi_1    
  CZ3   CE3   CH2   HZ3     gi_1    
  CH2   CZ2   CZ3   HH2     gi_1    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB    CG     gd_34   
    N    CA     C    +N     gd_40   
   CA    CB    CG   CD2     gd_40   

[ TYR ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG     C     0.00000     1
  CD1     C    -0.14000     2
  HD1    HC     0.14000     2
  CD2     C    -0.14000     3
  HD2    HC     0.14000     3
  CE1     C    -0.14000     4
  HE1    HC     0.14000     4
  CE2     C    -0.14000     5
  HE2    HC     0.14000     5
   CZ     C     0.20300     6
   OH    OA    -0.61100     6
   HH     H     0.40800     6
    C     C       0.450     7
    O     O      -0.450     7
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB    CG    gb_27   
   CG   CD1    gb_16   
   CG   CD2    gb_16   
  CD1   HD1    gb_3    
  CD1   CE1    gb_16   
  CD2   HD2    gb_3    
  CD2   CE2    gb_16   
  CE1   HE1    gb_3    
  CE1    CZ    gb_16   
  CE2   HE2    gb_3    
  CE2    CZ    gb_16   
   CZ    OH    gb_13   
   OH    HH    gb_1    
    C     O    gb_5    
    C    +N    gb_10   
 [ exclusions ]
;  ai    aj
   CB   HD1
   CB   HD2
   CB   CE1
   CB   CE2
   CG   HE1
   CG   HE2
   CG    CZ
  CD1   HD2
  CD1   CE2
  CD1    OH
  HD1   CD2
  HD1   HE1
  HD1    CZ
  CD2   CE1
  CD2    OH
  HD2   HE2
  HD2    CZ
  CE1   HE2
  HE1   CE2
  HE1    OH
  HE2    OH
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB    CG     ga_15   
   CB    CG   CD1     ga_27   
   CB    CG   CD2     ga_27   
  CD1    CG   CD2     ga_27   
   CG   CD1   HD1     ga_25   
   CG   CD1   CE1     ga_27   
  HD1   CD1   CE1     ga_25   
   CG   CD2   HD2     ga_25   
   CG   CD2   CE2     ga_27   
  HD2   CD2   CE2     ga_25   
  CD1   CE1   HE1     ga_25   
  CD1   CE1    CZ     ga_27   
  HE1   CE1    CZ     ga_25   
  CD2   CE2   HE2     ga_25   
  CD2   CE2    CZ     ga_27   
  HE2   CE2    CZ     ga_25   
  CE1    CZ   CE2     ga_27   
  CE1    CZ    OH     ga_27   
  CE2    CZ    OH     ga_27   
   CZ    OH    HH     ga_12   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
   CG   CD1   CD2    CB     gi_1    
   CG   CD1   CE1    CZ     gi_1    
   CG   CD2   CE2    CZ     gi_1    
  CD1    CG   CD2   CE2     gi_1    
  CD1    CG   CE1   HD1     gi_1    
  CD1   CE1    CZ   CE2     gi_1    
  CD2    CG   CD1   CE1     gi_1    
  CD2    CG   CE2   HD2     gi_1    
  CD2   CE2    CZ   CE1     gi_1    
  HE1   CD1    CZ   CE1     gi_1    
  HE2   CD2    CZ   CE2     gi_1    
   CZ   CE1   CE2    OH     gi_1    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB    CG     gd_34   
    N    CA     C    +N     gd_40   
   CA    CB    CG   CD1     gd_40   
  CE1    CZ    OH    HH     gd_11   

[ VAL ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH1     0.00000     1
  CG1   CH3     0.00000     1
  CG2   CH3     0.00000     1
    C     C       0.450     2
    O     O      -0.450     2
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB   CG1    gb_27   
   CB   CG2    gb_27   
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB   CG1     ga_15   
   CA    CB   CG2     ga_15   
  CG1    CB   CG2     ga_15   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
   CA   CG1   CG2    CB     gi_2    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB   CG1     gd_34   
    N    CA     C    +N     gd_40   

[ DALA ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH3     0.00000     1
    C     C       0.450     2
    O     O      -0.450     2
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CB     N     C    CA     gi_2    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA     C    +N     gd_40   

[ ABU ]
 [ atoms ]
    N     N    -0.31000     0
    H     H     0.31000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG   CH3     0.00000     1
    C     C       0.450     2
    O     O      -0.450     2
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB    CG    gb_27   
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_32   
   -C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB    CG     ga_15   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
   CA     N     C    CB     gi_2    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB    CG     gd_34   
    N    CA     C    +N     gd_40   

[ MEBMT ]
 [ atoms ]
    N     N     0.00000     0
   CN   CH3     0.00000     0
   CA   CH1     0.00000     1
   CB   CH1     0.26600     2
  OG1    OA    -0.67400     2
  HG1     H     0.40800     2
  CG2   CH1     0.00000     3
  CD1   CH3     0.00000     3
  CD2   CH2     0.00000     3
   CE   CR1     0.00000     4
   CZ   CR1     0.00000     4
   CH   CH3     0.00000     4
    C     C       0.450     5
    O     O      -0.450     5
 [ bonds ]
    N    CN    gb_21   
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB   OG1    gb_18   
   CB   CG2    gb_27   
  OG1   HG1    gb_1    
  CG2   CD1    gb_27   
  CG2   CD2    gb_27   
  CD2    CE    gb_27   
   CE    CZ    gb_10   
   CZ    CH    gb_27   
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N    CN     ga_22   
   -C     N    CA     ga_31   
   CN     N    CA     ga_30   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB   OG1     ga_13   
   CA    CB   CG2     ga_15   
  OG1    CB   CG2     ga_15   
   CB   OG1   HG1     ga_12   
   CB   CG2   CD1     ga_15   
   CB   CG2   CD2     ga_15   
  CD1   CG2   CD2     ga_15   
  CG2   CD2    CE     ga_15   
  CD2    CE    CZ     ga_27   
   CE    CZ    CH     ga_27   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA    CN     gi_1    
   CA     N     C    CB     gi_2    
   CB   OG1   CG2    CA     gi_2    
  CG2   CD1   CD2    CB     gi_2    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB   CG2     gd_34   
    N    CA     C    +N     gd_40   
   CA    CB   OG1   HG1     gd_23   
   CA    CB   CG2   CD2     gd_34   
   CB   CG2   CD2    CE     gd_34   
  CG2   CD2    CE    CZ     gd_40   
  CD2    CE    CZ    CH     gd_14   

[ MELEU ]
 [ atoms ]
    N     N     0.00000     0
   CN   CH3     0.00000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG   CH1     0.00000     2
  CD1   CH3     0.00000     2
  CD2   CH3     0.00000     2
    C     C       0.450     3
    O     O      -0.450     3
 [ bonds ]
    N    CN    gb_21   
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB    CG    gb_27   
   CG   CD1    gb_27   
   CG   CD2    gb_27   
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N    CN     ga_22   
   -C     N    CA     ga_31   
   CN     N    CA     ga_30   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB    CG     ga_15   
   CB    CG   CD1     ga_15   
   CB    CG   CD2     ga_15   
  CD1    CG   CD2     ga_15   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA    CN     gi_1    
   CA     N     C    CB     gi_2    
   CB   CD1   CD2    CG     gi_2    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB    CG     gd_34   
    N    CA     C    +N     gd_40   
   CA    CB    CG   CD1     gd_34   

[ MEVAL ]
 [ atoms ]
    N     N     0.00000     0
   CN   CH3     0.00000     0
   CA   CH1     0.00000     1
   CB   CH1     0.00000     1
  CG1   CH3     0.00000     1
  CG2   CH3     0.00000     1
    C     C       0.450     2
    O     O      -0.450     2
 [ bonds ]
    N    CN    gb_21   
    N    CA    gb_21   
   CA    CB    gb_27   
   CA     C    gb_27   
   CB   CG1    gb_27   
   CB   CG2    gb_27   
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N    CN     ga_22   
   -C     N    CA     ga_31   
   CN     N    CA     ga_30   
    N    CA    CB     ga_13   
    N    CA     C     ga_13   
   CB    CA     C     ga_13   
   CA    CB   CG1     ga_15   
   CA    CB   CG2     ga_15   
  CG1    CB   CG2     ga_15   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA    CN     gi_1    
   CA     N     C    CB     gi_2    
   CA   CG1   CG2    CB     gi_2    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA    CB   CG1     gd_34   
    N    CA     C    +N     gd_40   

[ SAR ]
 [ atoms ]
    N     N     0.00000     0
   CN   CH3     0.00000     0
   CA   CH2     0.00000     1
    C     C       0.450     2
    O     O      -0.450     2
 [ bonds ]
    N    CN    gb_21   
    N    CA    gb_21   
   CA     C    gb_27   
    C     O    gb_5    
    C    +N    gb_10   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N    CN     ga_22   
   -C     N    CA     ga_31   
   CN     N    CA     ga_30   
    N    CA     C     ga_13   
   CA     C     O     ga_30   
   CA     C    +N     ga_19   
    O     C    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA    CN     gi_1    
    C    CA    +N     O     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_14   
   -C     N    CA     C     gd_39   
    N    CA     C    +N     gd_40   

[ DADE ]
 [ atoms ]
    P     P     0.99000     0
  O1P    OM    -0.63500     0
  O2P    OM    -0.63500     0
  O5*    OA    -0.36000     0
  C5*   CH2     0.00000     1
  C4*   CH1     0.16000     2
  O4*    OA    -0.36000     2
  C1*   CH1     0.20000     2
   N9    NR    -0.20000     3
   C4     C     0.20000     3
   N3    NR    -0.54000     4
   C2     C     0.44000     4
   H2    HC     0.10000     4
   N1    NR    -0.54000     5
   C6     C     0.54000     5
   N6    NT    -0.83000     6
  H61     H     0.41500     6
  H62     H     0.41500     6
   C5     C     0.00000     7
   N7    NR    -0.54000     7
   C8     C     0.44000     7
   H8    HC     0.10000     7
  C2*  CH2r     0.00000     8
  C3*   CH1       0.000     8
  O3*    OA      -0.360     9
 [ bonds ]
    P   O1P    gb_24   
    P   O2P    gb_24   
    P   O5*    gb_28   
  O5*   C5*    gb_20   
  C5*   C4*    gb_26   
  C4*   O4*    gb_20   
  C4*   C3*    gb_26   
  O4*   C1*    gb_20   
  C1*    N9    gb_22   
  C1*   C2*    gb_26   
   N9    C4    gb_10   
   N9    C8    gb_10   
   C4    N3    gb_12   
   C4    C5    gb_16   
   N3    C2    gb_7    
   C2    H2    gb_3    
   C2    N1    gb_7    
   N1    C6    gb_12   
   C6    N6    gb_9    
   C6    C5    gb_16   
   N6   H61    gb_2    
   N6   H62    gb_2    
   C5    N7    gb_10   
   N7    C8    gb_10   
   C8    H8    gb_3    
  C2*   C3*    gb_26   
  C3*   O3*    gb_20   
  O3*    +P    gb_28   
 [ exclusions ]
;  ai    aj
  C1*    N3
  C1*    C5
  C1*    N7
  C1*    H8
   N9    C2
   N9    C6
   C4    H2
   C4    N1
   C4    N6
   C4    H8
   N3    C6
   N3    N7
   N3    C8
   C2    N6
   C2    C5
   H2    C6
   N1    N7
   C6    C8
   N6    N7
  H61    N7
  H62    N7
   C5    H8
 [ angles ]
;  ai    aj    ak   gromos type
 -O3*     P   O1P     ga_14   
 -O3*     P   O2P     ga_14   
 -O3*     P   O5*     ga_5    
  O1P     P   O2P     ga_29   
  O1P     P   O5*     ga_14   
  O2P     P   O5*     ga_14   
    P   O5*   C5*     ga_26   
  O5*   C5*   C4*     ga_9    
  C5*   C4*   O4*     ga_9    
  C5*   C4*   C3*     ga_8    
  O4*   C4*   C3*     ga_9    
  C4*   O4*   C1*     ga_10   
  O4*   C1*    N9     ga_9    
  O4*   C1*   C2*     ga_9    
   N9   C1*   C2*     ga_9    
  C1*    N9    C4     ga_37   
  C1*    N9    C8     ga_37   
   C4    N9    C8     ga_7    
   N9    C4    N3     ga_39   
   N9    C4    C5     ga_7    
   N3    C4    C5     ga_27   
   C4    N3    C2     ga_27   
   N3    C2    H2     ga_25   
   N3    C2    N1     ga_27   
   H2    C2    N1     ga_25   
   C2    N1    C6     ga_27   
   N1    C6    N6     ga_27   
   N1    C6    C5     ga_27   
   N6    C6    C5     ga_27   
   C6    N6   H61     ga_23   
   C6    N6   H62     ga_23   
  H61    N6   H62     ga_24   
   C4    C5    C6     ga_27   
   C4    C5    N7     ga_7    
   C6    C5    N7     ga_39   
   C5    N7    C8     ga_7    
   N9    C8    N7     ga_7    
   N9    C8    H8     ga_36   
   N7    C8    H8     ga_36   
  C1*   C2*   C3*     ga_8    
  C4*   C3*   C2*     ga_8    
  C4*   C3*   O3*     ga_9    
  C2*   C3*   O3*     ga_9    
  C3*   O3*    +P     ga_26   
 [ impropers ]
;  ai    aj    ak    al   gromos type
  C1*    C4    C8    N9     gi_1    
   N9    C4    C5    N7     gi_1    
   C4    N9    N3    C5     gi_1    
   C4    N9    C8    N7     gi_1    
   C4    N3    C2    N1     gi_1    
   C4    C5    N7    C8     gi_1    
   N3    C4    C5    C6     gi_1    
   N3    C2    N1    C6     gi_1    
   C2    N3    H2    N1     gi_1    
   C2    N1    C6    C5     gi_1    
   N1    C6    C5    C4     gi_1    
   N6    N1    C5    C6     gi_1    
   N6   H61   H62    C6     gi_1    
   C5    C4    N3    C2     gi_1    
   C5    C6    N7    C4     gi_1    
   C5    N7    C8    N9     gi_1    
   C8    N9    C4    C5     gi_1    
   C8    N9    N7    H8     gi_1    
  C2*   O4*    N9   C1*     gi_2    
  C3*   C5*   O4*   C4*     gi_2    
  C3*   C2*   O3*   C4*     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
 -C3*  -O3*     P   O5*     gd_20   
 -C3*  -O3*     P   O5*     gd_27   
 -O3*     P   O5*   C5*     gd_20   
 -O3*     P   O5*   C5*     gd_27   
    P   O5*   C5*   C4*     gd_7    
  O5*   C5*   C4*   O4*     gd_8    
  O5*   C5*   C4*   O4*     gd_25   
  O5*   C5*   C4*   C3*     gd_17   
  O5*   C5*   C4*   C3*     gd_34   
  C3*   C4*   O4*   C1*     gd_29   
  C5*   C4*   C3*   C2*     gd_34   
  C5*   C4*   C3*   O3*     gd_17   
  O4*   C4*   C3*   C2*     gd_17   
  O4*   C4*   C3*   O3*     gd_18   
  C4*   O4*   C1*   C2*     gd_29   
  O4*   C1*    N9    C4     gd_16   
  O4*   C1*   C2*   C3*     gd_17   
  O4*   C1*   C2*   C3*     gd_34   
   C5    C6    N6   H61     gd_14   
  C1*   C2*   C3*   C4*     gd_34   
  C1*   C2*   C3*   O3*     gd_17   
  C4*   C3*   O3*    +P     gd_29   

[ DGUA ]
 [ atoms ]
    P     P     0.99000     0
  O1P    OM    -0.63500     0
  O2P    OM    -0.63500     0
  O5*    OA    -0.36000     0
  C5*   CH2     0.00000     1
  C4*   CH1     0.16000     2
  O4*    OA    -0.36000     2
  C1*   CH1     0.20000     2
   N9    NR    -0.20000     3
   C4     C     0.20000     3
   N3    NR    -0.54000     4
   C2     C     0.54000     4
   N2    NT    -0.83000     5
  H21     H     0.41500     5
  H22     H     0.41500     5
   N1    NR    -0.31000     6
   H1     H     0.31000     6
   C6     C     0.45000     7
   O6     O    -0.45000     7
   C5     C     0.00000     8
   N7    NR    -0.54000     8
   C8     C     0.44000     8
   H8    HC     0.10000     8
  C2*  CH2r     0.00000     9
  C3*   CH1       0.000     9
  O3*    OA      -0.360    10
 [ bonds ]
    P   O1P    gb_24   
    P   O2P    gb_24   
    P   O5*    gb_28   
  O5*   C5*    gb_20   
  C5*   C4*    gb_26   
  C4*   O4*    gb_20   
  C4*   C3*    gb_26   
  O4*   C1*    gb_20   
  C1*    N9    gb_22   
  C1*   C2*    gb_26   
   N9    C4    gb_10   
   N9    C8    gb_10   
   C4    N3    gb_12   
   C4    C5    gb_16   
   N3    C2    gb_12   
   C2    N2    gb_9    
   C2    N1    gb_17   
   N2   H21    gb_2    
   N2   H22    gb_2    
   N1    H1    gb_2    
   N1    C6    gb_17   
   C6    O6    gb_5    
   C6    C5    gb_16   
   C5    N7    gb_10   
   N7    C8    gb_10   
   C8    H8    gb_3    
  C2*   C3*    gb_26   
  C3*   O3*    gb_20   
  O3*    +P    gb_28   
 [ exclusions ]
;  ai    aj
  C1*    N3
  C1*    C5
  C1*    N7
  C1*    H8
   N9    C2
   N9    C6
   C4    N2
   C4    N1
   C4    O6
   C4    H8
   N3    H1
   N3    C6
   N3    N7
   N3    C8
   C2    O6
   C2    C5
   N2    H1
   N2    C6
   N1    N7
   H1    O6
   H1    C5
   C6    C8
   O6    N7
   C5    H8
 [ angles ]
;  ai    aj    ak   gromos type
 -O3*     P   O1P     ga_14   
 -O3*     P   O2P     ga_14   
 -O3*     P   O5*     ga_5    
  O1P     P   O2P     ga_29   
  O1P     P   O5*     ga_14   
  O2P     P   O5*     ga_14   
    P   O5*   C5*     ga_26   
  O5*   C5*   C4*     ga_9    
  C5*   C4*   O4*     ga_9    
  C5*   C4*   C3*     ga_8    
  O4*   C4*   C3*     ga_9    
  C4*   O4*   C1*     ga_10   
  O4*   C1*    N9     ga_9    
  O4*   C1*   C2*     ga_9    
   N9   C1*   C2*     ga_9    
  C1*    N9    C4     ga_37   
  C1*    N9    C8     ga_37   
   C4    N9    C8     ga_7    
   N9    C4    N3     ga_39   
   N9    C4    C5     ga_7    
   N3    C4    C5     ga_27   
   C4    N3    C2     ga_27   
   N3    C2    N2     ga_27   
   N3    C2    N1     ga_27   
   N2    C2    N1     ga_27   
   C2    N2   H21     ga_23   
   C2    N2   H22     ga_23   
  H21    N2   H22     ga_24   
   C2    N1    H1     ga_25   
   C2    N1    C6     ga_27   
   H1    N1    C6     ga_25   
   N1    C6    O6     ga_27   
   N1    C6    C5     ga_27   
   O6    C6    C5     ga_27   
   C4    C5    C6     ga_27   
   C4    C5    N7     ga_7    
   C6    C5    N7     ga_39   
   C5    N7    C8     ga_7    
   N9    C8    N7     ga_7    
   N9    C8    H8     ga_36   
   N7    C8    H8     ga_36   
  C1*   C2*   C3*     ga_8    
  C4*   C3*   C2*     ga_8    
  C4*   C3*   O3*     ga_9    
  C2*   C3*   O3*     ga_9    
  C3*   O3*    +P     ga_26   
 [ impropers ]
;  ai    aj    ak    al   gromos type
  C1*    C4    C8    N9     gi_1    
   N9    C4    C5    N7     gi_1    
   C4    N9    N3    C5     gi_1    
   C4    N9    C8    N7     gi_1    
   C4    N3    C2    N1     gi_1    
   C4    C5    N7    C8     gi_1    
   N3    C4    C5    C6     gi_1    
   N3    C2    N1    C6     gi_1    
   C2    N1    C6    C5     gi_1    
   N2    N3    N1    C2     gi_1    
   N2   H21   H22    C2     gi_1    
   N1    C6    C5    C4     gi_1    
   H1    C2    C6    N1     gi_1    
   O6    N1    C5    C6     gi_1    
   C5    C4    N3    C2     gi_1    
   C5    C6    N7    C4     gi_1    
   C5    N7    C8    N9     gi_1    
   C8    N9    C4    C5     gi_1    
   C8    N9    N7    H8     gi_1    
  C2*   O4*    N9   C1*     gi_2    
  C3*   C5*   O4*   C4*     gi_2    
  C3*   C2*   O3*   C4*     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
 -C3*  -O3*     P   O5*     gd_20   
 -C3*  -O3*     P   O5*     gd_27   
 -O3*     P   O5*   C5*     gd_20   
 -O3*     P   O5*   C5*     gd_27   
    P   O5*   C5*   C4*     gd_7    
  O5*   C5*   C4*   O4*     gd_8    
  O5*   C5*   C4*   O4*     gd_25   
  O5*   C5*   C4*   C3*     gd_17   
  O5*   C5*   C4*   C3*     gd_34   
  C3*   C4*   O4*   C1*     gd_29   
  C5*   C4*   C3*   C2*     gd_34   
  C5*   C4*   C3*   O3*     gd_17   
  O4*   C4*   C3*   C2*     gd_17   
  O4*   C4*   C3*   O3*     gd_18   
  C4*   O4*   C1*   C2*     gd_29   
  O4*   C1*    N9    C4     gd_16   
  O4*   C1*   C2*   C3*     gd_17   
  O4*   C1*   C2*   C3*     gd_34   
   N3    C2    N2   H21     gd_14   
  C1*   C2*   C3*   C4*     gd_34   
  C1*   C2*   C3*   O3*     gd_17   
  C4*   C3*   O3*    +P     gd_29   

[ DCYT ]
 [ atoms ]
    P     P     0.99000     0
  O1P    OM    -0.63500     0
  O2P    OM    -0.63500     0
  O5*    OA    -0.36000     0
  C5*   CH2     0.00000     1
  C4*   CH1     0.16000     2
  O4*    OA    -0.36000     2
  C1*   CH1     0.20000     2
   N1    NR    -0.20000     3
   C6     C     0.10000     3
   H6    HC     0.10000     3
   C2     C     0.45000     4
   O2     O    -0.45000     4
   N3    NR    -0.54000     5
   C4     C     0.54000     5
   N4    NT    -0.83000     6
  H41     H     0.41500     6
  H42     H     0.41500     6
   C5     C    -0.10000     7
   H5    HC     0.10000     7
  C2*  CH2r     0.00000     8
  C3*   CH1       0.000     8
  O3*    OA      -0.360     9
 [ bonds ]
    P   O1P    gb_24   
    P   O2P    gb_24   
    P   O5*    gb_28   
  O5*   C5*    gb_20   
  C5*   C4*    gb_26   
  C4*   O4*    gb_20   
  C4*   C3*    gb_26   
  O4*   C1*    gb_20   
  C1*    N1    gb_23   
  C1*   C2*    gb_26   
   N1    C6    gb_17   
   N1    C2    gb_17   
   C6    H6    gb_3    
   C6    C5    gb_16   
   C2    O2    gb_5    
   C2    N3    gb_12   
   N3    C4    gb_12   
   C4    N4    gb_9    
   C4    C5    gb_16   
   N4   H41    gb_2    
   N4   H42    gb_2    
   C5    H5    gb_3    
  C2*   C3*    gb_26   
  C3*   O3*    gb_20   
  O3*    +P    gb_28   
 [ exclusions ]
;  ai    aj
  C1*    H6
  C1*    O2
  C1*    N3
  C1*    C5
   N1    C4
   N1    H5
   C6    O2
   C6    N3
   C6    N4
   H6    C2
   H6    C4
   H6    H5
   C2    N4
   C2    C5
   O2    C4
   N3    H5
   N4    H5
 [ angles ]
;  ai    aj    ak   gromos type
 -O3*     P   O1P     ga_14   
 -O3*     P   O2P     ga_14   
 -O3*     P   O5*     ga_5    
  O1P     P   O2P     ga_29   
  O1P     P   O5*     ga_14   
  O2P     P   O5*     ga_14   
    P   O5*   C5*     ga_26   
  O5*   C5*   C4*     ga_9    
  C5*   C4*   O4*     ga_9    
  C5*   C4*   C3*     ga_8    
  O4*   C4*   C3*     ga_9    
  C4*   O4*   C1*     ga_10   
  O4*   C1*    N1     ga_9    
  O4*   C1*   C2*     ga_9    
   N1   C1*   C2*     ga_8    
  C1*    N1    C6     ga_27   
  C1*    N1    C2     ga_27   
   C6    N1    C2     ga_27   
   N1    C6    H6     ga_25   
   N1    C6    C5     ga_27   
   H6    C6    C5     ga_25   
   N1    C2    O2     ga_27   
   N1    C2    N3     ga_27   
   O2    C2    N3     ga_27   
   C2    N3    C4     ga_27   
   N3    C4    N4     ga_27   
   N3    C4    C5     ga_27   
   N4    C4    C5     ga_27   
   C4    N4   H41     ga_23   
   C4    N4   H42     ga_23   
  H41    N4   H42     ga_24   
   C6    C5    C4     ga_27   
   C6    C5    H5     ga_25   
   C4    C5    H5     ga_25   
  C1*   C2*   C3*     ga_8    
  C4*   C3*   C2*     ga_8    
  C4*   C3*   O3*     ga_9    
  C2*   C3*   O3*     ga_9    
  C3*   O3*    +P     ga_26   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   N1    C6    C2   C1*     gi_1    
   N1    C6    C5    C4     gi_1    
   N1    C2    N3    C4     gi_1    
   C6    N1    C2    N3     gi_1    
   C6    N1    C5    H6     gi_1    
   C2    N1    C6    C5     gi_1    
   C2    N3    C4    C5     gi_1    
   O2    N1    N3    C2     gi_1    
   N3    C4    C5    C6     gi_1    
   N4    N3    C5    C4     gi_1    
   N4   H41   H42    C4     gi_1    
   C5    C6    C4    H5     gi_1    
  C2*   O4*    N1   C1*     gi_2    
  C3*   C5*   O4*   C4*     gi_2    
  C3*   C2*   O3*   C4*     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
 -C3*  -O3*     P   O5*     gd_20   
 -C3*  -O3*     P   O5*     gd_27   
 -O3*     P   O5*   C5*     gd_20   
 -O3*     P   O5*   C5*     gd_27   
    P   O5*   C5*   C4*     gd_7    
  O5*   C5*   C4*   O4*     gd_8    
  O5*   C5*   C4*   O4*     gd_25   
  O5*   C5*   C4*   C3*     gd_17   
  O5*   C5*   C4*   C3*     gd_34   
  C3*   C4*   O4*   C1*     gd_29   
  C5*   C4*   C3*   C2*     gd_34   
  C5*   C4*   C3*   O3*     gd_17   
  O4*   C4*   C3*   C2*     gd_17   
  O4*   C4*   C3*   O3*     gd_18   
  C4*   O4*   C1*   C2*     gd_29   
  O4*   C1*    N1    C2     gd_16   
  O4*   C1*   C2*   C3*     gd_17   
  O4*   C1*   C2*   C3*     gd_34   
   N3    C4    N4   H41     gd_14   
  C1*   C2*   C3*   C4*     gd_34   
  C1*   C2*   C3*   O3*     gd_17   
  C4*   C3*   O3*    +P     gd_29   

[ DTHY ]
 [ atoms ]
    P     P     0.99000     0
  O1P    OM    -0.63500     0
  O2P    OM    -0.63500     0
  O5*    OA    -0.36000     0
  C5*   CH2     0.00000     1
  C4*   CH1     0.16000     2
  O4*    OA    -0.36000     2
  C1*   CH1     0.20000     2
   N1    NR    -0.20000     3
   C6     C     0.10000     3
   H6    HC     0.10000     3
   C2     C     0.45000     4
   O2     O    -0.45000     4
   N3    NR    -0.31000     5
   H3     H     0.31000     5
   C4     C     0.45000     6
   O4     O    -0.45000     6
   C5     C     0.00000     7
  C5M   CH3     0.00000     7
  C2*  CH2r     0.00000     8
  C3*   CH1       0.000     8
  O3*    OA      -0.360     9
 [ bonds ]
    P   O1P    gb_24   
    P   O2P    gb_24   
    P   O5*    gb_28   
  O5*   C5*    gb_20   
  C5*   C4*    gb_26   
  C4*   O4*    gb_20   
  C4*   C3*    gb_26   
  O4*   C1*    gb_20   
  C1*    N1    gb_23   
  C1*   C2*    gb_26   
   N1    C6    gb_17   
   N1    C2    gb_17   
   C6    H6    gb_3    
   C6    C5    gb_16   
   C2    O2    gb_5    
   C2    N3    gb_17   
   N3    H3    gb_2    
   N3    C4    gb_17   
   C4    O4    gb_5    
   C4    C5    gb_16   
   C5   C5M    gb_27   
  C2*   C3*    gb_26   
  C3*   O3*    gb_20   
  O3*    +P    gb_28   
 [ exclusions ]
;  ai    aj
  C1*    H6
  C1*    O2
  C1*    N3
  C1*    C5
   N1    H3
   N1    C4
   N1   C5M
   C6    O2
   C6    N3
   C6    O4
   H6    C2
   H6    C4
   H6   C5M
   C2    O4
   C2    C5
   O2    H3
   O2    C4
   N3   C5M
   H3    O4
   H3    C5
   O4   C5M
 [ angles ]
;  ai    aj    ak   gromos type
 -O3*     P   O1P     ga_14   
 -O3*     P   O2P     ga_14   
 -O3*     P   O5*     ga_5    
  O1P     P   O2P     ga_29   
  O1P     P   O5*     ga_14   
  O2P     P   O5*     ga_14   
    P   O5*   C5*     ga_26   
  O5*   C5*   C4*     ga_9    
  C5*   C4*   O4*     ga_9    
  C5*   C4*   C3*     ga_8    
  O4*   C4*   C3*     ga_9    
  C4*   O4*   C1*     ga_10   
  O4*   C1*    N1     ga_9    
  O4*   C1*   C2*     ga_9    
   N1   C1*   C2*     ga_8    
  C1*    N1    C6     ga_27   
  C1*    N1    C2     ga_27   
   C6    N1    C2     ga_27   
   N1    C6    H6     ga_25   
   N1    C6    C5     ga_27   
   H6    C6    C5     ga_25   
   N1    C2    O2     ga_27   
   N1    C2    N3     ga_27   
   O2    C2    N3     ga_27   
   C2    N3    H3     ga_25   
   C2    N3    C4     ga_27   
   H3    N3    C4     ga_25   
   N3    C4    O4     ga_27   
   N3    C4    C5     ga_27   
   O4    C4    C5     ga_27   
   C6    C5    C4     ga_27   
   C6    C5   C5M     ga_27   
   C4    C5   C5M     ga_27   
  C1*   C2*   C3*     ga_8    
  C4*   C3*   C2*     ga_8    
  C4*   C3*   O3*     ga_9    
  C2*   C3*   O3*     ga_9    
  C3*   O3*    +P     ga_26   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   N1    C6    C2   C1*     gi_1    
   N1    C6    C5    C4     gi_1    
   N1    C2    N3    C4     gi_1    
   C6    N1    C2    N3     gi_1    
   C6    N1    C5    H6     gi_1    
   C2    N1    C6    C5     gi_1    
   C2    N3    C4    C5     gi_1    
   O2    N1    N3    C2     gi_1    
   N3    C4    C5    C6     gi_1    
   H3    C2    C4    N3     gi_1    
   O4    N3    C5    C4     gi_1    
   C5    C6    C4   C5M     gi_1    
  C2*   O4*    N1   C1*     gi_2    
  C3*   C5*   O4*   C4*     gi_2    
  C3*   C2*   O3*   C4*     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
 -C3*  -O3*     P   O5*     gd_20   
 -C3*  -O3*     P   O5*     gd_27   
 -O3*     P   O5*   C5*     gd_20   
 -O3*     P   O5*   C5*     gd_27   
    P   O5*   C5*   C4*     gd_7    
  O5*   C5*   C4*   O4*     gd_8    
  O5*   C5*   C4*   O4*     gd_25   
  O5*   C5*   C4*   C3*     gd_17   
  O5*   C5*   C4*   C3*     gd_34   
  C3*   C4*   O4*   C1*     gd_29   
  C5*   C4*   C3*   C2*     gd_34   
  C5*   C4*   C3*   O3*     gd_17   
  O4*   C4*   C3*   C2*     gd_17   
  O4*   C4*   C3*   O3*     gd_18   
  C4*   O4*   C1*   C2*     gd_29   
  O4*   C1*    N1    C2     gd_16   
  O4*   C1*   C2*   C3*     gd_17   
  O4*   C1*   C2*   C3*     gd_34   
  C1*   C2*   C3*   C4*     gd_34   
  C1*   C2*   C3*   O3*     gd_17   
  C4*   C3*   O3*    +P     gd_29   

[ ADE ]
 [ atoms ]
    P     P     0.99000     0
  O1P    OM    -0.63500     0
  O2P    OM    -0.63500     0
  O5*    OA    -0.36000     0
  C5*   CH2     0.00000     1
  C4*   CH1     0.16000     2
  O4*    OA    -0.36000     2
  C1*   CH1     0.20000     2
   N9    NR    -0.20000     3
   C4     C     0.20000     3
   N3    NR    -0.54000     4
   C2     C     0.44000     4
   H2    HC     0.10000     4
   N1    NR    -0.54000     5
   C6     C     0.54000     5
   N6    NT    -0.83000     6
  H61     H     0.41500     6
  H62     H     0.41500     6
   C5     C     0.00000     7
   N7    NR    -0.54000     7
   C8     C     0.44000     7
   H8    HC     0.10000     7
  C2*   CH1     0.15000     8
  O2*    OA    -0.54800     8
  H2*     H     0.39800     8
  C3*   CH1       0.000     9
  O3*    OA      -0.360    10
 [ bonds ]
    P   O1P    gb_24   
    P   O2P    gb_24   
    P   O5*    gb_28   
  O5*   C5*    gb_20   
  C5*   C4*    gb_26   
  C4*   O4*    gb_20   
  C4*   C3*    gb_26   
  O4*   C1*    gb_20   
  C1*    N9    gb_22   
  C1*   C2*    gb_26   
   N9    C4    gb_10   
   N9    C8    gb_10   
   C4    N3    gb_12   
   C4    C5    gb_16   
   N3    C2    gb_7    
   C2    H2    gb_3    
   C2    N1    gb_7    
   N1    C6    gb_12   
   C6    N6    gb_9    
   C6    C5    gb_16   
   N6   H61    gb_2    
   N6   H62    gb_2    
   C5    N7    gb_10   
   N7    C8    gb_10   
   C8    H8    gb_3    
  C2*   O2*    gb_20   
  C2*   C3*    gb_26   
  O2*   H2*    gb_1    
  C3*   O3*    gb_20   
  O3*    +P    gb_28   
 [ exclusions ]
;  ai    aj
  C1*    N3
  C1*    C5
  C1*    N7
  C1*    H8
   N9    C2
   N9    C6
   C4    H2
   C4    N1
   C4    N6
   C4    H8
   N3    C6
   N3    N7
   N3    C8
   C2    N6
   C2    C5
   H2    C6
   N1    N7
   C6    C8
   N6    N7
  H61    N7
  H62    N7
   C5    H8
 [ angles ]
;  ai    aj    ak   gromos type
 -O3*     P   O1P     ga_14   
 -O3*     P   O2P     ga_14   
 -O3*     P   O5*     ga_5    
  O1P     P   O2P     ga_29   
  O1P     P   O5*     ga_14   
  O2P     P   O5*     ga_14   
    P   O5*   C5*     ga_26   
  O5*   C5*   C4*     ga_9    
  C5*   C4*   O4*     ga_9    
  C5*   C4*   C3*     ga_8    
  O4*   C4*   C3*     ga_9    
  C4*   O4*   C1*     ga_10   
  O4*   C1*    N9     ga_9    
  O4*   C1*   C2*     ga_9    
   N9   C1*   C2*     ga_9    
  C1*    N9    C4     ga_37   
  C1*    N9    C8     ga_37   
   C4    N9    C8     ga_7    
   N9    C4    N3     ga_39   
   N9    C4    C5     ga_7    
   N3    C4    C5     ga_27   
   C4    N3    C2     ga_27   
   N3    C2    H2     ga_25   
   N3    C2    N1     ga_27   
   H2    C2    N1     ga_25   
   C2    N1    C6     ga_27   
   N1    C6    N6     ga_27   
   N1    C6    C5     ga_27   
   N6    C6    C5     ga_27   
   C6    N6   H61     ga_23   
   C6    N6   H62     ga_23   
  H61    N6   H62     ga_24   
   C4    C5    C6     ga_27   
   C4    C5    N7     ga_7    
   C6    C5    N7     ga_39   
   C5    N7    C8     ga_7    
   N9    C8    N7     ga_7    
   N9    C8    H8     ga_36   
   N7    C8    H8     ga_36   
  C1*   C2*   O2*     ga_9    
  C1*   C2*   C3*     ga_8    
  O2*   C2*   C3*     ga_9    
  C2*   O2*   H2*     ga_12   
  C4*   C3*   C2*     ga_8    
  C4*   C3*   O3*     ga_9    
  C2*   C3*   O3*     ga_9    
  C3*   O3*    +P     ga_26   
 [ impropers ]
;  ai    aj    ak    al   gromos type
  C1*    C4    C8    N9     gi_1    
   N9    C4    C5    N7     gi_1    
   C4    N9    N3    C5     gi_1    
   C4    N9    C8    N7     gi_1    
   C4    N3    C2    N1     gi_1    
   C4    C5    N7    C8     gi_1    
   N3    C4    C5    C6     gi_1    
   N3    C2    N1    C6     gi_1    
   C2    N3    H2    N1     gi_1    
   C2    N1    C6    C5     gi_1    
   N1    C6    C5    C4     gi_1    
   N6    N1    C5    C6     gi_1    
   N6   H61   H62    C6     gi_1    
   C5    C4    N3    C2     gi_1    
   C5    C6    N7    C4     gi_1    
   C5    N7    C8    N9     gi_1    
   C8    N9    C4    C5     gi_1    
   C8    N9    N7    H8     gi_1    
  C2*   O4*    N9   C1*     gi_2    
  C2*   O2*   C3*   C1*     gi_2    
  C3*   C5*   O4*   C4*     gi_2    
  C3*   C2*   O3*   C4*     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
 -C3*  -O3*     P   O5*     gd_20   
 -C3*  -O3*     P   O5*     gd_27   
 -O3*     P   O5*   C5*     gd_20   
 -O3*     P   O5*   C5*     gd_27   
    P   O5*   C5*   C4*     gd_7    
  O5*   C5*   C4*   O4*     gd_8    
  O5*   C5*   C4*   O4*     gd_25   
  O5*   C5*   C4*   C3*     gd_17   
  O5*   C5*   C4*   C3*     gd_34   
  C3*   C4*   O4*   C1*     gd_29   
  C5*   C4*   C3*   C2*     gd_34   
  C5*   C4*   C3*   O3*     gd_17   
  O4*   C4*   C3*   C2*     gd_17   
  O4*   C4*   C3*   O3*     gd_18   
  C4*   O4*   C1*   C2*     gd_29   
  O4*   C1*    N9    C4     gd_16   
  O4*   C1*   C2*   O2*     gd_18   
  O4*   C1*   C2*   C3*     gd_17   
  O4*   C1*   C2*   C3*     gd_34   
   N9   C1*   C2*   O2*     gd_17   
   C5    C6    N6   H61     gd_14   
  C1*   C2*   O2*   H2*     gd_23   
  C1*   C2*   C3*   C4*     gd_34   
  C1*   C2*   C3*   O3*     gd_17   
  O2*   C2*   C3*   C4*     gd_17   
  O2*   C2*   C3*   O3*     gd_18   
  C4*   C3*   O3*    +P     gd_29   

[ GUA ]
 [ atoms ]
    P     P     0.99000     0
  O1P    OM    -0.63500     0
  O2P    OM    -0.63500     0
  O5*    OA    -0.36000     0
  C5*   CH2     0.00000     1
  C4*   CH1     0.16000     2
  O4*    OA    -0.36000     2
  C1*   CH1     0.20000     2
   N9    NR    -0.20000     3
   C4     C     0.20000     3
   N3    NR    -0.54000     4
   C2     C     0.54000     4
   N2    NT    -0.83000     5
  H21     H     0.41500     5
  H22     H     0.41500     5
   N1    NR    -0.31000     6
   H1     H     0.31000     6
   C6     C     0.45000     7
   O6     O    -0.45000     7
   C5     C     0.00000     8
   N7    NR    -0.54000     8
   C8     C     0.44000     8
   H8    HC     0.10000     8
  C2*   CH1     0.15000     9
  O2*    OA    -0.54800     9
  H2*     H     0.39800     9
  C3*   CH1       0.000    10
  O3*    OA      -0.360    11
 [ bonds ]
    P   O1P    gb_24   
    P   O2P    gb_24   
    P   O5*    gb_28   
  O5*   C5*    gb_20   
  C5*   C4*    gb_26   
  C4*   O4*    gb_20   
  C4*   C3*    gb_26   
  O4*   C1*    gb_20   
  C1*    N9    gb_22   
  C1*   C2*    gb_26   
   N9    C4    gb_10   
   N9    C8    gb_10   
   C4    N3    gb_12   
   C4    C5    gb_16   
   N3    C2    gb_12   
   C2    N2    gb_9    
   C2    N1    gb_17   
   N2   H21    gb_2    
   N2   H22    gb_2    
   N1    H1    gb_2    
   N1    C6    gb_17   
   C6    O6    gb_5    
   C6    C5    gb_16   
   C5    N7    gb_10   
   N7    C8    gb_10   
   C8    H8    gb_3    
  C2*   O2*    gb_20   
  C2*   C3*    gb_26   
  O2*   H2*    gb_1    
  C3*   O3*    gb_20   
  O3*    +P    gb_28   
 [ exclusions ]
;  ai    aj
  C1*    N3
  C1*    C5
  C1*    N7
  C1*    H8
   N9    C2
   N9    C6
   C4    N2
   C4    N1
   C4    O6
   C4    H8
   N3    H1
   N3    C6
   N3    N7
   N3    C8
   C2    O6
   C2    C5
   N2    H1
   N2    C6
   N1    N7
   H1    O6
   H1    C5
   C6    C8
   O6    N7
   C5    H8
 [ angles ]
;  ai    aj    ak   gromos type
 -O3*     P   O1P     ga_14   
 -O3*     P   O2P     ga_14   
 -O3*     P   O5*     ga_5    
  O1P     P   O2P     ga_29   
  O1P     P   O5*     ga_14   
  O2P     P   O5*     ga_14   
    P   O5*   C5*     ga_26   
  O5*   C5*   C4*     ga_9    
  C5*   C4*   O4*     ga_9    
  C5*   C4*   C3*     ga_8    
  O4*   C4*   C3*     ga_9    
  C4*   O4*   C1*     ga_10   
  O4*   C1*    N9     ga_9    
  O4*   C1*   C2*     ga_9    
   N9   C1*   C2*     ga_9    
  C1*    N9    C4     ga_37   
  C1*    N9    C8     ga_37   
   C4    N9    C8     ga_7    
   N9    C4    N3     ga_39   
   N9    C4    C5     ga_7    
   N3    C4    C5     ga_27   
   C4    N3    C2     ga_27   
   N3    C2    N2     ga_27   
   N3    C2    N1     ga_27   
   N2    C2    N1     ga_27   
   C2    N2   H21     ga_23   
   C2    N2   H22     ga_23   
  H21    N2   H22     ga_24   
   C2    N1    H1     ga_25   
   C2    N1    C6     ga_27   
   H1    N1    C6     ga_25   
   N1    C6    O6     ga_27   
   N1    C6    C5     ga_27   
   O6    C6    C5     ga_27   
   C4    C5    C6     ga_27   
   C4    C5    N7     ga_7    
   C6    C5    N7     ga_39   
   C5    N7    C8     ga_7    
   N9    C8    N7     ga_7    
   N9    C8    H8     ga_36   
   N7    C8    H8     ga_36   
  C1*   C2*   O2*     ga_9    
  C1*   C2*   C3*     ga_8    
  O2*   C2*   C3*     ga_9    
  C2*   O2*   H2*     ga_12   
  C4*   C3*   C2*     ga_8    
  C4*   C3*   O3*     ga_9    
  C2*   C3*   O3*     ga_9    
  C3*   O3*    +P     ga_26   
 [ impropers ]
;  ai    aj    ak    al   gromos type
  C1*    C4    C8    N9     gi_1    
   N9    C4    C5    N7     gi_1    
   C4    N9    N3    C5     gi_1    
   C4    N9    C8    N7     gi_1    
   C4    N3    C2    N1     gi_1    
   C4    C5    N7    C8     gi_1    
   N3    C4    C5    C6     gi_1    
   N3    C2    N1    C6     gi_1    
   C2    N1    C6    C5     gi_1    
   N2    N3    N1    C2     gi_1    
   N2   H21   H22    C2     gi_1    
   N1    C6    C5    C4     gi_1    
   H1    C2    C6    N1     gi_1    
   O6    N1    C5    C6     gi_1    
   C5    C4    N3    C2     gi_1    
   C5    C6    N7    C4     gi_1    
   C5    N7    C8    N9     gi_1    
   C8    N9    C4    C5     gi_1    
   C8    N9    N7    H8     gi_1    
  C2*   O4*    N9   C1*     gi_2    
  C2*   O2*   C3*   C1*     gi_2    
  C3*   C5*   O4*   C4*     gi_2    
  C3*   C2*   O3*   C4*     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
 -C3*  -O3*     P   O5*     gd_20   
 -C3*  -O3*     P   O5*     gd_27   
 -O3*     P   O5*   C5*     gd_20   
 -O3*     P   O5*   C5*     gd_27   
    P   O5*   C5*   C4*     gd_7    
  O5*   C5*   C4*   O4*     gd_8    
  O5*   C5*   C4*   O4*     gd_25   
  O5*   C5*   C4*   C3*     gd_17   
  O5*   C5*   C4*   C3*     gd_34   
  C3*   C4*   O4*   C1*     gd_29   
  C5*   C4*   C3*   C2*     gd_34   
  C5*   C4*   C3*   O3*     gd_17   
  O4*   C4*   C3*   C2*     gd_17   
  O4*   C4*   C3*   O3*     gd_18   
  C4*   O4*   C1*   C2*     gd_29   
  O4*   C1*    N9    C4     gd_16   
  O4*   C1*   C2*   O2*     gd_18   
  O4*   C1*   C2*   C3*     gd_17   
  O4*   C1*   C2*   C3*     gd_34   
   N9   C1*   C2*   O2*     gd_17   
   N3    C2    N2   H21     gd_14   
  C1*   C2*   O2*   H2*     gd_23   
  C1*   C2*   C3*   C4*     gd_34   
  C1*   C2*   C3*   O3*     gd_17   
  O2*   C2*   C3*   C4*     gd_17   
  O2*   C2*   C3*   O3*     gd_18   
  C4*   C3*   O3*    +P     gd_29   

[ CYT ]
 [ atoms ]
    P     P     0.99000     0
  O1P    OM    -0.63500     0
  O2P    OM    -0.63500     0
  O5*    OA    -0.36000     0
  C5*   CH2     0.00000     1
  C4*   CH1     0.16000     2
  O4*    OA    -0.36000     2
  C1*   CH1     0.20000     2
   N1    NR    -0.20000     3
   C6     C     0.10000     3
   H6    HC     0.10000     3
   C2     C     0.45000     4
   O2     O    -0.45000     4
   N3    NR    -0.54000     5
   C4     C     0.54000     5
   N4    NT    -0.83000     6
  H41     H     0.41500     6
  H42     H     0.41500     6
   C5     C    -0.10000     7
   H5    HC     0.10000     7
  C2*   CH1     0.15000     8
  O2*    OA    -0.54800     8
  H2*     H     0.39800     8
  C3*   CH1       0.000     9
  O3*    OA      -0.360    10
 [ bonds ]
    P   O1P    gb_24   
    P   O2P    gb_24   
    P   O5*    gb_28   
  O5*   C5*    gb_20   
  C5*   C4*    gb_26   
  C4*   O4*    gb_20   
  C4*   C3*    gb_26   
  O4*   C1*    gb_20   
  C1*    N1    gb_23   
  C1*   C2*    gb_26   
   N1    C6    gb_17   
   N1    C2    gb_17   
   C6    H6    gb_3    
   C6    C5    gb_16   
   C2    O2    gb_5    
   C2    N3    gb_12   
   N3    C4    gb_12   
   C4    N4    gb_9    
   C4    C5    gb_16   
   N4   H41    gb_2    
   N4   H42    gb_2    
   C5    H5    gb_3    
  C2*   O2*    gb_20   
  C2*   C3*    gb_26   
  O2*   H2*    gb_1    
  C3*   O3*    gb_20   
  O3*    +P    gb_28   
 [ exclusions ]
;  ai    aj
  C1*    H6
  C1*    O2
  C1*    N3
  C1*    C5
   N1    C4
   N1    H5
   C6    O2
   C6    N3
   C6    N4
   H6    C2
   H6    C4
   H6    H5
   C2    N4
   C2    C5
   O2    C4
   N3    H5
   N4    H5
 [ angles ]
;  ai    aj    ak   gromos type
 -O3*     P   O1P     ga_14   
 -O3*     P   O2P     ga_14   
 -O3*     P   O5*     ga_5    
  O1P     P   O2P     ga_29   
  O1P     P   O5*     ga_14   
  O2P     P   O5*     ga_14   
    P   O5*   C5*     ga_26   
  O5*   C5*   C4*     ga_9    
  C5*   C4*   O4*     ga_9    
  C5*   C4*   C3*     ga_8    
  O4*   C4*   C3*     ga_9    
  C4*   O4*   C1*     ga_10   
  O4*   C1*    N1     ga_9    
  O4*   C1*   C2*     ga_9    
   N1   C1*   C2*     ga_8    
  C1*    N1    C6     ga_27   
  C1*    N1    C2     ga_27   
   C6    N1    C2     ga_27   
   N1    C6    H6     ga_25   
   N1    C6    C5     ga_27   
   H6    C6    C5     ga_25   
   N1    C2    O2     ga_27   
   N1    C2    N3     ga_27   
   O2    C2    N3     ga_27   
   C2    N3    C4     ga_27   
   N3    C4    N4     ga_27   
   N3    C4    C5     ga_27   
   N4    C4    C5     ga_27   
   C4    N4   H41     ga_23   
   C4    N4   H42     ga_23   
  H41    N4   H42     ga_24   
   C6    C5    C4     ga_27   
   C6    C5    H5     ga_25   
   C4    C5    H5     ga_25   
  C1*   C2*   O2*     ga_9    
  C1*   C2*   C3*     ga_8    
  O2*   C2*   C3*     ga_9    
  C2*   O2*   H2*     ga_12   
  C4*   C3*   C2*     ga_8    
  C4*   C3*   O3*     ga_9    
  C2*   C3*   O3*     ga_9    
  C3*   O3*    +P     ga_26   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   N1    C6    C2   C1*     gi_1    
   N1    C6    C5    C4     gi_1    
   N1    C2    N3    C4     gi_1    
   C6    N1    C2    N3     gi_1    
   C6    N1    C5    H6     gi_1    
   C2    N1    C6    C5     gi_1    
   C2    N3    C4    C5     gi_1    
   O2    N1    N3    C2     gi_1    
   N3    C4    C5    C6     gi_1    
   N4    N3    C5    C4     gi_1    
   N4   H41   H42    C4     gi_1    
   C5    C6    C4    H5     gi_1    
  C2*   O4*    N1   C1*     gi_2    
  C2*   O2*   C3*   C1*     gi_2    
  C3*   C5*   O4*   C4*     gi_2    
  C3*   C2*   O3*   C4*     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
 -C3*  -O3*     P   O5*     gd_20   
 -C3*  -O3*     P   O5*     gd_27   
 -O3*     P   O5*   C5*     gd_20   
 -O3*     P   O5*   C5*     gd_27   
    P   O5*   C5*   C4*     gd_7    
  O5*   C5*   C4*   O4*     gd_8    
  O5*   C5*   C4*   O4*     gd_25   
  O5*   C5*   C4*   C3*     gd_17   
  O5*   C5*   C4*   C3*     gd_34   
  C3*   C4*   O4*   C1*     gd_29   
  C5*   C4*   C3*   C2*     gd_34   
  C5*   C4*   C3*   O3*     gd_17   
  O4*   C4*   C3*   C2*     gd_17   
  O4*   C4*   C3*   O3*     gd_18   
  C4*   O4*   C1*   C2*     gd_29   
  O4*   C1*    N1    C2     gd_16   
  O4*   C1*   C2*   O2*     gd_18   
  O4*   C1*   C2*   C3*     gd_17   
  O4*   C1*   C2*   C3*     gd_34   
   N1   C1*   C2*   O2*     gd_17   
   N3    C4    N4   H41     gd_14   
  C1*   C2*   O2*   H2*     gd_23   
  C1*   C2*   C3*   C4*     gd_34   
  C1*   C2*   C3*   O3*     gd_17   
  O2*   C2*   C3*   C4*     gd_17   
  O2*   C2*   C3*   O3*     gd_18   
  C4*   C3*   O3*    +P     gd_29   

[ URA ]
 [ atoms ]
    P     P     0.99000     0
  O1P    OM    -0.63500     0
  O2P    OM    -0.63500     0
  O5*    OA    -0.36000     0
  C5*   CH2     0.00000     1
  C4*   CH1     0.16000     2
  O4*    OA    -0.36000     2
  C1*   CH1     0.20000     2
   N1    NR    -0.20000     3
   C6     C     0.10000     3
   H6    HC     0.10000     3
   C2     C     0.45000     4
   O2     O    -0.45000     4
   N3    NR    -0.31000     5
   H3     H     0.31000     5
   C4     C     0.45000     6
   O4     O    -0.45000     6
   C5     C    -0.10000     7
   H5    HC     0.10000     7
  C2*   CH1     0.15000     8
  O2*    OA    -0.54800     8
  H2*     H     0.39800     8
  C3*   CH1       0.000     9
  O3*    OA      -0.360    10
 [ bonds ]
    P   O1P    gb_24   
    P   O2P    gb_24   
    P   O5*    gb_28   
  O5*   C5*    gb_20   
  C5*   C4*    gb_26   
  C4*   O4*    gb_20   
  C4*   C3*    gb_26   
  O4*   C1*    gb_20   
  C1*    N1    gb_23   
  C1*   C2*    gb_26   
   N1    C6    gb_17   
   N1    C2    gb_17   
   C6    H6    gb_3    
   C6    C5    gb_16   
   C2    O2    gb_5    
   C2    N3    gb_17   
   N3    H3    gb_2    
   N3    C4    gb_17   
   C4    O4    gb_5    
   C4    C5    gb_16   
   C5    H5    gb_3    
  C2*   O2*    gb_20   
  C2*   C3*    gb_26   
  O2*   H2*    gb_1    
  C3*   O3*    gb_20   
  O3*    +P    gb_28   
 [ exclusions ]
;  ai    aj
  C1*    H6
  C1*    O2
  C1*    N3
  C1*    C5
   N1    H3
   N1    C4
   N1    H5
   C6    O2
   C6    N3
   C6    O4
   H6    C2
   H6    C4
   H6    H5
   C2    O4
   C2    C5
   O2    H3
   O2    C4
   N3    H5
   H3    O4
   H3    C5
   O4    H5
   H5  -O3*
  O2*   O3*
 [ angles ]
;  ai    aj    ak   gromos type
 -O3*     P   O1P     ga_14   
 -O3*     P   O2P     ga_14   
 -O3*     P   O5*     ga_5    
  O1P     P   O2P     ga_29   
  O1P     P   O5*     ga_14   
  O2P     P   O5*     ga_14   
    P   O5*   C5*     ga_26   
  O5*   C5*   C4*     ga_9    
  C5*   C4*   O4*     ga_9    
  C5*   C4*   C3*     ga_8    
  O4*   C4*   C3*     ga_9    
  C4*   O4*   C1*     ga_10   
  O4*   C1*    N1     ga_9    
  O4*   C1*   C2*     ga_9    
   N1   C1*   C2*     ga_8    
  C1*    N1    C6     ga_27   
  C1*    N1    C2     ga_27   
   C6    N1    C2     ga_27   
   N1    C6    H6     ga_25   
   N1    C6    C5     ga_27   
   H6    C6    C5     ga_25   
   N1    C2    O2     ga_27   
   N1    C2    N3     ga_27   
   O2    C2    N3     ga_27   
   C2    N3    H3     ga_25   
   C2    N3    C4     ga_27   
   H3    N3    C4     ga_25   
   N3    C4    O4     ga_27   
   N3    C4    C5     ga_27   
   O4    C4    C5     ga_27   
   C6    C5    C4     ga_27   
   C6    C5    H5     ga_25   
   C4    C5    H5     ga_25   
  C1*   C2*   O2*     ga_9    
  C1*   C2*   C3*     ga_8    
  O2*   C2*   C3*     ga_9    
  C2*   O2*   H2*     ga_12   
  C4*   C3*   C2*     ga_8    
  C4*   C3*   O3*     ga_9    
  C2*   C3*   O3*     ga_9    
  C3*   O3*    +P     ga_26   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   N1    C6    C2   C1*     gi_1    
   N1    C6    C5    C4     gi_1    
   N1    C2    N3    C4     gi_1    
   C6    N1    C2    N3     gi_1    
   C6    N1    C5    H6     gi_1    
   C2    N1    C6    C5     gi_1    
   C2    N3    C4    C5     gi_1    
   O2    N1    N3    C2     gi_1    
   N3    C4    C5    C6     gi_1    
   H3    C2    C4    N3     gi_1    
   O4    N3    C5    C4     gi_1    
   C5    C6    C4    H5     gi_1    
  C2*   O4*    N1   C1*     gi_2    
  C2*   O2*   C3*   C1*     gi_2    
  C3*   C5*   O4*   C4*     gi_2    
  C3*   C2*   O3*   C4*     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
 -C3*  -O3*     P   O5*     gd_20   
 -C3*  -O3*     P   O5*     gd_27   
 -O3*     P   O5*   C5*     gd_20   
 -O3*     P   O5*   C5*     gd_27   
    P   O5*   C5*   C4*     gd_7    
  O5*   C5*   C4*   O4*     gd_8    
  O5*   C5*   C4*   O4*     gd_25   
  O5*   C5*   C4*   C3*     gd_17   
  O5*   C5*   C4*   C3*     gd_34   
  C3*   C4*   O4*   C1*     gd_29   
  C5*   C4*   C3*   C2*     gd_34   
  C5*   C4*   C3*   O3*     gd_17   
  O4*   C4*   C3*   C2*     gd_17   
  O4*   C4*   C3*   O3*     gd_18   
  C4*   O4*   C1*   C2*     gd_29   
  O4*   C1*    N1    C2     gd_16   
  O4*   C1*   C2*   O2*     gd_18   
  O4*   C1*   C2*   C3*     gd_17   
  O4*   C1*   C2*   C3*     gd_34   
   N1   C1*   C2*   O2*     gd_17   
  C1*   C2*   O2*   H2*     gd_23   
  C1*   C2*   C3*   C4*     gd_34   
  C1*   C2*   C3*   O3*     gd_17   
  O2*   C2*   C3*   C4*     gd_17   
  O2*   C2*   C3*   O3*     gd_18   
  C4*   C3*   O3*    +P     gd_29   

[ FMNO ]
 [ atoms ]
 FC9A     C     0.20000     0
 FN10    NR    -0.20000     0
FC10A     C     0.36000     1
  FN1    NR    -0.36000     1
  FC2     C     0.38000     2
  FO2     O    -0.38000     2
  FN3    NR    -0.28000     3
  FH3     H     0.28000     3
  FC4     C     0.38000     4
  FO4     O    -0.38000     4
 FC4A     C     0.18000     5
  FN5    NR    -0.28000     5
 FC5A     C     0.10000     5
  FC6   CR1     0.00000     6
  FC7     C     0.00000     7
 FCM7   CH3     0.00000     7
  FC8     C     0.00000     8
 FCM8   CH3     0.00000     8
  FC9   CR1     0.00000     9
  FCA   CH2     0.00000    10
  FCB   CH1     0.15000    11
  FOB    OA    -0.54800    11
  FHB     H     0.39800    11
  FCG   CH1     0.15000    12
  FOG    OA    -0.54800    12
  FHG     H     0.39800    12
  FCD   CH1     0.15000    13
  FOD    OA    -0.54800    13
  FHD     H     0.39800    13
  FCE   CH2     0.15000    14
  FOZ    OA    -0.36000    14
  FPH     P     0.63000    14
  FOH    OA    -0.54800    14
  FHH     H     0.39800    14
 FOT1    OM    -0.63500    14
 FOT2    OM    -0.63500    14
 [ bonds ]
 FC9A  FN10    gb_17   
 FC9A  FC5A    gb_16   
 FC9A   FC9    gb_16   
 FN10 FC10A    gb_17   
 FN10   FCA    gb_23   
FC10A   FN1    gb_12   
FC10A  FC4A    gb_16   
  FN1   FC2    gb_12   
  FC2   FO2    gb_5    
  FC2   FN3    gb_17   
  FN3   FH3    gb_2    
  FN3   FC4    gb_17   
  FC4   FO4    gb_5    
  FC4  FC4A    gb_16   
 FC4A   FN5    gb_12   
  FN5  FC5A    gb_12   
 FC5A   FC6    gb_16   
  FC6   FC7    gb_16   
  FC7  FCM7    gb_27   
  FC7   FC8    gb_16   
  FC8  FCM8    gb_27   
  FC8   FC9    gb_16   
  FCA   FCB    gb_27   
  FCB   FOB    gb_18   
  FCB   FCG    gb_27   
  FOB   FHB    gb_1    
  FCG   FOG    gb_18   
  FCG   FCD    gb_27   
  FOG   FHG    gb_1    
  FCD   FOD    gb_18   
  FCD   FCE    gb_27   
  FOD   FHD    gb_1    
  FCE   FOZ    gb_18   
  FOZ   FPH    gb_28   
  FPH   FOH    gb_28   
  FPH  FOT1    gb_24   
  FPH  FOT2    gb_24   
  FOH   FHH    gb_1    
 [ exclusions ]
;  ai    aj
 FC9A   FN1
 FC9A  FC4A
 FC9A   FC7
 FC9A  FCM8
 FN10   FC2
 FN10   FC4
 FN10   FN5
 FN10   FC6
 FN10   FC8
FC10A   FO2
FC10A   FN3
FC10A   FO4
FC10A  FC5A
FC10A   FC9
  FN1   FH3
  FN1   FC4
  FN1   FN5
  FN1   FCA
  FC2   FO4
  FC2  FC4A
  FO2   FH3
  FO2   FC4
  FN3   FN5
  FH3   FO4
  FH3  FC4A
  FC4  FC5A
  FO4   FN5
 FC4A   FC6
 FC4A   FCA
  FN5   FC7
  FN5   FC9
 FC5A  FCM7
 FC5A   FC8
 FC5A   FCA
  FC6  FCM8
  FC6   FC9
 FCM7  FCM8
 FCM7   FC9
  FC9   FCA
  FOZ   FHH
  FHH  FOT1
  FHH  FOT2
 [ angles ]
;  ai    aj    ak   gromos type
 FN10  FC9A  FC5A     ga_27   
 FN10  FC9A   FC9     ga_27   
 FC5A  FC9A   FC9     ga_27   
 FC9A  FN10 FC10A     ga_27   
 FC9A  FN10   FCA     ga_27   
FC10A  FN10   FCA     ga_27   
 FN10 FC10A   FN1     ga_27   
 FN10 FC10A  FC4A     ga_27   
  FN1 FC10A  FC4A     ga_27   
FC10A   FN1   FC2     ga_27   
  FN1   FC2   FO2     ga_27   
  FN1   FC2   FN3     ga_27   
  FO2   FC2   FN3     ga_27   
  FC2   FN3   FH3     ga_25   
  FC2   FN3   FC4     ga_27   
  FH3   FN3   FC4     ga_25   
  FN3   FC4   FO4     ga_27   
  FN3   FC4  FC4A     ga_27   
  FO4   FC4  FC4A     ga_27   
FC10A  FC4A   FC4     ga_27   
FC10A  FC4A   FN5     ga_27   
  FC4  FC4A   FN5     ga_27   
 FC4A   FN5  FC5A     ga_27   
 FC9A  FC5A   FN5     ga_27   
 FC9A  FC5A   FC6     ga_27   
  FN5  FC5A   FC6     ga_27   
 FC5A   FC6   FC7     ga_27   
  FC6   FC7  FCM7     ga_27   
  FC6   FC7   FC8     ga_27   
 FCM7   FC7   FC8     ga_27   
  FC7   FC8  FCM8     ga_27   
  FC7   FC8   FC9     ga_27   
 FCM8   FC8   FC9     ga_27   
 FC9A   FC9   FC8     ga_27   
 FN10   FCA   FCB     ga_15   
  FCA   FCB   FOB     ga_15   
  FCA   FCB   FCG     ga_15   
  FOB   FCB   FCG     ga_13   
  FCB   FOB   FHB     ga_12   
  FCB   FCG   FOG     ga_13   
  FCB   FCG   FCD     ga_15   
  FOG   FCG   FCD     ga_13   
  FCG   FOG   FHG     ga_12   
  FCG   FCD   FOD     ga_13   
  FCG   FCD   FCE     ga_15   
  FOD   FCD   FCE     ga_15   
  FCD   FOD   FHD     ga_12   
  FCD   FCE   FOZ     ga_15   
  FCE   FOZ   FPH     ga_26   
  FOZ   FPH   FOH     ga_5    
  FOZ   FPH  FOT1     ga_14   
  FOZ   FPH  FOT2     ga_14   
  FOH   FPH  FOT1     ga_14   
  FOH   FPH  FOT2     ga_14   
 FOT1   FPH  FOT2     ga_29   
  FPH   FOH   FHH     ga_12   
 [ impropers ]
;  ai    aj    ak    al   gromos type
 FC9A  FN10   FC9  FC5A     gi_1    
 FC9A  FC5A   FC6   FC7     gi_1    
 FN10  FC9A  FC5A   FN5     gi_1    
 FN10 FC10A  FC4A   FN5     gi_1    
FC10A   FN1   FC2   FN3     gi_1    
  FN1 FC10A  FC4A   FC4     gi_1    
  FN1   FC2   FN3   FC4     gi_1    
  FC2   FN1   FN3   FO2     gi_1    
  FC2   FN3   FC4  FC4A     gi_1    
  FN3   FC2   FC4   FH3     gi_1    
  FN3   FC4  FC4A FC10A     gi_1    
  FC4   FN3  FC4A   FO4     gi_1    
 FC4A  FN10   FN1 FC10A     gi_1    
 FC4A FC10A   FN1   FC2     gi_1    
 FC4A   FC4   FN5 FC10A     gi_1    
 FC5A  FC9A   FC9   FC8     gi_1    
 FC5A   FN5   FC6  FC9A     gi_1    
 FC5A   FC6   FC7   FC8     gi_1    
  FC6   FC7   FC8   FC9     gi_1    
  FC7   FC6   FC8  FCM7     gi_1    
  FC7   FC8   FC9  FC9A     gi_1    
  FC8   FC7   FC9  FCM8     gi_1    
  FC9  FC9A  FC5A   FC6     gi_1    
  FCB   FOB   FCG   FCA     gi_2    
  FCG   FOG   FCD   FCB     gi_2    
  FCD   FOD   FCE   FCG     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
 FC5A  FC9A  FN10 FC10A     gd_14   
 FC9A  FN10 FC10A  FC4A     gd_14   
 FC9A  FN10   FCA   FCB     gd_40   
FC10A  FC4A   FN5  FC5A     gd_14   
 FC4A   FN5  FC5A  FC9A     gd_14   
 FN10   FCA   FCB   FCG     gd_34   
  FCA   FCB   FOB   FHB     gd_23   
  FCA   FCB   FCG   FCD     gd_34   
  FCB   FCG   FOG   FHG     gd_23   
  FCB   FCG   FCD   FCE     gd_34   
  FCG   FCD   FOD   FHD     gd_23   
  FCG   FCD   FCE   FOZ     gd_34   
  FCD   FCE   FOZ   FPH     gd_29   
  FCE   FOZ   FPH   FOH     gd_19   
  FCE   FOZ   FPH   FOH     gd_22   
  FOZ   FPH   FOH   FHH     gd_19   
  FOZ   FPH   FOH   FHH     gd_22   

[ FMNS ]
 [ atoms ]
 FC9A     C     0.20000     0
 FN10    NR    -0.20000     0
FC10A     C     0.36000     1
  FN1    NR    -0.36000     1
  FC2     C     0.38000     2
  FO2     O    -0.38000     2
  FN3    NR    -0.28000     3
  FH3     H     0.28000     3
  FC4     C     0.38000     4
  FO4     O    -0.38000     4
 FC4A     C     0.00000     5
  FN5    NR    -0.28000     6
  FH5     H     0.28000     6
 FC5A     C     0.00000     7
  FC6   CR1     0.00000     8
  FC7     C     0.00000     9
 FCM7   CH3     0.00000     9
  FC8     C     0.00000    10
 FCM8   CH3     0.00000    10
  FC9   CR1     0.00000    11
  FCA   CH2     0.00000    12
  FCB   CH1     0.15000    13
  FOB    OA    -0.54800    13
  FHB     H     0.39800    13
  FCG   CH1     0.15000    14
  FOG    OA    -0.54800    14
  FHG     H     0.39800    14
  FCD   CH1     0.15000    15
  FOD    OA    -0.54800    15
  FHD     H     0.39800    15
  FCE   CH2     0.15000    16
  FOZ    OA    -0.36000    16
  FPH     P     0.63000    16
  FOH    OA    -0.54800    16
  FHH     H     0.39800    16
 FOT1    OM    -0.63500    16
 FOT2    OM    -0.63500    16
 [ bonds ]
 FC9A  FN10    gb_17   
 FC9A  FC5A    gb_16   
 FC9A   FC9    gb_16   
 FN10 FC10A    gb_17   
 FN10   FCA    gb_23   
FC10A   FN1    gb_12   
FC10A  FC4A    gb_16   
  FN1   FC2    gb_12   
  FC2   FO2    gb_5    
  FC2   FN3    gb_17   
  FN3   FH3    gb_2    
  FN3   FC4    gb_17   
  FC4   FO4    gb_5    
  FC4  FC4A    gb_16   
 FC4A   FN5    gb_17   
  FN5   FH5    gb_2    
  FN5  FC5A    gb_17   
 FC5A   FC6    gb_16   
  FC6   FC7    gb_16   
  FC7  FCM7    gb_27   
  FC7   FC8    gb_16   
  FC8  FCM8    gb_27   
  FC8   FC9    gb_16   
  FCA   FCB    gb_27   
  FCB   FOB    gb_18   
  FCB   FCG    gb_27   
  FOB   FHB    gb_1    
  FCG   FOG    gb_18   
  FCG   FCD    gb_27   
  FOG   FHG    gb_1    
  FCD   FOD    gb_18   
  FCD   FCE    gb_27   
  FOD   FHD    gb_1    
  FCE   FOZ    gb_18   
  FOZ   FPH    gb_28   
  FPH   FOH    gb_28   
  FPH  FOT1    gb_24   
  FPH  FOT2    gb_24   
  FOH   FHH    gb_1    
 [ exclusions ]
;  ai    aj
 FC9A   FN1
 FC9A  FC4A
 FC9A   FH5
 FC9A   FC7
 FC9A  FCM8
 FN10   FC2
 FN10   FC4
 FN10   FN5
 FN10   FC6
 FN10   FC8
FC10A   FO2
FC10A   FN3
FC10A   FO4
FC10A   FH5
FC10A  FC5A
FC10A   FC9
  FN1   FH3
  FN1   FC4
  FN1   FN5
  FN1   FCA
  FC2   FO4
  FC2  FC4A
  FO2   FH3
  FO2   FC4
  FN3   FN5
  FH3   FO4
  FH3  FC4A
  FC4   FH5
  FC4  FC5A
  FO4   FN5
 FC4A   FC6
 FC4A   FCA
  FN5   FC7
  FN5   FC9
  FH5   FC6
 FC5A  FCM7
 FC5A   FC8
 FC5A   FCA
  FC6  FCM8
  FC6   FC9
 FCM7  FCM8
 FCM7   FC9
  FC9   FCA
  FOZ   FHH
  FHH  FOT1
  FHH  FOT2
 [ angles ]
;  ai    aj    ak   gromos type
 FN10  FC9A  FC5A     ga_27   
 FN10  FC9A   FC9     ga_27   
 FC5A  FC9A   FC9     ga_27   
 FC9A  FN10 FC10A     ga_27   
 FC9A  FN10   FCA     ga_27   
FC10A  FN10   FCA     ga_27   
 FN10 FC10A   FN1     ga_27   
 FN10 FC10A  FC4A     ga_27   
  FN1 FC10A  FC4A     ga_27   
FC10A   FN1   FC2     ga_27   
  FN1   FC2   FO2     ga_27   
  FN1   FC2   FN3     ga_27   
  FO2   FC2   FN3     ga_27   
  FC2   FN3   FH3     ga_25   
  FC2   FN3   FC4     ga_27   
  FH3   FN3   FC4     ga_25   
  FN3   FC4   FO4     ga_27   
  FN3   FC4  FC4A     ga_27   
  FO4   FC4  FC4A     ga_27   
FC10A  FC4A   FC4     ga_27   
FC10A  FC4A   FN5     ga_27   
  FC4  FC4A   FN5     ga_27   
 FC4A   FN5   FH5     ga_25   
 FC4A   FN5  FC5A     ga_27   
  FH5   FN5  FC5A     ga_25   
 FC9A  FC5A   FN5     ga_27   
 FC9A  FC5A   FC6     ga_27   
  FN5  FC5A   FC6     ga_27   
 FC5A   FC6   FC7     ga_27   
  FC6   FC7  FCM7     ga_27   
  FC6   FC7   FC8     ga_27   
 FCM7   FC7   FC8     ga_27   
  FC7   FC8  FCM8     ga_27   
  FC7   FC8   FC9     ga_27   
 FCM8   FC8   FC9     ga_27   
 FC9A   FC9   FC8     ga_27   
 FN10   FCA   FCB     ga_15   
  FCA   FCB   FOB     ga_15   
  FCA   FCB   FCG     ga_15   
  FOB   FCB   FCG     ga_13   
  FCB   FOB   FHB     ga_12   
  FCB   FCG   FOG     ga_13   
  FCB   FCG   FCD     ga_15   
  FOG   FCG   FCD     ga_13   
  FCG   FOG   FHG     ga_12   
  FCG   FCD   FOD     ga_13   
  FCG   FCD   FCE     ga_15   
  FOD   FCD   FCE     ga_15   
  FCD   FOD   FHD     ga_12   
  FCD   FCE   FOZ     ga_15   
  FCE   FOZ   FPH     ga_26   
  FOZ   FPH   FOH     ga_5    
  FOZ   FPH  FOT1     ga_14   
  FOZ   FPH  FOT2     ga_14   
  FOH   FPH  FOT1     ga_14   
  FOH   FPH  FOT2     ga_14   
 FOT1   FPH  FOT2     ga_29   
  FPH   FOH   FHH     ga_12   
 [ impropers ]
;  ai    aj    ak    al   gromos type
 FC9A  FN10   FC9  FC5A     gi_1    
 FC9A  FC5A   FC6   FC7     gi_1    
 FN10  FC9A  FC5A   FN5     gi_1    
 FN10 FC10A  FC4A   FN5     gi_1    
FC10A   FN1   FC2   FN3     gi_1    
  FN1 FC10A  FC4A   FC4     gi_1    
  FN1   FC2   FN3   FC4     gi_1    
  FC2   FN1   FN3   FO2     gi_1    
  FC2   FN3   FC4  FC4A     gi_1    
  FN3   FC2   FC4   FH3     gi_1    
  FN3   FC4  FC4A FC10A     gi_1    
  FC4   FN3  FC4A   FO4     gi_1    
 FC4A  FN10   FN1 FC10A     gi_1    
 FC4A FC10A   FN1   FC2     gi_1    
 FC4A   FC4   FN5 FC10A     gi_1    
 FC5A  FC9A   FC9   FC8     gi_1    
 FC5A   FN5   FC6  FC9A     gi_1    
 FC5A   FC6   FC7   FC8     gi_1    
  FC6   FC7   FC8   FC9     gi_1    
  FC7   FC6   FC8  FCM7     gi_1    
  FC7   FC8   FC9  FC9A     gi_1    
  FC8   FC7   FC9  FCM8     gi_1    
  FC9  FC9A  FC5A   FC6     gi_1    
  FCB   FOB   FCG   FCA     gi_2    
  FCG   FOG   FCD   FCB     gi_2    
  FCD   FOD   FCE   FCG     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
 FC5A  FC9A  FN10 FC10A     gd_14   
 FC9A  FN10 FC10A  FC4A     gd_14   
 FC9A  FN10   FCA   FCB     gd_40   
FC10A  FC4A   FN5  FC5A     gd_14   
 FC4A   FN5  FC5A  FC9A     gd_14   
 FN10   FCA   FCB   FCG     gd_34   
  FCA   FCB   FOB   FHB     gd_23   
  FCA   FCB   FCG   FCD     gd_34   
  FCB   FCG   FOG   FHG     gd_23   
  FCB   FCG   FCD   FCE     gd_34   
  FCG   FCD   FOD   FHD     gd_23   
  FCG   FCD   FCE   FOZ     gd_34   
  FCD   FCE   FOZ   FPH     gd_29   
  FCE   FOZ   FPH   FOH     gd_19   
  FCE   FOZ   FPH   FOH     gd_22   
  FOZ   FPH   FOH   FHH     gd_19   
  FOZ   FPH   FOH   FHH     gd_22   

[ FMNR ]
 [ atoms ]
 FC9A     C     0.10000     0
 FN10    NR    -0.20000     0
FC10A     C     0.10000     0
  FN1    NR    -0.28000     1
  FH1     H     0.28000     1
  FC2     C     0.38000     2
  FO2     O    -0.38000     2
  FN3    NR    -0.28000     3
  FH3     H     0.28000     3
  FC4     C     0.38000     4
  FO4     O    -0.38000     4
 FC4A     C     0.00000     5
  FN5    NR    -0.28000     6
  FH5     H     0.28000     6
 FC5A     C     0.00000     7
  FC6   CR1     0.00000     8
  FC7     C     0.00000     9
 FCM7   CH3     0.00000     9
  FC8     C     0.00000    10
 FCM8   CH3     0.00000    10
  FC9   CR1     0.00000    11
  FCA   CH2     0.00000    12
  FCB   CH1     0.15000    13
  FOB    OA    -0.54800    13
  FHB     H     0.39800    13
  FCG   CH1     0.15000    14
  FOG    OA    -0.54800    14
  FHG     H     0.39800    14
  FCD   CH1     0.15000    15
  FOD    OA    -0.54800    15
  FHD     H     0.39800    15
  FCE   CH2     0.15000    16
  FOZ    OA    -0.36000    16
  FPH     P     0.63000    16
  FOH    OA    -0.54800    16
  FHH     H     0.39800    16
 FOT1    OM    -0.63500    16
 FOT2    OM    -0.63500    16
 [ bonds ]
 FC9A  FN10    gb_17   
 FC9A  FC5A    gb_16   
 FC9A   FC9    gb_16   
 FN10 FC10A    gb_17   
 FN10   FCA    gb_23   
FC10A   FN1    gb_17   
FC10A  FC4A    gb_16   
  FN1   FH1    gb_2    
  FN1   FC2    gb_17   
  FC2   FO2    gb_15   
  FC2   FN3    gb_17   
  FN3   FH3    gb_2    
  FN3   FC4    gb_17   
  FC4   FO4    gb_5    
  FC4  FC4A    gb_16   
 FC4A   FN5    gb_17   
  FN5   FH5    gb_2    
  FN5  FC5A    gb_17   
 FC5A   FC6    gb_16   
  FC6   FC7    gb_16   
  FC7  FCM7    gb_27   
  FC7   FC8    gb_16   
  FC8  FCM8    gb_27   
  FC8   FC9    gb_16   
  FCA   FCB    gb_27   
  FCB   FOB    gb_18   
  FCB   FCG    gb_27   
  FOB   FHB    gb_1    
  FCG   FOG    gb_18   
  FCG   FCD    gb_27   
  FOG   FHG    gb_1    
  FCD   FOD    gb_18   
  FCD   FCE    gb_27   
  FOD   FHD    gb_1    
  FCE   FOZ    gb_18   
  FOZ   FPH    gb_28   
  FPH   FOH    gb_28   
  FPH  FOT1    gb_24   
  FPH  FOT2    gb_24   
  FOH   FHH    gb_1    
 [ exclusions ]
;  ai    aj
 FC9A   FN1
 FC9A  FC4A
 FC9A   FH5
 FC9A   FC7
 FC9A  FCM8
 FN10   FH1
 FN10   FC2
 FN10   FC4
 FN10   FN5
 FN10   FC6
 FN10   FC8
FC10A   FO2
FC10A   FN3
FC10A   FO4
FC10A   FH5
FC10A  FC5A
FC10A   FC9
  FN1   FH3
  FN1   FC4
  FN1   FN5
  FN1   FCA
  FH1   FO2
  FH1   FN3
  FH1  FC4A
  FC2   FO4
  FC2  FC4A
  FO2   FH3
  FO2   FC4
  FN3   FN5
  FH3   FO4
  FH3  FC4A
  FC4   FH5
  FC4  FC5A
  FO4   FN5
 FC4A   FC6
 FC4A   FCA
  FN5   FC7
  FN5   FC9
  FH5   FC6
 FC5A  FCM7
 FC5A   FC8
 FC5A   FCA
  FC6  FCM8
  FC6   FC9
 FCM7  FCM8
 FCM7   FC9
  FC9   FCA
  FOZ   FHH
  FHH  FOT1
  FHH  FOT2
 FOT1    +N
 [ angles ]
;  ai    aj    ak   gromos type
 FN10  FC9A  FC5A     ga_27   
 FN10  FC9A   FC9     ga_27   
 FC5A  FC9A   FC9     ga_27   
 FC9A  FN10 FC10A     ga_27   
 FC9A  FN10   FCA     ga_27   
FC10A  FN10   FCA     ga_27   
 FN10 FC10A   FN1     ga_27   
 FN10 FC10A  FC4A     ga_27   
  FN1 FC10A  FC4A     ga_27   
FC10A   FN1   FH1     ga_25   
FC10A   FN1   FC2     ga_27   
  FH1   FN1   FC2     ga_25   
  FN1   FC2   FO2     ga_27   
  FN1   FC2   FN3     ga_27   
  FO2   FC2   FN3     ga_27   
  FC2   FN3   FH3     ga_25   
  FC2   FN3   FC4     ga_27   
  FH3   FN3   FC4     ga_25   
  FN3   FC4   FO4     ga_27   
  FN3   FC4  FC4A     ga_27   
  FO4   FC4  FC4A     ga_27   
FC10A  FC4A   FC4     ga_27   
FC10A  FC4A   FN5     ga_27   
  FC4  FC4A   FN5     ga_27   
 FC4A   FN5   FH5     ga_25   
 FC4A   FN5  FC5A     ga_27   
  FH5   FN5  FC5A     ga_25   
 FC9A  FC5A   FN5     ga_27   
 FC9A  FC5A   FC6     ga_27   
  FN5  FC5A   FC6     ga_27   
 FC5A   FC6   FC7     ga_27   
  FC6   FC7  FCM7     ga_27   
  FC6   FC7   FC8     ga_27   
 FCM7   FC7   FC8     ga_27   
  FC7   FC8  FCM8     ga_27   
  FC7   FC8   FC9     ga_27   
 FCM8   FC8   FC9     ga_27   
 FC9A   FC9   FC8     ga_27   
 FN10   FCA   FCB     ga_15   
  FCA   FCB   FOB     ga_15   
  FCA   FCB   FCG     ga_15   
  FOB   FCB   FCG     ga_13   
  FCB   FOB   FHB     ga_12   
  FCB   FCG   FOG     ga_13   
  FCB   FCG   FCD     ga_15   
  FOG   FCG   FCD     ga_13   
  FCG   FOG   FHG     ga_12   
  FCG   FCD   FOD     ga_13   
  FCG   FCD   FCE     ga_15   
  FOD   FCD   FCE     ga_15   
  FCD   FOD   FHD     ga_12   
  FCD   FCE   FOZ     ga_15   
  FCE   FOZ   FPH     ga_26   
  FOZ   FPH   FOH     ga_5    
  FOZ   FPH  FOT1     ga_14   
  FOZ   FPH  FOT2     ga_14   
  FOH   FPH  FOT1     ga_14   
  FOH   FPH  FOT2     ga_14   
 FOT1   FPH  FOT2     ga_29   
  FPH   FOH   FHH     ga_12   
 [ impropers ]
;  ai    aj    ak    al   gromos type
 FC9A  FN10   FC9  FC5A     gi_1    
 FC9A  FC5A   FC6   FC7     gi_1    
 FN10  FC9A  FC5A   FN5     gi_1    
 FN10 FC10A  FC4A   FN5     gi_1    
FC10A   FN1   FC2   FN3     gi_1    
  FN1 FC10A   FC2   FH1     gi_1    
  FN1 FC10A  FC4A   FC4     gi_1    
  FN1   FC2   FN3   FC4     gi_1    
  FC2   FN1   FN3   FO2     gi_1    
  FC2   FN3   FC4  FC4A     gi_1    
  FN3   FC2   FC4   FH3     gi_1    
  FN3   FC4  FC4A FC10A     gi_1    
  FC4   FN3  FC4A   FO4     gi_1    
 FC4A  FN10   FN1 FC10A     gi_1    
 FC4A FC10A   FN1   FC2     gi_1    
 FC4A   FC4   FN5 FC10A     gi_1    
 FC5A  FC9A   FC9   FC8     gi_1    
 FC5A   FN5   FC6  FC9A     gi_1    
 FC5A   FC6   FC7   FC8     gi_1    
  FC6   FC7   FC8   FC9     gi_1    
  FC7   FC6   FC8  FCM7     gi_1    
  FC7   FC8   FC9  FC9A     gi_1    
  FC8   FC7   FC9  FCM8     gi_1    
  FC9  FC9A  FC5A   FC6     gi_1    
  FCB   FOB   FCG   FCA     gi_2    
  FCG   FOG   FCD   FCB     gi_2    
  FCD   FOD   FCE   FCG     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
 FC5A  FC9A  FN10 FC10A     gd_14   
 FC9A  FN10 FC10A  FC4A     gd_14   
 FC9A  FN10   FCA   FCB     gd_40   
FC10A  FC4A   FN5  FC5A     gd_14   
 FC4A   FN5  FC5A  FC9A     gd_14   
 FN10   FCA   FCB   FCG     gd_34   
  FCA   FCB   FOB   FHB     gd_23   
  FCA   FCB   FCG   FCD     gd_34   
  FCB   FCG   FOG   FHG     gd_23   
  FCB   FCG   FCD   FCE     gd_34   
  FCG   FCD   FOD   FHD     gd_23   
  FCG   FCD   FCE   FOZ     gd_34   
  FCD   FCE   FOZ   FPH     gd_29   
  FCE   FOZ   FPH   FOH     gd_19   
  FCE   FOZ   FPH   FOH     gd_22   
  FOZ   FPH   FOH   FHH     gd_19   
  FOZ   FPH   FOH   FHH     gd_22   

[ PFN ]
 [ atoms ]
 FC9A     C     0.00000     0
 FC10   CR1     0.00000     0
FC10A     C     0.00000     0
  FC1   CR1     0.00000     1
  FC2   CR1     0.00000     1
  FC3     C     0.00000     2
  FN3    NT    -0.83000     3
 FH31     H     0.41500     3
 FH32     H     0.41500     3
  FC4   CR1     0.00000     4
 FC4A     C     0.15000     5
  FN5    NR     0.28500     5
  FH5     H     0.41500     5
 FC5A     C     0.15000     5
  FC6   CR1     0.00000     6
  FC7     C     0.00000     7
  FN7    NT    -0.83000     8
 FH71     H     0.41500     8
 FH72     H     0.41500     8
  FC8   CR1     0.00000     9
  FC9   CR1     0.00000     9
 [ bonds ]
 FC9A  FC10    gb_16   
 FC9A  FC5A    gb_16   
 FC9A   FC9    gb_16   
 FC10 FC10A    gb_16   
FC10A   FC1    gb_16   
FC10A  FC4A    gb_16   
  FC1   FC2    gb_16   
  FC2   FC3    gb_16   
  FC3   FN3    gb_9    
  FC3   FC4    gb_16   
  FN3  FH31    gb_2    
  FN3  FH32    gb_2    
  FC4  FC4A    gb_16   
 FC4A   FN5    gb_17   
  FN5   FH5    gb_2    
  FN5  FC5A    gb_17   
 FC5A   FC6    gb_16   
  FC6   FC7    gb_16   
  FC7   FN7    gb_9    
  FC7   FC8    gb_16   
  FN7  FH71    gb_2    
  FN7  FH72    gb_2    
  FC8   FC9    gb_16   
 [ exclusions ]
;  ai    aj
 FC9A   FC1
 FC9A  FC4A
 FC9A   FH5
 FC9A   FC7
 FC10   FC2
 FC10   FC4
 FC10   FN5
 FC10   FC6
 FC10   FC8
FC10A   FC3
FC10A   FH5
FC10A  FC5A
FC10A   FC9
  FC1   FN3
  FC1   FC4
  FC1   FN5
  FC2  FC4A
  FC3   FN5
  FN3  FC4A
  FC4   FH5
  FC4  FC5A
 FC4A   FC6
  FN5   FC7
  FN5   FC9
  FH5   FC6
 FC5A   FN7
 FC5A   FC8
  FC6   FC9
  FN7   FC9
 [ angles ]
;  ai    aj    ak   gromos type
 FC10  FC9A  FC5A     ga_27   
 FC10  FC9A   FC9     ga_27   
 FC5A  FC9A   FC9     ga_27   
 FC9A  FC10 FC10A     ga_27   
 FC10 FC10A   FC1     ga_27   
 FC10 FC10A  FC4A     ga_27   
  FC1 FC10A  FC4A     ga_27   
FC10A   FC1   FC2     ga_27   
  FC1   FC2   FC3     ga_27   
  FC2   FC3   FN3     ga_27   
  FC2   FC3   FC4     ga_27   
  FN3   FC3   FC4     ga_27   
  FC3   FN3  FH31     ga_23   
  FC3   FN3  FH32     ga_23   
 FH31   FN3  FH32     ga_24   
  FC3   FC4  FC4A     ga_27   
FC10A  FC4A   FC4     ga_27   
FC10A  FC4A   FN5     ga_27   
  FC4  FC4A   FN5     ga_27   
 FC4A   FN5   FH5     ga_25   
 FC4A   FN5  FC5A     ga_27   
  FH5   FN5  FC5A     ga_25   
 FC9A  FC5A   FN5     ga_27   
 FC9A  FC5A   FC6     ga_27   
  FN5  FC5A   FC6     ga_27   
 FC5A   FC6   FC7     ga_27   
  FC6   FC7   FN7     ga_27   
  FC6   FC7   FC8     ga_27   
  FN7   FC7   FC8     ga_27   
  FC7   FN7  FH71     ga_23   
  FC7   FN7  FH72     ga_23   
 FH71   FN7  FH72     ga_24   
  FC7   FC8   FC9     ga_27   
 FC9A   FC9   FC8     ga_27   
 [ impropers ]
;  ai    aj    ak    al   gromos type
 FC9A  FC10 FC10A  FC4A     gi_1    
 FC9A  FC10   FC9  FC5A     gi_1    
 FC9A  FC5A   FC6   FC7     gi_1    
 FC10  FC9A  FC5A   FN5     gi_1    
 FC10 FC10A  FC4A   FN5     gi_1    
FC10A   FC1   FC2   FC3     gi_1    
FC10A  FC4A   FN5  FC5A     gi_1    
  FC1 FC10A  FC4A   FC4     gi_1    
  FC1   FC2   FC3   FC4     gi_1    
  FC2   FC3   FC4  FC4A     gi_1    
  FC3   FC2   FC4   FN3     gi_1    
  FC3   FC4  FC4A FC10A     gi_1    
  FN3  FH31  FH32   FC3     gi_1    
 FC4A  FC10   FC1 FC10A     gi_1    
 FC4A FC10A   FC1   FC2     gi_1    
 FC4A   FC4   FN5 FC10A     gi_1    
 FC4A   FN5  FC5A  FC9A     gi_1    
  FN5  FC4A  FC5A   FH5     gi_1    
 FC5A  FC9A  FC10 FC10A     gi_1    
 FC5A  FC9A   FC9   FC8     gi_1    
 FC5A   FN5   FC6  FC9A     gi_1    
 FC5A   FC6   FC7   FC8     gi_1    
  FC6   FC7   FC8   FC9     gi_1    
  FC7   FC8   FC9  FC9A     gi_1    
  FN7   FC6   FC8   FC7     gi_1    
  FN7  FH71  FH72   FC7     gi_1    
  FC9  FC9A  FC5A   FC6     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  FC2   FC3   FN3  FH31     gd_14   
  FC8   FC7   FN7  FH71     gd_14   

[ NADP ]
 [ atoms ]
   AP     P     0.76000     0
 AO1P    OM    -0.63500     0
 AO2P    OM    -0.63500     0
 AO5*    OA    -0.36000     0
  O3P    OA    -0.26000     1
   NP     P     0.76000     1
 NO1P    OM    -0.63500     1
 NO2P    OM    -0.63500     1
 NO5*    OA    -0.36000     1
 AC5*   CH2     0.00000     2
 AC4*   CH1     0.16000     3
 AO4*    OA    -0.36000     3
 AC1*   CH1     0.20000     3
  AN9    NR    -0.20000     4
  AC4     C     0.20000     4
  AN3    NR    -0.36000     5
  AC2   CR1     0.36000     5
  AN1    NR    -0.36000     6
  AC6     C     0.36000     6
  AN6    NT    -0.83000     7
 AH61     H     0.41500     7
 AH62     H     0.41500     7
  AC5     C     0.00000     8
  AN7    NR    -0.36000     8
  AC8   CR1     0.36000     8
 AC2*   CH1     0.15000     9
 AO2*    OA    -0.54800     9
 AH2*     H     0.39800     9
 AC3*   CH1     0.15000    10
 AO3*    OA    -0.54800    10
 AH3*     H     0.39800    10
 NC5*   CH2     0.00000    11
 NC4*   CH1     0.16000    12
 NO4*    OA    -0.36000    12
 NC1*   CH1     0.20000    12
  NN1    NR     0.10000    13
  NC6   CR1     0.30000    13
  NC2   CR1     0.25000    13
  NC3     C     0.00000    13
  NC4   CR1     0.25000    13
  NC5   CR1     0.10000    13
  NC7     C     0.38000    14
  NO7     O    -0.38000    14
  NN7    NT    -0.83000    15
 NH71     H     0.41500    15
 NH72     H     0.41500    15
 NC2*   CH1     0.15000    16
 NO2*    OA    -0.54800    16
 NH2*     H     0.39800    16
 NC3*   CH1     0.15000    17
 NO3*    OA    -0.54800    17
 NH3*     H     0.39800    17
 [ bonds ]
   AP  AO1P    gb_24   
   AP  AO2P    gb_24   
   AP  AO5*    gb_28   
   AP   O3P    gb_28   
 AO5*  AC5*    gb_20   
  O3P    NP    gb_28   
   NP  NO1P    gb_24   
   NP  NO2P    gb_24   
   NP  NO5*    gb_28   
 NO5*  NC5*    gb_20   
 AC5*  AC4*    gb_26   
 AC4*  AO4*    gb_20   
 AC4*  AC3*    gb_26   
 AO4*  AC1*    gb_20   
 AC1*   AN9    gb_22   
 AC1*  AC2*    gb_26   
  AN9   AC4    gb_10   
  AN9   AC8    gb_10   
  AC4   AN3    gb_12   
  AC4   AC5    gb_16   
  AN3   AC2    gb_7    
  AC2   AN1    gb_7    
  AN1   AC6    gb_12   
  AC6   AN6    gb_9    
  AC6   AC5    gb_16   
  AN6  AH61    gb_2    
  AN6  AH62    gb_2    
  AC5   AN7    gb_10   
  AN7   AC8    gb_10   
 AC2*  AO2*    gb_20   
 AC2*  AC3*    gb_26   
 AO2*  AH2*    gb_1    
 AC3*  AO3*    gb_20   
 AO3*  AH3*    gb_1    
 NC5*  NC4*    gb_26   
 NC4*  NO4*    gb_20   
 NC4*  NC3*    gb_26   
 NO4*  NC1*    gb_20   
 NC1*   NN1    gb_23   
 NC1*  NC2*    gb_26   
  NN1   NC6    gb_17   
  NN1   NC2    gb_17   
  NC6   NC5    gb_16   
  NC2   NC3    gb_16   
  NC3   NC4    gb_16   
  NC3   NC7    gb_27   
  NC4   NC5    gb_16   
  NC7   NO7    gb_5    
  NC7   NN7    gb_9    
  NN7  NH71    gb_2    
  NN7  NH72    gb_2    
 NC2*  NO2*    gb_20   
 NC2*  NC3*    gb_26   
 NO2*  NH2*    gb_1    
 NC3*  NO3*    gb_20   
 NO3*  NH3*    gb_1    
 [ exclusions ]
;  ai    aj
 AC1*   AN3
 AC1*   AC5
 AC1*   AN7
  AN9   AC2
  AN9   AC6
  AC4   AN1
  AC4   AN6
  AN3   AC6
  AN3   AN7
  AN3   AC8
  AC2   AN6
  AC2   AC5
  AN1   AN7
  AC6   AC8
  AN6   AN7
 NC1*   NC3
 NC1*   NC5
  NN1   NC4
  NN1   NC7
  NC6   NC3
  NC2   NC5
  NC5   NC7
 [ angles ]
;  ai    aj    ak   gromos type
 AO1P    AP  AO2P     ga_29   
 AO1P    AP  AO5*     ga_14   
 AO1P    AP   O3P     ga_14   
 AO2P    AP  AO5*     ga_14   
 AO2P    AP   O3P     ga_14   
 AO5*    AP   O3P     ga_5    
   AP  AO5*  AC5*     ga_26   
   AP   O3P    NP     ga_26   
  O3P    NP  NO1P     ga_14   
  O3P    NP  NO2P     ga_14   
  O3P    NP  NO5*     ga_5    
 NO1P    NP  NO2P     ga_29   
 NO1P    NP  NO5*     ga_14   
 NO2P    NP  NO5*     ga_14   
   NP  NO5*  NC5*     ga_26   
 AO5*  AC5*  AC4*     ga_9    
 AC5*  AC4*  AO4*     ga_9    
 AC5*  AC4*  AC3*     ga_8    
 AO4*  AC4*  AC3*     ga_9    
 AC4*  AO4*  AC1*     ga_10   
 AO4*  AC1*   AN9     ga_9    
 AO4*  AC1*  AC2*     ga_9    
  AN9  AC1*  AC2*     ga_9    
 AC1*   AN9   AC4     ga_37   
 AC1*   AN9   AC8     ga_37   
  AC4   AN9   AC8     ga_7    
  AN9   AC4   AN3     ga_39   
  AN9   AC4   AC5     ga_7    
  AN3   AC4   AC5     ga_27   
  AC4   AN3   AC2     ga_27   
  AN3   AC2   AN1     ga_27   
  AC2   AN1   AC6     ga_27   
  AN1   AC6   AN6     ga_27   
  AN1   AC6   AC5     ga_27   
  AN6   AC6   AC5     ga_27   
  AC6   AN6  AH61     ga_23   
  AC6   AN6  AH62     ga_23   
 AH61   AN6  AH62     ga_24   
  AC4   AC5   AC6     ga_27   
  AC4   AC5   AN7     ga_7    
  AC6   AC5   AN7     ga_39   
  AC5   AN7   AC8     ga_7    
  AN9   AC8   AN7     ga_7    
 AC1*  AC2*  AO2*     ga_9    
 AC1*  AC2*  AC3*     ga_8    
 AO2*  AC2*  AC3*     ga_9    
 AC2*  AO2*  AH2*     ga_12   
 AC4*  AC3*  AC2*     ga_8    
 AC4*  AC3*  AO3*     ga_9    
 AC2*  AC3*  AO3*     ga_9    
 AC3*  AO3*  AH3*     ga_12   
 NO5*  NC5*  NC4*     ga_9    
 NC5*  NC4*  NO4*     ga_9    
 NC5*  NC4*  NC3*     ga_8    
 NO4*  NC4*  NC3*     ga_9    
 NC4*  NO4*  NC1*     ga_10   
 NO4*  NC1*   NN1     ga_9    
 NO4*  NC1*  NC2*     ga_9    
  NN1  NC1*  NC2*     ga_8    
 NC1*   NN1   NC6     ga_27   
 NC1*   NN1   NC2     ga_27   
  NC6   NN1   NC2     ga_27   
  NN1   NC6   NC5     ga_27   
  NN1   NC2   NC3     ga_27   
  NC2   NC3   NC4     ga_27   
  NC2   NC3   NC7     ga_27   
  NC4   NC3   NC7     ga_27   
  NC3   NC4   NC5     ga_27   
  NC6   NC5   NC4     ga_27   
  NC3   NC7   NO7     ga_30   
  NC3   NC7   NN7     ga_19   
  NO7   NC7   NN7     ga_33   
  NC7   NN7  NH71     ga_23   
  NC7   NN7  NH72     ga_23   
 NH71   NN7  NH72     ga_24   
 NC1*  NC2*  NO2*     ga_9    
 NC1*  NC2*  NC3*     ga_8    
 NO2*  NC2*  NC3*     ga_9    
 NC2*  NO2*  NH2*     ga_12   
 NC4*  NC3*  NC2*     ga_8    
 NC4*  NC3*  NO3*     ga_9    
 NC2*  NC3*  NO3*     ga_9    
 NC3*  NO3*  NH3*     ga_12   
 [ impropers ]
;  ai    aj    ak    al   gromos type
 AC1*   AC4   AC8   AN9     gi_1    
  AN9   AC4   AC5   AN7     gi_1    
  AC4   AN9   AN3   AC5     gi_1    
  AC4   AN9   AC8   AN7     gi_1    
  AC4   AN3   AC2   AN1     gi_1    
  AC4   AC5   AN7   AC8     gi_1    
  AN3   AC4   AC5   AC6     gi_1    
  AN3   AC2   AN1   AC6     gi_1    
  AC2   AN1   AC6   AC5     gi_1    
  AN1   AC6   AC5   AC4     gi_1    
  AN6   AN1   AC5   AC6     gi_1    
  AN6  AH61  AH62   AC6     gi_1    
  AC5   AC4   AN3   AC2     gi_1    
  AC5   AC6   AN7   AC4     gi_1    
  AC5   AN7   AC8   AN9     gi_1    
  AC8   AN9   AC4   AC5     gi_1    
 AC2*  AO4*   AN9  AC1*     gi_2    
 AC2*  AO2*  AC3*  AC1*     gi_2    
 AC3*  AC5*  AO4*  AC4*     gi_2    
 AC3*  AC2*  AO3*  AC4*     gi_2    
  NN1   NC6   NC2  NC1*     gi_1    
  NN1   NC6   NC5   NC4     gi_1    
  NN1   NC2   NC3   NC4     gi_1    
  NC6   NN1   NC2   NC3     gi_1    
  NC2   NN1   NC6   NC5     gi_1    
  NC2   NC3   NC4   NC5     gi_1    
  NC3   NC4   NC5   NC6     gi_1    
  NC7   NC2   NC4   NC3     gi_1    
  NC7   NO7   NN7   NC3     gi_1    
  NN7  NH71  NH72   NC7     gi_1    
 NC2*  NO4*   NN1  NC1*     gi_2    
 NC2*  NO2*  NC3*  NC1*     gi_2    
 NC3*  NC5*  NO4*  NC4*     gi_2    
 NC3*  NC2*  NO3*  NC4*     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  O3P    AP  AO5*  AC5*     gd_19   
  O3P    AP  AO5*  AC5*     gd_22   
 AO5*    AP   O3P    NP     gd_19   
 AO5*    AP   O3P    NP     gd_22   
   AP  AO5*  AC5*  AC4*     gd_29   
   AP   O3P    NP  NO5*     gd_19   
   AP   O3P    NP  NO5*     gd_22   
  O3P    NP  NO5*  NC5*     gd_19   
  O3P    NP  NO5*  NC5*     gd_22   
   NP  NO5*  NC5*  NC4*     gd_29   
 AO5*  AC5*  AC4*  AO4*     gd_18   
 AO5*  AC5*  AC4*  AC3*     gd_17   
 AO5*  AC5*  AC4*  AC3*     gd_34   
 AC3*  AC4*  AO4*  AC1*     gd_29   
 AC5*  AC4*  AC3*  AC2*     gd_34   
 AC5*  AC4*  AC3*  AO3*     gd_17   
 AO4*  AC4*  AC3*  AC2*     gd_17   
 AO4*  AC4*  AC3*  AO3*     gd_18   
 AC4*  AO4*  AC1*  AC2*     gd_29   
 AO4*  AC1*   AN9   AC4     gd_16   
 AO4*  AC1*  AC2*  AO2*     gd_18   
 AO4*  AC1*  AC2*  AC3*     gd_17   
 AO4*  AC1*  AC2*  AC3*     gd_34   
  AN9  AC1*  AC2*  AO2*     gd_17   
  AC5   AC6   AN6  AH61     gd_14   
 AC1*  AC2*  AO2*  AH2*     gd_23   
 AC1*  AC2*  AC3*  AC4*     gd_34   
 AC1*  AC2*  AC3*  AO3*     gd_17   
 AO2*  AC2*  AC3*  AC4*     gd_17   
 AO2*  AC2*  AC3*  AO3*     gd_18   
 AC4*  AC3*  AO3*  AH3*     gd_23   
 NO5*  NC5*  NC4*  NO4*     gd_18   
 NO5*  NC5*  NC4*  NC3*     gd_17   
 NO5*  NC5*  NC4*  NC3*     gd_34   
 NC3*  NC4*  NO4*  NC1*     gd_29   
 NC5*  NC4*  NC3*  NC2*     gd_34   
 NC5*  NC4*  NC3*  NO3*     gd_17   
 NO4*  NC4*  NC3*  NC2*     gd_17   
 NO4*  NC4*  NC3*  NO3*     gd_18   
 NC4*  NO4*  NC1*  NC2*     gd_29   
 NO4*  NC1*   NN1   NC2     gd_16   
 NO4*  NC1*  NC2*  NO2*     gd_18   
 NO4*  NC1*  NC2*  NC3*     gd_17   
 NO4*  NC1*  NC2*  NC3*     gd_34   
  NN1  NC1*  NC2*  NO2*     gd_17   
  NC2   NC3   NC7   NN7     gd_10   
  NC3   NC7   NN7  NH71     gd_14   
 NC1*  NC2*  NO2*  NH2*     gd_23   
 NC1*  NC2*  NC3*  NC4*     gd_34   
 NC1*  NC2*  NC3*  NO3*     gd_17   
 NO2*  NC2*  NC3*  NC4*     gd_17   
 NO2*  NC2*  NC3*  NO3*     gd_18   
 NC4*  NC3*  NO3*  NH3*     gd_23   

[ NADH ]
 [ atoms ]
   AP     P     0.76000     0
 AO1P    OM    -0.63500     0
 AO2P    OM    -0.63500     0
 AO5*    OA    -0.36000     0
  O3P    OA    -0.26000     1
   NP     P     0.76000     1
 NO1P    OM    -0.63500     1
 NO2P    OM    -0.63500     1
 NO5*    OA    -0.36000     1
 AC5*   CH2     0.00000     2
 AC4*   CH1     0.16000     3
 AO4*    OA    -0.36000     3
 AC1*   CH1     0.20000     3
  AN9    NR    -0.20000     4
  AC4     C     0.20000     4
  AN3    NR    -0.36000     5
  AC2   CR1     0.36000     5
  AN1    NR    -0.36000     6
  AC6     C     0.36000     6
  AN6    NT    -0.83000     7
 AH61     H     0.41500     7
 AH62     H     0.41500     7
  AC5     C     0.00000     8
  AN7    NR    -0.36000     8
  AC8   CR1     0.36000     8
 AC2*   CH1     0.15000     9
 AO2*    OA    -0.54800     9
 AH2*     H     0.39800     9
 AC3*   CH1     0.15000    10
 AO3*    OA    -0.54800    10
 AH3*     H     0.39800    10
 NC5*   CH2     0.00000    11
 NC4*   CH1     0.16000    12
 NO4*    OA    -0.36000    12
 NC1*   CH1     0.20000    12
  NN1    NR    -0.20000    13
  NC6   CR1     0.20000    13
  NC2   CR1     0.00000    13
  NC3     C     0.00000    13
  NC4   CH2     0.00000    13
  NC5   CR1     0.00000    13
  NC7     C     0.38000    14
  NO7     O    -0.38000    14
  NN7    NT    -0.83000    15
 NH71     H     0.41500    15
 NH72     H     0.41500    15
 NC2*   CH1     0.15000    16
 NO2*    OA    -0.54800    16
 NH2*     H     0.39800    16
 NC3*   CH1     0.15000    17
 NO3*    OA    -0.54800    17
 NH3*     H     0.39800    17
 [ bonds ]
   AP  AO1P    gb_24   
   AP  AO2P    gb_24   
   AP  AO5*    gb_28   
   AP   O3P    gb_28   
 AO5*  AC5*    gb_20   
  O3P    NP    gb_28   
   NP  NO1P    gb_24   
   NP  NO2P    gb_24   
   NP  NO5*    gb_28   
 NO5*  NC5*    gb_20   
 AC5*  AC4*    gb_26   
 AC4*  AO4*    gb_20   
 AC4*  AC3*    gb_26   
 AO4*  AC1*    gb_20   
 AC1*   AN9    gb_22   
 AC1*  AC2*    gb_26   
  AN9   AC4    gb_10   
  AN9   AC8    gb_10   
  AC4   AN3    gb_12   
  AC4   AC5    gb_16   
  AN3   AC2    gb_7    
  AC2   AN1    gb_7    
  AN1   AC6    gb_12   
  AC6   AN6    gb_9    
  AC6   AC5    gb_16   
  AN6  AH61    gb_2    
  AN6  AH62    gb_2    
  AC5   AN7    gb_10   
  AN7   AC8    gb_10   
 AC2*  AO2*    gb_20   
 AC2*  AC3*    gb_26   
 AO2*  AH2*    gb_1    
 AC3*  AO3*    gb_20   
 AO3*  AH3*    gb_1    
 NC5*  NC4*    gb_26   
 NC4*  NO4*    gb_20   
 NC4*  NC3*    gb_26   
 NO4*  NC1*    gb_20   
 NC1*   NN1    gb_23   
 NC1*  NC2*    gb_26   
  NN1   NC6    gb_17   
  NN1   NC2    gb_17   
  NC6   NC5    gb_16   
  NC2   NC3    gb_16   
  NC3   NC4    gb_15   
  NC3   NC7    gb_27   
  NC4   NC5    gb_15   
  NC7   NO7    gb_5    
  NC7   NN7    gb_9    
  NN7  NH71    gb_2    
  NN7  NH72    gb_2    
 NC2*  NO2*    gb_20   
 NC2*  NC3*    gb_26   
 NO2*  NH2*    gb_1    
 NC3*  NO3*    gb_20   
 NO3*  NH3*    gb_1    
 [ exclusions ]
;  ai    aj
 AC1*   AN3
 AC1*   AC5
 AC1*   AN7
  AN9   AC2
  AN9   AC6
  AC4   AN1
  AC4   AN6
  AN3   AC6
  AN3   AN7
  AN3   AC8
  AC2   AN6
  AC2   AC5
  AN1   AN7
  AC6   AC8
  AN6   AN7
 NC1*   NC3
 NC1*   NC5
  NN1   NC4
  NN1   NC7
  NC6   NC3
  NC2   NC5
  NC5   NC7
 [ angles ]
;  ai    aj    ak   gromos type
 AO1P    AP  AO2P     ga_29   
 AO1P    AP  AO5*     ga_14   
 AO1P    AP   O3P     ga_14   
 AO2P    AP  AO5*     ga_14   
 AO2P    AP   O3P     ga_14   
 AO5*    AP   O3P     ga_5    
   AP  AO5*  AC5*     ga_26   
   AP   O3P    NP     ga_26   
  O3P    NP  NO1P     ga_14   
  O3P    NP  NO2P     ga_14   
  O3P    NP  NO5*     ga_5    
 NO1P    NP  NO2P     ga_29   
 NO1P    NP  NO5*     ga_14   
 NO2P    NP  NO5*     ga_14   
   NP  NO5*  NC5*     ga_26   
 AO5*  AC5*  AC4*     ga_9    
 AC5*  AC4*  AO4*     ga_9    
 AC5*  AC4*  AC3*     ga_8    
 AO4*  AC4*  AC3*     ga_9    
 AC4*  AO4*  AC1*     ga_10   
 AO4*  AC1*   AN9     ga_9    
 AO4*  AC1*  AC2*     ga_9    
  AN9  AC1*  AC2*     ga_9    
 AC1*   AN9   AC4     ga_37   
 AC1*   AN9   AC8     ga_37   
  AC4   AN9   AC8     ga_7    
  AN9   AC4   AN3     ga_39   
  AN9   AC4   AC5     ga_7    
  AN3   AC4   AC5     ga_27   
  AC4   AN3   AC2     ga_27   
  AN3   AC2   AN1     ga_27   
  AC2   AN1   AC6     ga_27   
  AN1   AC6   AN6     ga_27   
  AN1   AC6   AC5     ga_27   
  AN6   AC6   AC5     ga_27   
  AC6   AN6  AH61     ga_23   
  AC6   AN6  AH62     ga_23   
 AH61   AN6  AH62     ga_24   
  AC4   AC5   AC6     ga_27   
  AC4   AC5   AN7     ga_7    
  AC6   AC5   AN7     ga_39   
  AC5   AN7   AC8     ga_7    
  AN9   AC8   AN7     ga_7    
 AC1*  AC2*  AO2*     ga_9    
 AC1*  AC2*  AC3*     ga_8    
 AO2*  AC2*  AC3*     ga_9    
 AC2*  AO2*  AH2*     ga_12   
 AC4*  AC3*  AC2*     ga_8    
 AC4*  AC3*  AO3*     ga_9    
 AC2*  AC3*  AO3*     ga_9    
 AC3*  AO3*  AH3*     ga_12   
 NO5*  NC5*  NC4*     ga_9    
 NC5*  NC4*  NO4*     ga_9    
 NC5*  NC4*  NC3*     ga_8    
 NO4*  NC4*  NC3*     ga_9    
 NC4*  NO4*  NC1*     ga_10   
 NO4*  NC1*   NN1     ga_9    
 NO4*  NC1*  NC2*     ga_9    
  NN1  NC1*  NC2*     ga_8    
 NC1*   NN1   NC6     ga_27   
 NC1*   NN1   NC2     ga_27   
  NC6   NN1   NC2     ga_27   
  NN1   NC6   NC5     ga_27   
  NN1   NC2   NC3     ga_27   
  NC2   NC3   NC4     ga_27   
  NC2   NC3   NC7     ga_27   
  NC4   NC3   NC7     ga_27   
  NC3   NC4   NC5     ga_27   
  NC6   NC5   NC4     ga_27   
  NC3   NC7   NO7     ga_30   
  NC3   NC7   NN7     ga_19   
  NO7   NC7   NN7     ga_33   
  NC7   NN7  NH71     ga_23   
  NC7   NN7  NH72     ga_23   
 NH71   NN7  NH72     ga_24   
 NC1*  NC2*  NO2*     ga_9    
 NC1*  NC2*  NC3*     ga_8    
 NO2*  NC2*  NC3*     ga_9    
 NC2*  NO2*  NH2*     ga_12   
 NC4*  NC3*  NC2*     ga_8    
 NC4*  NC3*  NO3*     ga_9    
 NC2*  NC3*  NO3*     ga_9    
 NC3*  NO3*  NH3*     ga_12   
 [ impropers ]
;  ai    aj    ak    al   gromos type
 AC1*   AC4   AC8   AN9     gi_1    
  AN9   AC4   AC5   AN7     gi_1    
  AC4   AN9   AN3   AC5     gi_1    
  AC4   AN9   AC8   AN7     gi_1    
  AC4   AN3   AC2   AN1     gi_1    
  AC4   AC5   AN7   AC8     gi_1    
  AN3   AC4   AC5   AC6     gi_1    
  AN3   AC2   AN1   AC6     gi_1    
  AC2   AN1   AC6   AC5     gi_1    
  AN1   AC6   AC5   AC4     gi_1    
  AN6   AN1   AC5   AC6     gi_1    
  AN6  AH61  AH62   AC6     gi_1    
  AC5   AC4   AN3   AC2     gi_1    
  AC5   AC6   AN7   AC4     gi_1    
  AC5   AN7   AC8   AN9     gi_1    
  AC8   AN9   AC4   AC5     gi_1    
 AC2*  AO4*   AN9  AC1*     gi_2    
 AC2*  AO2*  AC3*  AC1*     gi_2    
 AC3*  AC5*  AO4*  AC4*     gi_2    
 AC3*  AC2*  AO3*  AC4*     gi_2    
  NN1   NC6   NC2  NC1*     gi_1    
  NN1   NC6   NC5   NC4     gi_1    
  NN1   NC2   NC3   NC4     gi_1    
  NC6   NN1   NC2   NC3     gi_1    
  NC2   NN1   NC6   NC5     gi_1    
  NC2   NC3   NC4   NC5     gi_1    
  NC3   NC4   NC5   NC6     gi_1    
  NC7   NC2   NC4   NC3     gi_1    
  NC7   NO7   NN7   NC3     gi_1    
  NN7  NH71  NH72   NC7     gi_1    
 NC2*  NO4*   NN1  NC1*     gi_2    
 NC2*  NO2*  NC3*  NC1*     gi_2    
 NC3*  NC5*  NO4*  NC4*     gi_2    
 NC3*  NC2*  NO3*  NC4*     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  O3P    AP  AO5*  AC5*     gd_19   
  O3P    AP  AO5*  AC5*     gd_22   
 AO5*    AP   O3P    NP     gd_19   
 AO5*    AP   O3P    NP     gd_22   
   AP  AO5*  AC5*  AC4*     gd_29   
   AP   O3P    NP  NO5*     gd_19   
   AP   O3P    NP  NO5*     gd_22   
  O3P    NP  NO5*  NC5*     gd_19   
  O3P    NP  NO5*  NC5*     gd_22   
   NP  NO5*  NC5*  NC4*     gd_29   
 AO5*  AC5*  AC4*  AO4*     gd_18   
 AO5*  AC5*  AC4*  AC3*     gd_17   
 AO5*  AC5*  AC4*  AC3*     gd_34   
 AC3*  AC4*  AO4*  AC1*     gd_29   
 AC5*  AC4*  AC3*  AC2*     gd_34   
 AC5*  AC4*  AC3*  AO3*     gd_17   
 AO4*  AC4*  AC3*  AC2*     gd_17   
 AO4*  AC4*  AC3*  AO3*     gd_18   
 AC4*  AO4*  AC1*  AC2*     gd_29   
 AO4*  AC1*   AN9   AC4     gd_16   
 AO4*  AC1*  AC2*  AO2*     gd_18   
 AO4*  AC1*  AC2*  AC3*     gd_17   
 AO4*  AC1*  AC2*  AC3*     gd_34   
  AN9  AC1*  AC2*  AO2*     gd_17   
  AC5   AC6   AN6  AH61     gd_14   
 AC1*  AC2*  AO2*  AH2*     gd_23   
 AC1*  AC2*  AC3*  AC4*     gd_34   
 AC1*  AC2*  AC3*  AO3*     gd_17   
 AO2*  AC2*  AC3*  AC4*     gd_17   
 AO2*  AC2*  AC3*  AO3*     gd_18   
 AC4*  AC3*  AO3*  AH3*     gd_23   
 NO5*  NC5*  NC4*  NO4*     gd_18   
 NO5*  NC5*  NC4*  NC3*     gd_17   
 NO5*  NC5*  NC4*  NC3*     gd_34   
 NC3*  NC4*  NO4*  NC1*     gd_29   
 NC5*  NC4*  NC3*  NC2*     gd_34   
 NC5*  NC4*  NC3*  NO3*     gd_17   
 NO4*  NC4*  NC3*  NC2*     gd_17   
 NO4*  NC4*  NC3*  NO3*     gd_18   
 NC4*  NO4*  NC1*  NC2*     gd_29   
 NO4*  NC1*   NN1   NC2     gd_16   
 NO4*  NC1*  NC2*  NO2*     gd_18   
 NO4*  NC1*  NC2*  NC3*     gd_17   
 NO4*  NC1*  NC2*  NC3*     gd_34   
  NN1  NC1*  NC2*  NO2*     gd_17   
  NC2   NC3   NC7   NN7     gd_10   
  NC3   NC7   NN7  NH71     gd_14   
 NC1*  NC2*  NO2*  NH2*     gd_23   
 NC1*  NC2*  NC3*  NC4*     gd_34   
 NC1*  NC2*  NC3*  NO3*     gd_17   
 NO2*  NC2*  NC3*  NC4*     gd_17   
 NO2*  NC2*  NC3*  NO3*     gd_18   
 NC4*  NC3*  NO3*  NH3*     gd_23   

[ NDPH ]
 [ atoms ]
   AP     P     0.76000     0
 AO1P    OM    -0.63500     0
 AO2P    OM    -0.63500     0
 AO5*    OA    -0.36000     0
  O3P    OA    -0.26000     1
   NP     P     0.76000     1
 NO1P    OM    -0.63500     1
 NO2P    OM    -0.63500     1
 NO5*    OA    -0.36000     1
 AC5*   CH2     0.00000     2
 AC4*   CH1     0.16000     3
 AO4*    OA    -0.36000     3
 AC1*   CH1     0.20000     3
  AN9    NR    -0.20000     4
  AC4     C     0.20000     4
  AN3    NR    -0.36000     5
  AC2   CR1     0.36000     5
  AN1    NR    -0.36000     6
  AC6     C     0.36000     6
  AN6    NT    -0.83000     7
 AH61     H     0.41500     7
 AH62     H     0.41500     7
  AC5     C     0.00000     8
  AN7    NR    -0.36000     8
  AC8   CR1     0.36000     8
 AC2*   CH1     0.15000     9
 AO2*    OA    -0.36000     9
 AP2*     P     0.63000     9
 AO6*    OM    -0.63500     9
 AO7*    OM    -0.63500     9
 AO8*    OA    -0.54800     9
 AH8*     H     0.39800     9
 AC3*   CH1     0.15000    10
 AO3*    OA    -0.54800    10
 AH3*     H     0.39800    10
 NC5*   CH2     0.00000    11
 NC4*   CH1     0.16000    12
 NO4*    OA    -0.36000    12
 NC1*   CH1     0.20000    12
  NN1    NR    -0.20000    13
  NC6   CR1     0.20000    13
  NC2   CR1     0.00000    13
  NC3     C     0.00000    13
  NC4   CH2     0.00000    13
  NC5   CR1     0.00000    13
  NC7     C     0.38000    14
  NO7     O    -0.38000    14
  NN7    NT    -0.83000    15
 NH71     H     0.41500    15
 NH72     H     0.41500    15
 NC2*   CH1     0.15000    16
 NO2*    OA    -0.54800    16
 NH2*     H     0.39800    16
 NC3*   CH1     0.15000    17
 NO3*    OA    -0.54800    17
 NH3*     H     0.39800    17
 [ bonds ]
   AP  AO1P    gb_24   
   AP  AO2P    gb_24   
   AP  AO5*    gb_28   
   AP   O3P    gb_28   
 AO5*  AC5*    gb_20   
  O3P    NP    gb_28   
   NP  NO1P    gb_24   
   NP  NO2P    gb_24   
   NP  NO5*    gb_28   
 NO5*  NC5*    gb_20   
 AC5*  AC4*    gb_26   
 AC4*  AO4*    gb_20   
 AC4*  AC3*    gb_26   
 AO4*  AC1*    gb_20   
 AC1*   AN9    gb_22   
 AC1*  AC2*    gb_26   
  AN9   AC4    gb_10   
  AN9   AC8    gb_10   
  AC4   AN3    gb_12   
  AC4   AC5    gb_16   
  AN3   AC2    gb_7    
  AC2   AN1    gb_7    
  AN1   AC6    gb_12   
  AC6   AN6    gb_9    
  AC6   AC5    gb_16   
  AN6  AH61    gb_2    
  AN6  AH62    gb_2    
  AC5   AN7    gb_10   
  AN7   AC8    gb_10   
 AC2*  AO2*    gb_20   
 AC2*  AC3*    gb_26   
 AO2*  AP2*    gb_28   
 AP2*  AO6*    gb_24   
 AP2*  AO7*    gb_24   
 AP2*  AO8*    gb_28   
 AO8*  AH8*    gb_1    
 AC3*  AO3*    gb_20   
 AO3*  AH3*    gb_1    
 NC5*  NC4*    gb_26   
 NC4*  NO4*    gb_20   
 NC4*  NC3*    gb_26   
 NO4*  NC1*    gb_20   
 NC1*   NN1    gb_23   
 NC1*  NC2*    gb_26   
  NN1   NC6    gb_17   
  NN1   NC2    gb_17   
  NC6   NC5    gb_16   
  NC2   NC3    gb_16   
  NC3   NC4    gb_15   
  NC3   NC7    gb_27   
  NC4   NC5    gb_15   
  NC7   NO7    gb_5    
  NC7   NN7    gb_9    
  NN7  NH71    gb_2    
  NN7  NH72    gb_2    
 NC2*  NO2*    gb_20   
 NC2*  NC3*    gb_26   
 NO2*  NH2*    gb_1    
 NC3*  NO3*    gb_20   
 NO3*  NH3*    gb_1    
 [ exclusions ]
;  ai    aj
 AC1*   AN3
 AC1*   AC5
 AC1*   AN7
  AN9   AC2
  AN9   AC6
  AC4   AN1
  AC4   AN6
  AN3   AC6
  AN3   AN7
  AN3   AC8
  AC2   AN6
  AC2   AC5
  AN1   AN7
  AC6   AC8
  AN6   AN7
 AO2*  AH8*
 AO6*  AH8*
 AO7*  AH8*
 NC1*   NC3
 NC1*   NC5
  NN1   NC4
  NN1   NC7
  NC6   NC3
  NC2   NC5
  NC5   NC7
 [ angles ]
;  ai    aj    ak   gromos type
 AO1P    AP  AO2P     ga_29   
 AO1P    AP  AO5*     ga_14   
 AO1P    AP   O3P     ga_14   
 AO2P    AP  AO5*     ga_14   
 AO2P    AP   O3P     ga_14   
 AO5*    AP   O3P     ga_5    
   AP  AO5*  AC5*     ga_26   
   AP   O3P    NP     ga_26   
  O3P    NP  NO1P     ga_14   
  O3P    NP  NO2P     ga_14   
  O3P    NP  NO5*     ga_5    
 NO1P    NP  NO2P     ga_29   
 NO1P    NP  NO5*     ga_14   
 NO2P    NP  NO5*     ga_14   
   NP  NO5*  NC5*     ga_26   
 AO5*  AC5*  AC4*     ga_9    
 AC5*  AC4*  AO4*     ga_9    
 AC5*  AC4*  AC3*     ga_8    
 AO4*  AC4*  AC3*     ga_9    
 AC4*  AO4*  AC1*     ga_10   
 AO4*  AC1*   AN9     ga_9    
 AO4*  AC1*  AC2*     ga_9    
  AN9  AC1*  AC2*     ga_9    
 AC1*   AN9   AC4     ga_37   
 AC1*   AN9   AC8     ga_37   
  AC4   AN9   AC8     ga_7    
  AN9   AC4   AN3     ga_39   
  AN9   AC4   AC5     ga_7    
  AN3   AC4   AC5     ga_27   
  AC4   AN3   AC2     ga_27   
  AN3   AC2   AN1     ga_27   
  AC2   AN1   AC6     ga_27   
  AN1   AC6   AN6     ga_27   
  AN1   AC6   AC5     ga_27   
  AN6   AC6   AC5     ga_27   
  AC6   AN6  AH61     ga_23   
  AC6   AN6  AH62     ga_23   
 AH61   AN6  AH62     ga_24   
  AC4   AC5   AC6     ga_27   
  AC4   AC5   AN7     ga_7    
  AC6   AC5   AN7     ga_39   
  AC5   AN7   AC8     ga_7    
  AN9   AC8   AN7     ga_7    
 AC1*  AC2*  AO2*     ga_9    
 AC1*  AC2*  AC3*     ga_8    
 AO2*  AC2*  AC3*     ga_9    
 AC2*  AO2*  AP2*     ga_26   
 AO2*  AP2*  AO6*     ga_14   
 AO2*  AP2*  AO7*     ga_14   
 AO2*  AP2*  AO8*     ga_5    
 AO6*  AP2*  AO7*     ga_29   
 AO6*  AP2*  AO8*     ga_14   
 AO7*  AP2*  AO8*     ga_14   
 AP2*  AO8*  AH8*     ga_12   
 AC4*  AC3*  AC2*     ga_8    
 AC4*  AC3*  AO3*     ga_9    
 AC2*  AC3*  AO3*     ga_9    
 AC3*  AO3*  AH3*     ga_12   
 NO5*  NC5*  NC4*     ga_9    
 NC5*  NC4*  NO4*     ga_9    
 NC5*  NC4*  NC3*     ga_8    
 NO4*  NC4*  NC3*     ga_9    
 NC4*  NO4*  NC1*     ga_10   
 NO4*  NC1*   NN1     ga_9    
 NO4*  NC1*  NC2*     ga_9    
  NN1  NC1*  NC2*     ga_8    
 NC1*   NN1   NC6     ga_27   
 NC1*   NN1   NC2     ga_27   
  NC6   NN1   NC2     ga_27   
  NN1   NC6   NC5     ga_27   
  NN1   NC2   NC3     ga_27   
  NC2   NC3   NC4     ga_27   
  NC2   NC3   NC7     ga_27   
  NC4   NC3   NC7     ga_27   
  NC3   NC4   NC5     ga_27   
  NC6   NC5   NC4     ga_27   
  NC3   NC7   NO7     ga_30   
  NC3   NC7   NN7     ga_19   
  NO7   NC7   NN7     ga_33   
  NC7   NN7  NH71     ga_23   
  NC7   NN7  NH72     ga_23   
 NH71   NN7  NH72     ga_24   
 NC1*  NC2*  NO2*     ga_9    
 NC1*  NC2*  NC3*     ga_8    
 NO2*  NC2*  NC3*     ga_9    
 NC2*  NO2*  NH2*     ga_12   
 NC4*  NC3*  NC2*     ga_8    
 NC4*  NC3*  NO3*     ga_9    
 NC2*  NC3*  NO3*     ga_9    
 NC3*  NO3*  NH3*     ga_12   
 [ impropers ]
;  ai    aj    ak    al   gromos type
 AC1*   AC4   AC8   AN9     gi_1    
  AN9   AC4   AC5   AN7     gi_1    
  AC4   AN9   AN3   AC5     gi_1    
  AC4   AN9   AC8   AN7     gi_1    
  AC4   AN3   AC2   AN1     gi_1    
  AC4   AC5   AN7   AC8     gi_1    
  AN3   AC4   AC5   AC6     gi_1    
  AN3   AC2   AN1   AC6     gi_1    
  AC2   AN1   AC6   AC5     gi_1    
  AN1   AC6   AC5   AC4     gi_1    
  AN6   AN1   AC5   AC6     gi_1    
  AN6  AH61  AH62   AC6     gi_1    
  AC5   AC4   AN3   AC2     gi_1    
  AC5   AC6   AN7   AC4     gi_1    
  AC5   AN7   AC8   AN9     gi_1    
  AC8   AN9   AC4   AC5     gi_1    
 AC2*  AO4*   AN9  AC1*     gi_2    
 AC2*  AO2*  AC3*  AC1*     gi_2    
 AC3*  AC5*  AO4*  AC4*     gi_2    
 AC3*  AC2*  AO3*  AC4*     gi_2    
  NN1   NC6   NC2  NC1*     gi_1    
  NN1   NC6   NC5   NC4     gi_1    
  NN1   NC2   NC3   NC4     gi_1    
  NC6   NN1   NC2   NC3     gi_1    
  NC2   NN1   NC6   NC5     gi_1    
  NC2   NC3   NC4   NC5     gi_1    
  NC3   NC4   NC5   NC6     gi_1    
  NC7   NC2   NC4   NC3     gi_1    
  NC7   NO7   NN7   NC3     gi_1    
  NN7  NH71  NH72   NC7     gi_1    
 NC2*  NO4*   NN1  NC1*     gi_2    
 NC2*  NO2*  NC3*  NC1*     gi_2    
 NC3*  NC5*  NO4*  NC4*     gi_2    
 NC3*  NC2*  NO3*  NC4*     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  O3P    AP  AO5*  AC5*     gd_19   
  O3P    AP  AO5*  AC5*     gd_22   
 AO5*    AP   O3P    NP     gd_19   
 AO5*    AP   O3P    NP     gd_22   
   AP  AO5*  AC5*  AC4*     gd_29   
   AP   O3P    NP  NO5*     gd_19   
   AP   O3P    NP  NO5*     gd_22   
  O3P    NP  NO5*  NC5*     gd_19   
  O3P    NP  NO5*  NC5*     gd_22   
   NP  NO5*  NC5*  NC4*     gd_29   
 AO5*  AC5*  AC4*  AO4*     gd_18   
 AO5*  AC5*  AC4*  AC3*     gd_17   
 AO5*  AC5*  AC4*  AC3*     gd_34   
 AC3*  AC4*  AO4*  AC1*     gd_29   
 AC5*  AC4*  AC3*  AC2*     gd_34   
 AC5*  AC4*  AC3*  AO3*     gd_17   
 AO4*  AC4*  AC3*  AC2*     gd_17   
 AO4*  AC4*  AC3*  AO3*     gd_18   
 AC4*  AO4*  AC1*  AC2*     gd_29   
 AO4*  AC1*   AN9   AC4     gd_16   
 AO4*  AC1*  AC2*  AO2*     gd_18   
 AO4*  AC1*  AC2*  AC3*     gd_17   
 AO4*  AC1*  AC2*  AC3*     gd_34   
  AN9  AC1*  AC2*  AO2*     gd_17   
  AC5   AC6   AN6  AH61     gd_14   
 AC1*  AC2*  AO2*  AP2*     gd_23   
 AC1*  AC2*  AC3*  AC4*     gd_34   
 AC1*  AC2*  AC3*  AO3*     gd_17   
 AO2*  AC2*  AC3*  AC4*     gd_17   
 AO2*  AC2*  AC3*  AO3*     gd_18   
 AC2*  AO2*  AP2*  AO8*     gd_19   
 AC2*  AO2*  AP2*  AO8*     gd_22   
 AO2*  AP2*  AO8*  AH8*     gd_19   
 AO2*  AP2*  AO8*  AH8*     gd_22   
 AC4*  AC3*  AO3*  AH3*     gd_23   
 NO5*  NC5*  NC4*  NO4*     gd_18   
 NO5*  NC5*  NC4*  NC3*     gd_17   
 NO5*  NC5*  NC4*  NC3*     gd_34   
 NC3*  NC4*  NO4*  NC1*     gd_29   
 NC5*  NC4*  NC3*  NC2*     gd_34   
 NC5*  NC4*  NC3*  NO3*     gd_17   
 NO4*  NC4*  NC3*  NC2*     gd_17   
 NO4*  NC4*  NC3*  NO3*     gd_18   
 NC4*  NO4*  NC1*  NC2*     gd_29   
 NO4*  NC1*   NN1   NC2     gd_16   
 NO4*  NC1*  NC2*  NO2*     gd_18   
 NO4*  NC1*  NC2*  NC3*     gd_17   
 NO4*  NC1*  NC2*  NC3*     gd_34   
  NN1  NC1*  NC2*  NO2*     gd_17   
  NC2   NC3   NC7   NN7     gd_10   
  NC3   NC7   NN7  NH71     gd_14   
 NC1*  NC2*  NO2*  NH2*     gd_23   
 NC1*  NC2*  NC3*  NC4*     gd_34   
 NC1*  NC2*  NC3*  NO3*     gd_17   
 NO2*  NC2*  NC3*  NC4*     gd_17   
 NO2*  NC2*  NC3*  NO3*     gd_18   
 NC4*  NC3*  NO3*  NH3*     gd_23   

[ NDPP ]
 [ atoms ]
   AP     P     0.76000     0
 AO1P    OM    -0.63500     0
 AO2P    OM    -0.63500     0
 AO5*    OA    -0.36000     0
  O3P    OA    -0.26000     1
   NP     P     0.76000     1
 NO1P    OM    -0.63500     1
 NO2P    OM    -0.63500     1
 NO5*    OA    -0.36000     1
 AC5*   CH2     0.00000     2
 AC4*   CH1     0.16000     3
 AO4*    OA    -0.36000     3
 AC1*   CH1     0.20000     3
  AN9    NR    -0.20000     4
  AC4     C     0.20000     4
  AN3    NR    -0.36000     5
  AC2   CR1     0.36000     5
  AN1    NR    -0.36000     6
  AC6     C     0.36000     6
  AN6    NT    -0.83000     7
 AH61     H     0.41500     7
 AH62     H     0.41500     7
  AC5     C     0.00000     8
  AN7    NR    -0.36000     8
  AC8   CR1     0.36000     8
 AC2*   CH1     0.15000     9
 AO2*    OA    -0.36000     9
 AP2*     P     0.63000     9
 AO6*    OM    -0.63500     9
 AO7*    OM    -0.63500     9
 AO8*    OA    -0.54800     9
 AH8*     H     0.39800     9
 AC3*   CH1     0.15000    10
 AO3*    OA    -0.54800    10
 AH3*     H     0.39800    10
 NC5*   CH2     0.00000    11
 NC4*   CH1     0.16000    12
 NO4*    OA    -0.36000    12
 NC1*   CH1     0.20000    12
  NN1    NR     0.10000    13
  NC6   CR1     0.30000    13
  NC2   CR1     0.25000    13
  NC3     C     0.00000    13
  NC4   CR1     0.25000    13
  NC5   CR1     0.10000    13
  NC7     C     0.38000    14
  NO7     O    -0.38000    14
  NN7    NT    -0.83000    15
 NH71     H     0.41500    15
 NH72     H     0.41500    15
 NC2*   CH1     0.15000    16
 NO2*    OA    -0.54800    16
 NH2*     H     0.39800    16
 NC3*   CH1     0.15000    17
 NO3*    OA    -0.54800    17
 NH3*     H     0.39800    17
 [ bonds ]
   AP  AO1P    gb_24   
   AP  AO2P    gb_24   
   AP  AO5*    gb_28   
   AP   O3P    gb_28   
 AO5*  AC5*    gb_20   
  O3P    NP    gb_28   
   NP  NO1P    gb_24   
   NP  NO2P    gb_24   
   NP  NO5*    gb_28   
 NO5*  NC5*    gb_20   
 AC5*  AC4*    gb_26   
 AC4*  AO4*    gb_20   
 AC4*  AC3*    gb_26   
 AO4*  AC1*    gb_20   
 AC1*   AN9    gb_22   
 AC1*  AC2*    gb_26   
  AN9   AC4    gb_10   
  AN9   AC8    gb_10   
  AC4   AN3    gb_12   
  AC4   AC5    gb_16   
  AN3   AC2    gb_7    
  AC2   AN1    gb_7    
  AN1   AC6    gb_12   
  AC6   AN6    gb_9    
  AC6   AC5    gb_16   
  AN6  AH61    gb_2    
  AN6  AH62    gb_2    
  AC5   AN7    gb_10   
  AN7   AC8    gb_10   
 AC2*  AO2*    gb_20   
 AC2*  AC3*    gb_26   
 AO2*  AP2*    gb_28   
 AP2*  AO6*    gb_24   
 AP2*  AO7*    gb_24   
 AP2*  AO8*    gb_28   
 AO8*  AH8*    gb_1    
 AC3*  AO3*    gb_20   
 AO3*  AH3*    gb_1    
 NC5*  NC4*    gb_26   
 NC4*  NO4*    gb_20   
 NC4*  NC3*    gb_26   
 NO4*  NC1*    gb_20   
 NC1*   NN1    gb_23   
 NC1*  NC2*    gb_26   
  NN1   NC6    gb_17   
  NN1   NC2    gb_17   
  NC6   NC5    gb_16   
  NC2   NC3    gb_16   
  NC3   NC4    gb_16   
  NC3   NC7    gb_27   
  NC4   NC5    gb_16   
  NC7   NO7    gb_5    
  NC7   NN7    gb_9    
  NN7  NH71    gb_2    
  NN7  NH72    gb_2    
 NC2*  NO2*    gb_20   
 NC2*  NC3*    gb_26   
 NO2*  NH2*    gb_1    
 NC3*  NO3*    gb_20   
 NO3*  NH3*    gb_1    
 [ exclusions ]
;  ai    aj
 AC1*   AN3
 AC1*   AC5
 AC1*   AN7
  AN9   AC2
  AN9   AC6
  AC4   AN1
  AC4   AN6
  AN3   AC6
  AN3   AN7
  AN3   AC8
  AC2   AN6
  AC2   AC5
  AN1   AN7
  AC6   AC8
  AN6   AN7
 AO2*  AH8*
 AO6*  AH8*
 AO7*  AH8*
 NC1*   NC3
 NC1*   NC5
  NN1   NC4
  NN1   NC7
  NC6   NC3
  NC2   NC5
  NC5   NC7
 [ angles ]
;  ai    aj    ak   gromos type
 AO1P    AP  AO2P     ga_29   
 AO1P    AP  AO5*     ga_14   
 AO1P    AP   O3P     ga_14   
 AO2P    AP  AO5*     ga_14   
 AO2P    AP   O3P     ga_14   
 AO5*    AP   O3P     ga_5    
   AP  AO5*  AC5*     ga_26   
   AP   O3P    NP     ga_26   
  O3P    NP  NO1P     ga_14   
  O3P    NP  NO2P     ga_14   
  O3P    NP  NO5*     ga_5    
 NO1P    NP  NO2P     ga_29   
 NO1P    NP  NO5*     ga_14   
 NO2P    NP  NO5*     ga_14   
   NP  NO5*  NC5*     ga_26   
 AO5*  AC5*  AC4*     ga_9    
 AC5*  AC4*  AO4*     ga_9    
 AC5*  AC4*  AC3*     ga_8    
 AO4*  AC4*  AC3*     ga_9    
 AC4*  AO4*  AC1*     ga_10   
 AO4*  AC1*   AN9     ga_9    
 AO4*  AC1*  AC2*     ga_9    
  AN9  AC1*  AC2*     ga_9    
 AC1*   AN9   AC4     ga_37   
 AC1*   AN9   AC8     ga_37   
  AC4   AN9   AC8     ga_7    
  AN9   AC4   AN3     ga_39   
  AN9   AC4   AC5     ga_7    
  AN3   AC4   AC5     ga_27   
  AC4   AN3   AC2     ga_27   
  AN3   AC2   AN1     ga_27   
  AC2   AN1   AC6     ga_27   
  AN1   AC6   AN6     ga_27   
  AN1   AC6   AC5     ga_27   
  AN6   AC6   AC5     ga_27   
  AC6   AN6  AH61     ga_23   
  AC6   AN6  AH62     ga_23   
 AH61   AN6  AH62     ga_24   
  AC4   AC5   AC6     ga_27   
  AC4   AC5   AN7     ga_7    
  AC6   AC5   AN7     ga_39   
  AC5   AN7   AC8     ga_7    
  AN9   AC8   AN7     ga_7    
 AC1*  AC2*  AO2*     ga_9    
 AC1*  AC2*  AC3*     ga_8    
 AO2*  AC2*  AC3*     ga_9    
 AC2*  AO2*  AP2*     ga_26   
 AO2*  AP2*  AO6*     ga_14   
 AO2*  AP2*  AO7*     ga_14   
 AO2*  AP2*  AO8*     ga_5    
 AO6*  AP2*  AO7*     ga_29   
 AO6*  AP2*  AO8*     ga_14   
 AO7*  AP2*  AO8*     ga_14   
 AP2*  AO8*  AH8*     ga_12   
 AC4*  AC3*  AC2*     ga_8    
 AC4*  AC3*  AO3*     ga_9    
 AC2*  AC3*  AO3*     ga_9    
 AC3*  AO3*  AH3*     ga_12   
 NO5*  NC5*  NC4*     ga_9    
 NC5*  NC4*  NO4*     ga_9    
 NC5*  NC4*  NC3*     ga_8    
 NO4*  NC4*  NC3*     ga_9    
 NC4*  NO4*  NC1*     ga_10   
 NO4*  NC1*   NN1     ga_9    
 NO4*  NC1*  NC2*     ga_9    
  NN1  NC1*  NC2*     ga_8    
 NC1*   NN1   NC6     ga_27   
 NC1*   NN1   NC2     ga_27   
  NC6   NN1   NC2     ga_27   
  NN1   NC6   NC5     ga_27   
  NN1   NC2   NC3     ga_27   
  NC2   NC3   NC4     ga_27   
  NC2   NC3   NC7     ga_27   
  NC4   NC3   NC7     ga_27   
  NC3   NC4   NC5     ga_27   
  NC6   NC5   NC4     ga_27   
  NC3   NC7   NO7     ga_30   
  NC3   NC7   NN7     ga_19   
  NO7   NC7   NN7     ga_33   
  NC7   NN7  NH71     ga_23   
  NC7   NN7  NH72     ga_23   
 NH71   NN7  NH72     ga_24   
 NC1*  NC2*  NO2*     ga_9    
 NC1*  NC2*  NC3*     ga_8    
 NO2*  NC2*  NC3*     ga_9    
 NC2*  NO2*  NH2*     ga_12   
 NC4*  NC3*  NC2*     ga_8    
 NC4*  NC3*  NO3*     ga_9    
 NC2*  NC3*  NO3*     ga_9    
 NC3*  NO3*  NH3*     ga_12   
 [ impropers ]
;  ai    aj    ak    al   gromos type
 AC1*   AC4   AC8   AN9     gi_1    
  AN9   AC4   AC5   AN7     gi_1    
  AC4   AN9   AN3   AC5     gi_1    
  AC4   AN9   AC8   AN7     gi_1    
  AC4   AN3   AC2   AN1     gi_1    
  AC4   AC5   AN7   AC8     gi_1    
  AN3   AC4   AC5   AC6     gi_1    
  AN3   AC2   AN1   AC6     gi_1    
  AC2   AN1   AC6   AC5     gi_1    
  AN1   AC6   AC5   AC4     gi_1    
  AN6   AN1   AC5   AC6     gi_1    
  AN6  AH61  AH62   AC6     gi_1    
  AC5   AC4   AN3   AC2     gi_1    
  AC5   AC6   AN7   AC4     gi_1    
  AC5   AN7   AC8   AN9     gi_1    
  AC8   AN9   AC4   AC5     gi_1    
 AC2*  AO4*   AN9  AC1*     gi_2    
 AC2*  AO2*  AC3*  AC1*     gi_2    
 AC3*  AC5*  AO4*  AC4*     gi_2    
 AC3*  AC2*  AO3*  AC4*     gi_2    
  NN1   NC6   NC2  NC1*     gi_1    
  NN1   NC6   NC5   NC4     gi_1    
  NN1   NC2   NC3   NC4     gi_1    
  NC6   NN1   NC2   NC3     gi_1    
  NC2   NN1   NC6   NC5     gi_1    
  NC2   NC3   NC4   NC5     gi_1    
  NC3   NC4   NC5   NC6     gi_1    
  NC7   NC2   NC4   NC3     gi_1    
  NC7   NO7   NN7   NC3     gi_1    
  NN7  NH71  NH72   NC7     gi_1    
 NC2*  NO4*   NN1  NC1*     gi_2    
 NC2*  NO2*  NC3*  NC1*     gi_2    
 NC3*  NC5*  NO4*  NC4*     gi_2    
 NC3*  NC2*  NO3*  NC4*     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  O3P    AP  AO5*  AC5*     gd_19   
  O3P    AP  AO5*  AC5*     gd_22   
 AO5*    AP   O3P    NP     gd_19   
 AO5*    AP   O3P    NP     gd_22   
   AP  AO5*  AC5*  AC4*     gd_29   
   AP   O3P    NP  NO5*     gd_19   
   AP   O3P    NP  NO5*     gd_22   
  O3P    NP  NO5*  NC5*     gd_19   
  O3P    NP  NO5*  NC5*     gd_22   
   NP  NO5*  NC5*  NC4*     gd_29   
 AO5*  AC5*  AC4*  AO4*     gd_18   
 AO5*  AC5*  AC4*  AC3*     gd_17   
 AO5*  AC5*  AC4*  AC3*     gd_34   
 AC3*  AC4*  AO4*  AC1*     gd_29   
 AC5*  AC4*  AC3*  AC2*     gd_34   
 AC5*  AC4*  AC3*  AO3*     gd_17   
 AO4*  AC4*  AC3*  AC2*     gd_17   
 AO4*  AC4*  AC3*  AO3*     gd_18   
 AC4*  AO4*  AC1*  AC2*     gd_29   
 AO4*  AC1*   AN9   AC4     gd_16   
 AO4*  AC1*  AC2*  AO2*     gd_18   
 AO4*  AC1*  AC2*  AC3*     gd_17   
 AO4*  AC1*  AC2*  AC3*     gd_34   
  AN9  AC1*  AC2*  AO2*     gd_17   
  AC5   AC6   AN6  AH61     gd_14   
 AC1*  AC2*  AO2*  AP2*     gd_23   
 AC1*  AC2*  AC3*  AC4*     gd_34   
 AC1*  AC2*  AC3*  AO3*     gd_17   
 AO2*  AC2*  AC3*  AC4*     gd_17   
 AO2*  AC2*  AC3*  AO3*     gd_18   
 AC2*  AO2*  AP2*  AO8*     gd_19   
 AC2*  AO2*  AP2*  AO8*     gd_22   
 AO2*  AP2*  AO8*  AH8*     gd_19   
 AO2*  AP2*  AO8*  AH8*     gd_22   
 AC4*  AC3*  AO3*  AH3*     gd_23   
 NO5*  NC5*  NC4*  NO4*     gd_18   
 NO5*  NC5*  NC4*  NC3*     gd_17   
 NO5*  NC5*  NC4*  NC3*     gd_34   
 NC3*  NC4*  NO4*  NC1*     gd_29   
 NC5*  NC4*  NC3*  NC2*     gd_34   
 NC5*  NC4*  NC3*  NO3*     gd_17   
 NO4*  NC4*  NC3*  NC2*     gd_17   
 NO4*  NC4*  NC3*  NO3*     gd_18   
 NC4*  NO4*  NC1*  NC2*     gd_29   
 NO4*  NC1*   NN1   NC2     gd_16   
 NO4*  NC1*  NC2*  NO2*     gd_18   
 NO4*  NC1*  NC2*  NC3*     gd_17   
 NO4*  NC1*  NC2*  NC3*     gd_34   
  NN1  NC1*  NC2*  NO2*     gd_17   
  NC2   NC3   NC7   NN7     gd_10   
  NC3   NC7   NN7  NH71     gd_14   
 NC1*  NC2*  NO2*  NH2*     gd_23   
 NC1*  NC2*  NC3*  NC4*     gd_34   
 NC1*  NC2*  NC3*  NO3*     gd_17   
 NO2*  NC2*  NC3*  NC4*     gd_17   
 NO2*  NC2*  NC3*  NO3*     gd_18   
 NC4*  NC3*  NO3*  NH3*     gd_23   

[ NDPHN ]
 [ atoms ]
   AP     P     1.02000     0
 AO1P    OA    -0.54800     0
 AH1P     H     0.39800     0
 AO2P     O    -0.38000     0
 AO5*    OA    -0.36000     0
  O3P    OA    -0.26000     1
   NP     P     1.02000     1
 NO1P    OA    -0.54800     1
 NH1P     H     0.39800     1
 NO2P     O    -0.38000     1
 NO5*    OA    -0.36000     1
 AC5*   CH2     0.00000     2
 AC4*   CH1     0.16000     3
 AO4*    OA    -0.36000     3
 AC1*   CH1     0.20000     3
  AN9    NR    -0.20000     4
  AC4     C     0.20000     4
  AN3    NR    -0.36000     5
  AC2   CR1     0.36000     5
  AN1    NR    -0.36000     6
  AC6     C     0.36000     6
  AN6    NT    -0.83000     7
 AH61     H     0.41500     7
 AH62     H     0.41500     7
  AC5     C     0.00000     8
  AN7    NR    -0.36000     8
  AC8   CR1     0.36000     8
 AC2*   CH1     0.15000     9
 AO2*    OA    -0.36000     9
 AP2*     P     0.89000     9
 AO6*     O    -0.38000     9
 AO7*    OA    -0.54800     9
 AH7*     H     0.39800     9
 AO8*    OA    -0.54800     9
 AH8*     H     0.39800     9
 AC3*   CH1     0.15000    10
 AO3*    OA    -0.54800    10
 AH3*     H     0.39800    10
 NC5*   CH2     0.00000    11
 NC4*   CH1     0.16000    12
 NO4*    OA    -0.36000    12
 NC1*   CH1     0.20000    12
  NN1    NR    -0.20000    13
  NC6   CR1     0.20000    13
  NC2   CR1     0.00000    13
  NC3     C     0.00000    13
  NC4   CH2     0.00000    13
  NC5   CR1     0.00000    13
  NC7     C     0.38000    14
  NO7     O    -0.38000    14
  NN7    NT    -0.83000    15
 NH71     H     0.41500    15
 NH72     H     0.41500    15
 NC2*   CH1     0.15000    16
 NO2*    OA    -0.54800    16
 NH2*     H     0.39800    16
 NC3*   CH1     0.15000    17
 NO3*    OA    -0.54800    17
 NH3*     H     0.39800    17
 [ bonds ]
   AP  AO1P    gb_28   
   AP  AO2P    gb_24   
   AP  AO5*    gb_28   
   AP   O3P    gb_28   
 AO1P  AH1P    gb_1    
 AO5*  AC5*    gb_20   
  O3P    NP    gb_28   
   NP  NO1P    gb_28   
   NP  NO2P    gb_24   
   NP  NO5*    gb_28   
 NO1P  NH1P    gb_1    
 NO5*  NC5*    gb_20   
 AC5*  AC4*    gb_26   
 AC4*  AO4*    gb_20   
 AC4*  AC3*    gb_26   
 AO4*  AC1*    gb_20   
 AC1*   AN9    gb_22   
 AC1*  AC2*    gb_26   
  AN9   AC4    gb_10   
  AN9   AC8    gb_10   
  AC4   AN3    gb_12   
  AC4   AC5    gb_16   
  AN3   AC2    gb_7    
  AC2   AN1    gb_7    
  AN1   AC6    gb_12   
  AC6   AN6    gb_9    
  AC6   AC5    gb_16   
  AN6  AH61    gb_2    
  AN6  AH62    gb_2    
  AC5   AN7    gb_10   
  AN7   AC8    gb_10   
 AC2*  AO2*    gb_20   
 AC2*  AC3*    gb_26   
 AO2*  AP2*    gb_28   
 AP2*  AO6*    gb_24   
 AP2*  AO7*    gb_28   
 AP2*  AO8*    gb_28   
 AO7*  AH7*    gb_1    
 AO8*  AH8*    gb_1    
 AC3*  AO3*    gb_20   
 AO3*  AH3*    gb_1    
 NC5*  NC4*    gb_26   
 NC4*  NO4*    gb_20   
 NC4*  NC3*    gb_26   
 NO4*  NC1*    gb_20   
 NC1*   NN1    gb_23   
 NC1*  NC2*    gb_26   
  NN1   NC6    gb_17   
  NN1   NC2    gb_17   
  NC6   NC5    gb_16   
  NC2   NC3    gb_16   
  NC3   NC4    gb_15   
  NC3   NC7    gb_27   
  NC4   NC5    gb_15   
  NC7   NO7    gb_5    
  NC7   NN7    gb_9    
  NN7  NH71    gb_2    
  NN7  NH72    gb_2    
 NC2*  NO2*    gb_20   
 NC2*  NC3*    gb_26   
 NO2*  NH2*    gb_1    
 NC3*  NO3*    gb_20   
 NO3*  NH3*    gb_1    
 [ exclusions ]
;  ai    aj
 AH1P  AO2P
 AH1P  AO5*
 AH1P   O3P
  O3P  NH1P
 NH1P  NO2P
 NH1P  NO5*
 AC1*   AN3
 AC1*   AC5
 AC1*   AN7
  AN9   AC2
  AN9   AC6
  AC4   AN1
  AC4   AN6
  AN3   AC6
  AN3   AN7
  AN3   AC8
  AC2   AN6
  AC2   AC5
  AN1   AN7
  AC6   AC8
  AN6   AN7
 AO2*  AH7*
 AO2*  AH8*
 AO6*  AH7*
 AO6*  AH8*
 AO7*  AH8*
 AH7*  AO8*
 AH7*  AH8*
 NC1*   NC3
 NC1*   NC5
  NN1   NC4
  NN1   NC7
  NC6   NC3
  NC2   NC5
  NC5   NC7
 [ angles ]
;  ai    aj    ak   gromos type
 AO1P    AP  AO2P     ga_14   
 AO1P    AP  AO5*     ga_14   
 AO1P    AP   O3P     ga_14   
 AO2P    AP  AO5*     ga_14   
 AO2P    AP   O3P     ga_14   
 AO5*    AP   O3P     ga_14   
   AP  AO1P  AH1P     ga_12   
   AP  AO5*  AC5*     ga_26   
   AP   O3P    NP     ga_26   
  O3P    NP  NO1P     ga_14   
  O3P    NP  NO2P     ga_14   
  O3P    NP  NO5*     ga_14   
 NO1P    NP  NO2P     ga_14   
 NO1P    NP  NO5*     ga_14   
 NO2P    NP  NO5*     ga_14   
   NP  NO1P  NH1P     ga_12   
   NP  NO5*  NC5*     ga_26   
 AO5*  AC5*  AC4*     ga_9    
 AC5*  AC4*  AO4*     ga_9    
 AC5*  AC4*  AC3*     ga_8    
 AO4*  AC4*  AC3*     ga_9    
 AC4*  AO4*  AC1*     ga_10   
 AO4*  AC1*   AN9     ga_9    
 AO4*  AC1*  AC2*     ga_9    
  AN9  AC1*  AC2*     ga_9    
 AC1*   AN9   AC4     ga_37   
 AC1*   AN9   AC8     ga_37   
  AC4   AN9   AC8     ga_7    
  AN9   AC4   AN3     ga_39   
  AN9   AC4   AC5     ga_7    
  AN3   AC4   AC5     ga_27   
  AC4   AN3   AC2     ga_27   
  AN3   AC2   AN1     ga_27   
  AC2   AN1   AC6     ga_27   
  AN1   AC6   AN6     ga_27   
  AN1   AC6   AC5     ga_27   
  AN6   AC6   AC5     ga_27   
  AC6   AN6  AH61     ga_23   
  AC6   AN6  AH62     ga_23   
 AH61   AN6  AH62     ga_24   
  AC4   AC5   AC6     ga_27   
  AC4   AC5   AN7     ga_7    
  AC6   AC5   AN7     ga_39   
  AC5   AN7   AC8     ga_7    
  AN9   AC8   AN7     ga_7    
 AC1*  AC2*  AO2*     ga_9    
 AC1*  AC2*  AC3*     ga_8    
 AO2*  AC2*  AC3*     ga_9    
 AC2*  AO2*  AP2*     ga_26   
 AO2*  AP2*  AO6*     ga_14   
 AO2*  AP2*  AO7*     ga_14   
 AO2*  AP2*  AO8*     ga_14   
 AO6*  AP2*  AO7*     ga_14   
 AO6*  AP2*  AO8*     ga_14   
 AO7*  AP2*  AO8*     ga_14   
 AP2*  AO7*  AH7*     ga_12   
 AP2*  AO8*  AH8*     ga_12   
 AC4*  AC3*  AC2*     ga_8    
 AC4*  AC3*  AO3*     ga_9    
 AC2*  AC3*  AO3*     ga_9    
 AC3*  AO3*  AH3*     ga_12   
 NO5*  NC5*  NC4*     ga_9    
 NC5*  NC4*  NO4*     ga_9    
 NC5*  NC4*  NC3*     ga_8    
 NO4*  NC4*  NC3*     ga_9    
 NC4*  NO4*  NC1*     ga_10   
 NO4*  NC1*   NN1     ga_9    
 NO4*  NC1*  NC2*     ga_9    
  NN1  NC1*  NC2*     ga_8    
 NC1*   NN1   NC6     ga_27   
 NC1*   NN1   NC2     ga_27   
  NC6   NN1   NC2     ga_27   
  NN1   NC6   NC5     ga_27   
  NN1   NC2   NC3     ga_27   
  NC2   NC3   NC4     ga_27   
  NC2   NC3   NC7     ga_27   
  NC4   NC3   NC7     ga_27   
  NC3   NC4   NC5     ga_27   
  NC6   NC5   NC4     ga_27   
  NC3   NC7   NO7     ga_30   
  NC3   NC7   NN7     ga_19   
  NO7   NC7   NN7     ga_33   
  NC7   NN7  NH71     ga_23   
  NC7   NN7  NH72     ga_23   
 NH71   NN7  NH72     ga_24   
 NC1*  NC2*  NO2*     ga_9    
 NC1*  NC2*  NC3*     ga_8    
 NO2*  NC2*  NC3*     ga_9    
 NC2*  NO2*  NH2*     ga_12   
 NC4*  NC3*  NC2*     ga_8    
 NC4*  NC3*  NO3*     ga_9    
 NC2*  NC3*  NO3*     ga_9    
 NC3*  NO3*  NH3*     ga_12   
 [ impropers ]
;  ai    aj    ak    al   gromos type
 AC1*   AC4   AC8   AN9     gi_1    
  AN9   AC4   AC5   AN7     gi_1    
  AC4   AN9   AN3   AC5     gi_1    
  AC4   AN9   AC8   AN7     gi_1    
  AC4   AN3   AC2   AN1     gi_1    
  AC4   AC5   AN7   AC8     gi_1    
  AN3   AC4   AC5   AC6     gi_1    
  AN3   AC2   AN1   AC6     gi_1    
  AC2   AN1   AC6   AC5     gi_1    
  AN1   AC6   AC5   AC4     gi_1    
  AN6   AN1   AC5   AC6     gi_1    
  AN6  AH61  AH62   AC6     gi_1    
  AC5   AC4   AN3   AC2     gi_1    
  AC5   AC6   AN7   AC4     gi_1    
  AC5   AN7   AC8   AN9     gi_1    
  AC8   AN9   AC4   AC5     gi_1    
 AC2*  AO4*   AN9  AC1*     gi_2    
 AC2*  AO2*  AC3*  AC1*     gi_2    
 AC3*  AC5*  AO4*  AC4*     gi_2    
 AC3*  AC2*  AO3*  AC4*     gi_2    
  NN1   NC6   NC2  NC1*     gi_1    
  NN1   NC6   NC5   NC4     gi_1    
  NN1   NC2   NC3   NC4     gi_1    
  NC6   NN1   NC2   NC3     gi_1    
  NC2   NN1   NC6   NC5     gi_1    
  NC2   NC3   NC4   NC5     gi_1    
  NC3   NC4   NC5   NC6     gi_1    
  NC7   NC2   NC4   NC3     gi_1    
  NC7   NO7   NN7   NC3     gi_1    
  NN7  NH71  NH72   NC7     gi_1    
 NC2*  NO4*   NN1  NC1*     gi_2    
 NC2*  NO2*  NC3*  NC1*     gi_2    
 NC3*  NC5*  NO4*  NC4*     gi_2    
 NC3*  NC2*  NO3*  NC4*     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
 AO5*    AP  AO1P  AH1P     gd_19   
 AO5*    AP  AO1P  AH1P     gd_22   
  O3P    AP  AO5*  AC5*     gd_19   
  O3P    AP  AO5*  AC5*     gd_22   
 AO5*    AP   O3P    NP     gd_19   
 AO5*    AP   O3P    NP     gd_22   
   AP  AO5*  AC5*  AC4*     gd_29   
   AP   O3P    NP  NO5*     gd_19   
   AP   O3P    NP  NO5*     gd_22   
 NO5*    NP  NO1P  NH1P     gd_19   
 NO5*    NP  NO1P  NH1P     gd_22   
  O3P    NP  NO5*  NC5*     gd_19   
  O3P    NP  NO5*  NC5*     gd_22   
   NP  NO5*  NC5*  NC4*     gd_29   
 AO5*  AC5*  AC4*  AO4*     gd_18   
 AO5*  AC5*  AC4*  AC3*     gd_17   
 AO5*  AC5*  AC4*  AC3*     gd_34   
 AC3*  AC4*  AO4*  AC1*     gd_29   
 AC5*  AC4*  AC3*  AC2*     gd_34   
 AC5*  AC4*  AC3*  AO3*     gd_17   
 AO4*  AC4*  AC3*  AC2*     gd_17   
 AO4*  AC4*  AC3*  AO3*     gd_18   
 AC4*  AO4*  AC1*  AC2*     gd_29   
 AO4*  AC1*   AN9   AC4     gd_16   
 AO4*  AC1*  AC2*  AO2*     gd_18   
 AO4*  AC1*  AC2*  AC3*     gd_17   
 AO4*  AC1*  AC2*  AC3*     gd_34   
  AN9  AC1*  AC2*  AO2*     gd_17   
  AC5   AC6   AN6  AH61     gd_14   
 AC1*  AC2*  AO2*  AP2*     gd_23   
 AC1*  AC2*  AC3*  AC4*     gd_34   
 AC1*  AC2*  AC3*  AO3*     gd_17   
 AO2*  AC2*  AC3*  AC4*     gd_17   
 AO2*  AC2*  AC3*  AO3*     gd_18   
 AC2*  AO2*  AP2*  AO8*     gd_19   
 AC2*  AO2*  AP2*  AO8*     gd_22   
 AO2*  AP2*  AO7*  AH7*     gd_19   
 AO2*  AP2*  AO7*  AH7*     gd_22   
 AO2*  AP2*  AO8*  AH8*     gd_19   
 AO2*  AP2*  AO8*  AH8*     gd_22   
 AC4*  AC3*  AO3*  AH3*     gd_23   
 NO5*  NC5*  NC4*  NO4*     gd_18   
 NO5*  NC5*  NC4*  NC3*     gd_17   
 NO5*  NC5*  NC4*  NC3*     gd_34   
 NC3*  NC4*  NO4*  NC1*     gd_29   
 NC5*  NC4*  NC3*  NC2*     gd_34   
 NC5*  NC4*  NC3*  NO3*     gd_17   
 NO4*  NC4*  NC3*  NC2*     gd_17   
 NO4*  NC4*  NC3*  NO3*     gd_18   
 NC4*  NO4*  NC1*  NC2*     gd_29   
 NO4*  NC1*   NN1   NC2     gd_16   
 NO4*  NC1*  NC2*  NO2*     gd_18   
 NO4*  NC1*  NC2*  NC3*     gd_17   
 NO4*  NC1*  NC2*  NC3*     gd_34   
  NN1  NC1*  NC2*  NO2*     gd_17   
  NC2   NC3   NC7   NN7     gd_10   
  NC3   NC7   NN7  NH71     gd_14   
 NC1*  NC2*  NO2*  NH2*     gd_23   
 NC1*  NC2*  NC3*  NC4*     gd_34   
 NC1*  NC2*  NC3*  NO3*     gd_17   
 NO2*  NC2*  NC3*  NC4*     gd_17   
 NO2*  NC2*  NC3*  NO3*     gd_18   
 NC4*  NC3*  NO3*  NH3*     gd_23   

[ GLCA ]
 [ atoms ]
   C4   CH1     0.23200     0
   C3   CH1     0.23200     1
   O3    OA    -0.64200     1
  HO3     H     0.41000     1
   C2   CH1     0.23200     2
   O2    OA    -0.64200     2
  HO2     H     0.41000     2
   C6   CH2     0.23200     3
   O6    OA    -0.64200     3
  HO6     H     0.41000     3
   C5   CH1     0.37600     4
   O5    OA    -0.48000     4
   C1   CH1       0.232     4
   O1    OA      -0.360     4
 [ bonds ]
   C4    C3    gb_26   
   C4    C5    gb_26   
   C3    O3    gb_20   
   C3    C2    gb_26   
   O3   HO3    gb_1    
   C2    O2    gb_20   
   C2    C1    gb_26   
   O2   HO2    gb_1    
   C6    O6    gb_20   
   C6    C5    gb_26   
   O6   HO6    gb_1    
   C5    O5    gb_20   
   O5    C1    gb_20   
   C1    O1    gb_20   
   O1   +C4    gb_20   
 [ angles ]
;  ai    aj    ak   gromos type
  -C1   -O1    C4     ga_10   
  -O1    C4    C3     ga_9    
  -O1    C4    C5     ga_9    
   C3    C4    C5     ga_8    
   C4    C3    O3     ga_9    
   C4    C3    C2     ga_8    
   O3    C3    C2     ga_9    
   C3    O3   HO3     ga_12   
   C3    C2    O2     ga_9    
   C3    C2    C1     ga_8    
   O2    C2    C1     ga_9    
   C2    O2   HO2     ga_12   
   O6    C6    C5     ga_9    
   C6    O6   HO6     ga_12   
   C4    C5    C6     ga_8    
   C4    C5    O5     ga_9    
   C6    C5    O5     ga_9    
   C5    O5    C1     ga_10   
   C2    C1    O5     ga_9    
   C2    C1    O1     ga_9    
   O5    C1    O1     ga_9    
   C1    O1   +C4     ga_10   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   C4    C6    O5    C5     gi_2    
   C3    O3    C2    C4     gi_2    
   C5   -O1    C3    C4     gi_2    
   C1    C3    O2    C2     gi_2    
   C1    O5    O1    C2     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -C1   -O1    C4    C3     gd_30
  -O1    C4    C3    O3     gd_18
  -O1    C4    C3    C2     gd_17
   C5    C4    C3    O3     gd_17
   C5    C4    C3    C2     gd_34
  -O1    C4    C5    C6     gd_17
   C3    C4    C5    O5     gd_34
   C3    C4    C5    O5     gd_17
   C2    C3    O3   HO3     gd_30
   C4    C3    C2    O2     gd_17
   C4    C3    C2    C1     gd_34
   O3    C3    C2    O2     gd_18
   O3    C3    C2    C1     gd_17
   C1    C2    O2   HO2     gd_30
   C3    C2    C1    O5     gd_34
   C3    C2    C1    O5     gd_17
   C3    C2    C1    O1     gd_17
   O2    C2    C1    O1     gd_18
   C5    C6    O6   HO6     gd_30
   O6    C6    C5    O5     gd_5 
   O6    C6    C5    O5     gd_37
   C4    C5    O5    C1     gd_29   
   C5    O5    C1    C2     gd_29
   O5    C1    O1   +C4     gd_6 
   O5    C1    O1   +C4     gd_28

[ GLCB ]
 [ atoms ]
   C4   CH1     0.23200     0
   C3   CH1     0.23200     1
   O3    OA    -0.64200     1
  HO3     H     0.41000     1
   C2   CH1     0.23200     2
   O2    OA    -0.64200     2
  HO2     H     0.41000     2
   C6   CH2     0.23200     3
   O6    OA    -0.64200     3
  HO6     H     0.41000     3
   C5   CH1     0.37600     4
   O5    OA    -0.48000     4
   C1   CH1       0.232     4
   O1    OA      -0.360     4
 [ bonds ]
   C4    C3    gb_26   
   C4    C5    gb_26   
   C3    O3    gb_20   
   C3    C2    gb_26   
   O3   HO3    gb_1    
   C2    O2    gb_20   
   C2    C1    gb_26   
   O2   HO2    gb_1    
   C6    O6    gb_20   
   C6    C5    gb_26   
   O6   HO6    gb_1    
   C5    O5    gb_20   
   O5    C1    gb_20   
   C1    O1    gb_20   
   O1   +C4    gb_20   
 [ angles ]
;  ai    aj    ak   gromos type
  -C1   -O1    C4     ga_10   
  -O1    C4    C3     ga_9    
  -O1    C4    C5     ga_9    
   C3    C4    C5     ga_8    
   C4    C3    O3     ga_9    
   C4    C3    C2     ga_8    
   O3    C3    C2     ga_9    
   C3    O3   HO3     ga_12   
   C3    C2    O2     ga_9    
   C3    C2    C1     ga_8    
   O2    C2    C1     ga_9    
   C2    O2   HO2     ga_12   
   O6    C6    C5     ga_9    
   C6    O6   HO6     ga_12   
   C4    C5    C6     ga_8    
   C4    C5    O5     ga_9    
   C6    C5    O5     ga_9    
   C5    O5    C1     ga_10   
   C2    C1    O5     ga_9    
   C2    C1    O1     ga_9    
   O5    C1    O1     ga_9    
   C1    O1   +C4     ga_10   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   C4    C6    O5    C5     gi_2    
   C3    O3    C2    C4     gi_2    
   C2    O5    O1    C1     gi_2    
   C5   -O1    C3    C4     gi_2    
   C1    C3    O2    C2     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -C1   -O1    C4    C3     gd_30
  -O1    C4    C3    O3     gd_18
  -O1    C4    C3    C2     gd_17
   C5    C4    C3    O3     gd_17
   C5    C4    C3    C2     gd_34
  -O1    C4    C5    C6     gd_17
   C3    C4    C5    O5     gd_34
   C3    C4    C5    O5     gd_17   
   C2    C3    O3   HO3     gd_30
   C4    C3    C2    O2     gd_17
   C4    C3    C2    C1     gd_34
   O3    C3    C2    O2     gd_18
   O3    C3    C2    C1     gd_17
   C1    C2    O2   HO2     gd_30
   C3    C2    C1    O5     gd_34
   C3    C2    C1    O5     gd_17  
   C3    C2    C1    O1     gd_17 
   O2    C2    C1    O1     gd_18
   C5    C6    O6   HO6     gd_30
   O6    C6    C5    O5     gd_5 
   O6    C6    C5    O5     gd_37
   C4    C5    O5    C1     gd_29
   C5    O5    C1    C2     gd_29
   O5    C1    O1   +C4     gd_2 
   O5    C1    O1   +C4     gd_32

[ GALA ]
 [ atoms ]
   C4   CH1     0.23200     0
   C3   CH1     0.23200     1
   O3    OA    -0.64200     1
  HO3     H     0.41000     1
   C2   CH1     0.23200     2
   O2    OA    -0.64200     2
  HO2     H     0.41000     2
   C6   CH2     0.23200     3
   O6    OA    -0.64200     3
  HO6     H     0.41000     3
   C5   CH1     0.37600     4
   O5    OA    -0.48000     4
   C1   CH1       0.232     4
   O1    OA      -0.360     4
 [ bonds ]
   C4    C3    gb_26   
   C4    C5    gb_26   
   C3    O3    gb_20   
   C3    C2    gb_26   
   O3   HO3    gb_1    
   C2    O2    gb_20   
   C2    C1    gb_26   
   O2   HO2    gb_1    
   C6    O6    gb_20   
   C6    C5    gb_26   
   O6   HO6    gb_1    
   C5    O5    gb_20   
   O5    C1    gb_20   
   C1    O1    gb_20   
   O1   +C4    gb_20   
 [ angles ]
;  ai    aj    ak   gromos type
  -C1   -O1    C4     ga_10   
  -O1    C4    C3     ga_9    
  -O1    C4    C5     ga_9    
   C3    C4    C5     ga_8    
   C4    C3    O3     ga_9    
   C4    C3    C2     ga_8    
   O3    C3    C2     ga_9    
   C3    O3   HO3     ga_12   
   C3    C2    O2     ga_9    
   C3    C2    C1     ga_8    
   O2    C2    C1     ga_9    
   C2    O2   HO2     ga_12   
   O6    C6    C5     ga_9    
   C6    O6   HO6     ga_12   
   C4    C5    C6     ga_8    
   C4    C5    O5     ga_9    
   C6    C5    O5     ga_9    
   C5    O5    C1     ga_10   
   C2    C1    O5     ga_9    
   C2    C1    O1     ga_9    
   O5    C1    O1     ga_9    
   C1    O1   +C4     ga_10   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   C4   -O1    C3    C5     gi_2    
   C4    C6    O5    C5     gi_2    
   C3    O3    C2    C4     gi_2    
   C1    C3    O2    C2     gi_2    
   C1    O5    O1    C2     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -C1   -O1    C4    C3     gd_30
  -O1    C4    C3    O3     gd_18
  -O1    C4    C3    C2     gd_17
   C5    C4    C3    O3     gd_17
   C5    C4    C3    C2     gd_34
  -O1    C4    C5    C6     gd_17
   C3    C4    C5    O5     gd_34
   C3    C4    C5    O5     gd_17
   C2    C3    O3   HO3     gd_30
   C4    C3    C2    O2     gd_17
   C4    C3    C2    C1     gd_34
   O3    C3    C2    O2     gd_18
   O3    C3    C2    C1     gd_17
   C1    C2    O2   HO2     gd_30
   C3    C2    C1    O5     gd_34
   C3    C2    C1    O5     gd_17
   C3    C2    C1    O1     gd_17
   O2    C2    C1    O1     gd_18
   C5    C6    O6   HO6     gd_30
   O6    C6    C5    C4     gd_1 
   O6    C6    C5    O5     gd_3 
   O6    C6    C5    O5     gd_35
   C4    C5    O5    C1     gd_29
   C5    O5    C1    C2     gd_29
   O5    C1    O1   +C4     gd_6 
   O5    C1    O1   +C4     gd_28

[ GALB ]
 [ atoms ]
   C4   CH1     0.23200     0
   C3   CH1     0.23200     1
   O3    OA    -0.64200     1
  HO3     H     0.41000     1
   C2   CH1     0.23200     2
   O2    OA    -0.64200     2
  HO2     H     0.41000     2
   C6   CH2     0.23200     3
   O6    OA    -0.64200     3
  HO6     H     0.41000     3
   C5   CH1     0.37600     4
   O5    OA    -0.48000     4
   C1   CH1       0.232     4
   O1    OA      -0.360     4
 [ bonds ]
   C4    C3    gb_26   
   C4    C5    gb_26   
   C3    O3    gb_20   
   C3    C2    gb_26   
   O3   HO3    gb_1    
   C2    O2    gb_20   
   C2    C1    gb_26   
   O2   HO2    gb_1    
   C6    O6    gb_20   
   C6    C5    gb_26   
   O6   HO6    gb_1    
   C5    O5    gb_20   
   O5    C1    gb_20   
   C1    O1    gb_20   
   O1   +C4    gb_20   
 [ angles ]
;  ai    aj    ak   gromos type
  -C1   -O1    C4     ga_10   
  -O1    C4    C3     ga_9    
  -O1    C4    C5     ga_9    
   C3    C4    C5     ga_8    
   C4    C3    O3     ga_9    
   C4    C3    C2     ga_8    
   O3    C3    C2     ga_9    
   C3    O3   HO3     ga_12   
   C3    C2    O2     ga_9    
   C3    C2    C1     ga_8    
   O2    C2    C1     ga_9    
   C2    O2   HO2     ga_12   
   O6    C6    C5     ga_9    
   C6    O6   HO6     ga_12   
   C4    C5    C6     ga_8    
   C4    C5    O5     ga_9    
   C6    C5    O5     ga_9    
   C5    O5    C1     ga_10   
   C2    C1    O5     ga_9    
   C2    C1    O1     ga_9    
   O5    C1    O1     ga_9    
   C1    O1   +C4     ga_10   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   C4   -O1    C3    C5     gi_2    
   C4    C6    O5    C5     gi_2    
   C3    O3    C2    C4     gi_2    
   C2    O5    O1    C1     gi_2    
   C1    C3    O2    C2     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -C1   -O1    C4    C3     gd_30
  -O1    C4    C3    O3     gd_18
  -O1    C4    C3    C2     gd_17
   C5    C4    C3    O3     gd_17
   C5    C4    C3    C2     gd_34
  -O1    C4    C5    C6     gd_17
   C3    C4    C5    O5     gd_34
   C3    C4    C5    O5     gd_17
   C2    C3    O3   HO3     gd_30
   C4    C3    C2    O2     gd_17
   C4    C3    C2    C1     gd_34
   O3    C3    C2    O2     gd_18
   O3    C3    C2    C1     gd_17
   C1    C2    O2   HO2     gd_30
   C3    C2    C1    O5     gd_34
   C3    C2    C1    O5     gd_17
   C3    C2    C1    O1     gd_17
   O2    C2    C1    O1     gd_18
   C5    C6    O6   HO6     gd_30
   O6    C6    C5    C4     gd_1
   O6    C6    C5    O5     gd_3
   O6    C6    C5    O5     gd_35
   C4    C5    O5    C1     gd_29
   C5    O5    C1    C2     gd_29
   O5    C1    O1   +C4     gd_2
   O5    C1    O1   +C4     gd_32   

[ MANA ]
 [ atoms ]
   C4   CH1     0.23200     0
   C3   CH1     0.23200     1
   O3    OA    -0.64200     1
  HO3     H     0.41000     1
   C2   CH1     0.23200     2
   O2    OA    -0.64200     2
  HO2     H     0.41000     2
   C6   CH2     0.23200     3
   O6    OA    -0.64200     3
  HO6     H     0.41000     3
   C5   CH1     0.37600     4
   O5    OA    -0.48000     4
   C1   CH1       0.232     4
   O1    OA      -0.360     4
 [ bonds ]
   C4    C3    gb_26   
   C4    C5    gb_26   
   C3    O3    gb_20   
   C3    C2    gb_26   
   O3   HO3    gb_1    
   C2    O2    gb_20   
   C2    C1    gb_26   
   O2   HO2    gb_1    
   C6    O6    gb_20   
   C6    C5    gb_26   
   O6   HO6    gb_1    
   C5    O5    gb_20   
   O5    C1    gb_20   
   C1    O1    gb_20   
   O1   +C4    gb_20   
 [ angles ]
;  ai    aj    ak   gromos type
  -C1   -O1    C4     ga_10   
  -O1    C4    C3     ga_9    
  -O1    C4    C5     ga_9    
   C3    C4    C5     ga_8    
   C4    C3    O3     ga_9    
   C4    C3    C2     ga_8    
   O3    C3    C2     ga_9    
   C3    O3   HO3     ga_12   
   C3    C2    O2     ga_9    
   C3    C2    C1     ga_8    
   O2    C2    C1     ga_9    
   C2    O2   HO2     ga_12   
   O6    C6    C5     ga_9    
   C6    O6   HO6     ga_12   
   C4    C5    C6     ga_8    
   C4    C5    O5     ga_9    
   C6    C5    O5     ga_9    
   C5    O5    C1     ga_10   
   C2    C1    O5     ga_9    
   C2    C1    O1     ga_9    
   O5    C1    O1     ga_9    
   C1    O1   +C4     ga_10   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   C4    C6    O5    C5     gi_2    
   C3    O3    C2    C4     gi_2    
   C2    C3    O2    C1     gi_2    
   C5   -O1    C3    C4     gi_2    
   C1    O5    O1    C2     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -C1   -O1    C4    C3     gd_30
  -O1    C4    C3    O3     gd_18
  -O1    C4    C3    C2     gd_17
   C5    C4    C3    O3     gd_17
   C5    C4    C3    C2     gd_34
  -O1    C4    C5    C6     gd_17
   C3    C4    C5    O5     gd_34
   C3    C4    C5    O5     gd_17
   C2    C3    O3   HO3     gd_30
   C4    C3    C2    O2     gd_17
   C4    C3    C2    C1     gd_34
   O3    C3    C2    O2     gd_18
   O3    C3    C2    C1     gd_17
   C1    C2    O2   HO2     gd_30
   C3    C2    C1    O5     gd_34
   C3    C2    C1    O5     gd_17
   C3    C2    C1    O1     gd_17
   O2    C2    C1    O1     gd_18
   C5    C6    O6   HO6     gd_30
   O6    C6    C5    O5     gd_5
   O6    C6    C5    O5     gd_37
   C4    C5    O5    C1     gd_29
   C5    O5    C1    C2     gd_29
   O5    C1    O1   +C4     gd_6
   O5    C1    O1   +C4     gd_28

[ MANB ]
 [ atoms ]
   C4   CH1     0.23200     0
   C3   CH1     0.23200     1
   O3    OA    -0.64200     1
  HO3     H     0.41000     1
   C2   CH1     0.23200     2
   O2    OA    -0.64200     2
  HO2     H     0.41000     2
   C6   CH2     0.23200     3
   O6    OA    -0.64200     3
  HO6     H     0.41000     3
   C5   CH1     0.37600     4
   O5    OA    -0.48000     4
   C1   CH1       0.232     4
   O1    OA      -0.360     4
 [ bonds ]
   C4    C3    gb_26   
   C4    C5    gb_26   
   C3    O3    gb_20   
   C3    C2    gb_26   
   O3   HO3    gb_1    
   C2    O2    gb_20   
   C2    C1    gb_26   
   O2   HO2    gb_1    
   C6    O6    gb_20   
   C6    C5    gb_26   
   O6   HO6    gb_1    
   C5    O5    gb_20   
   O5    C1    gb_20   
   C1    O1    gb_20   
   O1   +C4    gb_20   
 [ angles ]
;  ai    aj    ak   gromos type
  -C1   -O1    C4     ga_10   
  -O1    C4    C3     ga_9    
  -O1    C4    C5     ga_9    
   C3    C4    C5     ga_8    
   C4    C3    O3     ga_9    
   C4    C3    C2     ga_8    
   O3    C3    C2     ga_9    
   C3    O3   HO3     ga_12   
   C3    C2    O2     ga_9    
   C3    C2    C1     ga_8    
   O2    C2    C1     ga_9    
   C2    O2   HO2     ga_12   
   O6    C6    C5     ga_9    
   C6    O6   HO6     ga_12   
   C4    C5    C6     ga_8    
   C4    C5    O5     ga_9    
   C6    C5    O5     ga_9    
   C5    O5    C1     ga_10   
   C2    C1    O5     ga_9    
   C2    C1    O1     ga_9    
   O5    C1    O1     ga_9    
   C1    O1   +C4     ga_10   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   C4    C6    O5    C5     gi_2    
   C3    O3    C2    C4     gi_2    
   C2    C3    O2    C1     gi_2    
   C2    O5    O1    C1     gi_2    
   C5   -O1    C3    C4     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -C1   -O1    C4    C3     gd_30
  -O1    C4    C3    O3     gd_18
  -O1    C4    C3    C2     gd_17
   C5    C4    C3    O3     gd_17
   C5    C4    C3    C2     gd_34
  -O1    C4    C5    C6     gd_17
   C3    C4    C5    O5     gd_34
   C3    C4    C5    O5     gd_17
   C2    C3    O3   HO3     gd_30
   C4    C3    C2    O2     gd_17
   C4    C3    C2    C1     gd_34
   O3    C3    C2    O2     gd_18
   O3    C3    C2    C1     gd_17
   C1    C2    O2   HO2     gd_30
   C3    C2    C1    O5     gd_34
   C3    C2    C1    O5     gd_17
   C3    C2    C1    O1     gd_17
   O2    C2    C1    O1     gd_18
   C5    C6    O6   HO6     gd_30
   O6    C6    C5    O5     gd_5
   O6    C6    C5    O5     gd_37
   C4    C5    O5    C1     gd_29
   C5    O5    C1    C2     gd_29
   O5    C1    O1   +C4     gd_2
   O5    C1    O1   +C4     gd_32

[ TRH ]
 [ atoms ]
  HO4     H     0.41000     0
   O4    OA    -0.64200     0
   C4   CH1     0.23200     0
   C3   CH1     0.23200     1
   O3    OA    -0.64200     1
  HO3     H     0.41000     1
   C2   CH1     0.23200     2
   O2    OA    -0.64200     2
  HO2     H     0.41000     2
   C6   CH1     0.23200     3
   O6    OA    -0.64200     3
  HO6     H     0.41000     3
   C5   CH1     0.37800     4
   O5    OA    -0.45000     4
   C1   CH1     0.24200     4
   O1    OA    -0.34000     4
  C1'   CH1     0.24200     4
  O5'    OA    -0.45000     4
  C5'   CH1     0.37800     4
  C4'   CH1     0.27500     5
  O4'    OA    -0.60000     5
 HO4'     H     0.47000     5
  C3'   CH1     0.23200     6
  O3'    OA    -0.64200     6
 HO3'     H     0.41000     6
  C2'   CH1     0.23200     7
  O2'    OA    -0.64200     7
 HO2'     H     0.41000     7
  C6'   CH1     0.23200     8
  O6'    OA    -0.64200     8
 HO6'     H     0.41000     8
 [ bonds ]
  HO4    O4    gb_1    
   O4    C4    gb_20   
   C4    C3    gb_26   
   C4    C5    gb_26   
   C3    O3    gb_20   
   C3    C2    gb_26   
   O3   HO3    gb_1    
   C2    O2    gb_20   
   C2    C1    gb_26   
   O2   HO2    gb_1    
   C6    O6    gb_20   
   C6    C5    gb_26   
   O6   HO6    gb_1    
   C5    O5    gb_20   
   O5    C1    gb_20   
   C1    O1    gb_20   
   O1   C1'    gb_20   
  C1'   O5'    gb_20   
  C1'   C2'    gb_26   
  O5'   C5'    gb_20   
  C5'   C4'    gb_26   
  C5'   C6'    gb_26   
  C4'   O4'    gb_20   
  C4'   C3'    gb_26   
  O4'  HO4'    gb_1    
  C3'   O3'    gb_20   
  C3'   C2'    gb_26   
  O3'  HO3'    gb_1    
  C2'   O2'    gb_20   
  O2'  HO2'    gb_1    
  C6'   O6'    gb_20   
  O6'  HO6'    gb_1    
 [ angles ]
;  ai    aj    ak   gromos type
  HO4    O4    C4     ga_12   
   O4    C4    C3     ga_9    
   O4    C4    C5     ga_9    
   C3    C4    C5     ga_8    
   C4    C3    O3     ga_9    
   C4    C3    C2     ga_8    
   O3    C3    C2     ga_9    
   C3    O3   HO3     ga_12   
   C3    C2    O2     ga_9    
   C3    C2    C1     ga_8    
   O2    C2    C1     ga_9    
   C2    O2   HO2     ga_12   
   O6    C6    C5     ga_9    
   C6    O6   HO6     ga_12   
   C4    C5    C6     ga_8    
   C4    C5    O5     ga_9    
   C6    C5    O5     ga_9    
   C5    O5    C1     ga_10   
   C2    C1    O5     ga_9    
   C2    C1    O1     ga_9    
   O5    C1    O1     ga_9    
   C1    O1   C1'     ga_10   
   O1   C1'   O5'     ga_9    
   O1   C1'   C2'     ga_9    
  O5'   C1'   C2'     ga_9    
  C1'   O5'   C5'     ga_10   
  O5'   C5'   C4'     ga_9    
  O5'   C5'   C6'     ga_9    
  C4'   C5'   C6'     ga_8    
  C5'   C4'   O4'     ga_9    
  C5'   C4'   C3'     ga_8    
  O4'   C4'   C3'     ga_9    
  C4'   O4'  HO4'     ga_12   
  C4'   C3'   O3'     ga_9    
  C4'   C3'   C2'     ga_8    
  O3'   C3'   C2'     ga_9    
  C3'   O3'  HO3'     ga_12   
  C1'   C2'   C3'     ga_8    
  C1'   C2'   O2'     ga_9    
  C3'   C2'   O2'     ga_9    
  C2'   O2'  HO2'     ga_12   
  C5'   C6'   O6'     ga_9    
  C6'   O6'  HO6'     ga_12   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   C4    C6    O5    C5     gi_2    
   C3    O3    C2    C4     gi_2    
   C5    O4    C3    C4     gi_2    
   C1    C3    O2    C2     gi_2    
   C1    O5    O1    C2     gi_2    
  C1'   C3'   O2'   C2'     gi_2    
  C5'   O5'   C6'   C4'     gi_2    
  C5'   O4'   C3'   C4'     gi_2    
  C3'   O3'   C2'   C4'     gi_2    
  C2'    O1   O5'   C1'     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  HO4    O4    C4    C3     gd_30   
   O4    C4    C3    O3     gd_18   
   O4    C4    C3    C2     gd_17   
   C4    C3    C2    C1     gd_34
   C5    C4    C3    O3     gd_17   
   C5    C4    C3    C2     gd_34   
   O4    C4    C5    C6     gd_17   
   C3    C4    C5    O5     gd_17   
   C2    C3    O3   HO3     gd_30   
   C4    C3    C2    O2     gd_17   
   O3    C3    C2    O2     gd_18   
   O3    C3    C2    C1     gd_17   
   C1    C2    O2   HO2     gd_30   
   C3    C2    C1    O5     gd_17   
   C3    C2    C1    O1     gd_17   
   O2    C2    C1    O1     gd_18   
   C5    C6    O6   HO6     gd_30   
   O6    C6    C5    O5     gd_5    
   O6    C6    C5    O5     gd_37   
   C4    C5    O5    C1     gd_29   
   C5    O5    C1    C2     gd_29   
   O5    C1    O1   C1'     gd_6    
   O5    C1    O1   C1'     gd_28   
   C1    O1   C1'   O5'     gd_6    
   C1    O1   C1'   O5'     gd_28   
  C2'   C1'   O5'   C5'     gd_29   
   O1   C1'   C2'   C3'     gd_17   
   O1   C1'   C2'   O2'     gd_18   
  O5'   C1'   C2'   C3'     gd_17   
  C1'   O5'   C5'   C4'     gd_29   
  O5'   C5'   C4'   C3'     gd_17   
  C6'   C5'   C4'   O4'     gd_17   
  O5'   C5'   C6'   O6'     gd_5    
  O5'   C5'   C6'   O6'     gd_37   
  C2'   C3'   O3'  HO3'     gd_30
  C3'   C4'   O4'  HO4'     gd_30   
  C5'   C4'   C3'   O3'     gd_17   
  C5'   C4'   C3'   C2'     gd_34   
  O4'   C4'   C3'   C2'     gd_17   
  O4'   C4'   C3'   O3'     gd_18   
  C4'   C3'   C2'   C1'     gd_34   
  C4'   C3'   C2'   O2'     gd_17   
  O3'   C3'   C2'   C1'     gd_17   
  O3'   C3'   C2'   O2'     gd_18   
  C1'   C2'   O2'  HO2'     gd_30   
  C5'   C6'   O6'  HO6'     gd_30   

[ UGLB ]
 [ atoms ]
   C4   CH1     0.23200     0
   C3   CH1     0.23200     1
   O3    OA    -0.64200     1
  HO3     H     0.41000     1
   C2   CH1     0.23200     2
   O2    OA    -0.64200     2
  HO2     H     0.41000     2
   C6     C     0.36000     3
  O61    OM    -0.68000     3
  O62    OM    -0.68000     3
   C5   CH1     0.37600     4
   O5    OA    -0.48000     4
   C1   CH1       0.232     4
   O1    OA      -0.360     4
 [ bonds ]
   C4    C3    gb_26   
   C4    C5    gb_26   
   C3    O3    gb_20   
   C3    C2    gb_26   
   O3   HO3    gb_1    
   C2    O2    gb_20   
   C2    C1    gb_26   
   O2   HO2    gb_1    
   C6   O61    gb_6    
   C6   O62    gb_6    
   C6    C5    gb_27   
   C5    O5    gb_20   
   O5    C1    gb_20   
   C1    O1    gb_20   
   O1   +C4    gb_20   
 [ angles ]
;  ai    aj    ak   gromos type
  -C1   -O1    C4     ga_10   
  -O1    C4    C3     ga_9    
  -O1    C4    C5     ga_9    
   C3    C4    C5     ga_8    
   C4    C3    O3     ga_9    
   C4    C3    C2     ga_8    
   O3    C3    C2     ga_9    
   C3    O3   HO3     ga_12   
   C3    C2    O2     ga_9    
   C3    C2    C1     ga_8    
   O2    C2    C1     ga_9    
   C2    O2   HO2     ga_12   
  O61    C6   O62     ga_38   
  O61    C6    C5     ga_22   
  O62    C6    C5     ga_22   
   C4    C5    C6     ga_8    
   C4    C5    O5     ga_9    
   C6    C5    O5     ga_9    
   C5    O5    C1     ga_10   
   C2    C1    O5     ga_9    
   C2    C1    O1     ga_9    
   O5    C1    O1     ga_9    
   C1    O1   +C4     ga_10   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   C4    C6    O5    C5     gi_2    
   C3    O3    C2    C4     gi_2    
   C2    O5    O1    C1     gi_2    
   C6   O61   O62    C5     gi_1    
   C5   -O1    C3    C4     gi_2    
   C1    C3    O2    C2     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -C1   -O1    C4    C3     gd_30
  -O1    C4    C3    O3     gd_18
  -O1    C4    C3    C2     gd_17
   C5    C4    C3    O3     gd_17
   C5    C4    C3    C2     gd_34
  -O1    C4    C5    C6     gd_17
   C3    C4    C5    O5     gd_34
   C3    C4    C5    O5     gd_17
   C2    C3    O3   HO3     gd_30
   C4    C3    C2    O2     gd_17
   C4    C3    C2    C1     gd_34
   O3    C3    C2    O2     gd_18
   O3    C3    C2    C1     gd_17
   C1    C2    O2   HO2     gd_30
   C3    C2    C1    O5     gd_34
   C3    C2    C1    O5     gd_17
   C3    C2    C1    O1     gd_17   
   O2    C2    C1    O1     gd_18
  O61    C6    C5    O5     gd_40
   C4    C5    O5    C1     gd_29
   C5    O5    C1    C2     gd_29
   O5    C1    O1   +C4     gd_2 
   O5    C1    O1   +C4     gd_32

[ UMNB ]
 [ atoms ]
   C4   CH1     0.23200     0
   C3   CH1     0.23200     1
   O3    OA    -0.64200     1
  HO3     H     0.41000     1
   C2   CH1     0.23200     2
   O2    OA    -0.64200     2
  HO2     H     0.41000     2
   C6     C     0.36000     3
  O61    OM    -0.68000     3
  O62    OM    -0.68000     3
   C5   CH1     0.37600     4
   O5    OA    -0.48000     4
   C1   CH1       0.232     4
   O1    OA      -0.360     4
 [ bonds ]
   C4    C3    gb_26   
   C4    C5    gb_26   
   C3    O3    gb_20   
   C3    C2    gb_26   
   O3   HO3    gb_1    
   C2    O2    gb_20   
   C2    C1    gb_26   
   O2   HO2    gb_1    
   C6   O61    gb_6    
   C6   O62    gb_6    
   C6    C5    gb_27   
   C5    O5    gb_20   
   O5    C1    gb_20   
   C1    O1    gb_20   
   O1   +C4    gb_20   
 [ angles ]
;  ai    aj    ak   gromos type
  -C1   -O1    C4     ga_10   
  -O1    C4    C3     ga_9    
  -O1    C4    C5     ga_9    
   C3    C4    C5     ga_8    
   C4    C3    O3     ga_9    
   C4    C3    C2     ga_8    
   O3    C3    C2     ga_9    
   C3    O3   HO3     ga_12   
   C3    C2    O2     ga_9    
   C3    C2    C1     ga_8    
   O2    C2    C1     ga_9    
   C2    O2   HO2     ga_12   
  O61    C6   O62     ga_38   
  O61    C6    C5     ga_22   
  O62    C6    C5     ga_22   
   C4    C5    C6     ga_8    
   C4    C5    O5     ga_9    
   C6    C5    O5     ga_9    
   C5    O5    C1     ga_10   
   C2    C1    O5     ga_9    
   C2    C1    O1     ga_9    
   O5    C1    O1     ga_9    
   C1    O1   +C4     ga_10   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   C4    C6    O5    C5     gi_2    
   C3    O3    C2    C4     gi_2    
   C2    C3    O2    C1     gi_2    
   C2    O5    O1    C1     gi_2    
   C6   O61   O62    C5     gi_1    
   C5   -O1    C3    C4     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -C1   -O1    C4    C3     gd_30   
  -O1    C4    C3    O3     gd_18   
  -O1    C4    C3    C2     gd_17   
   C5    C4    C3    O3     gd_17   
   C5    C4    C3    C2     gd_34   
  -O1    C4    C5    C6     gd_17   
   C3    C4    C5    O5     gd_34   
   C3    C4    C5    O5     gd_17   
   C2    C3    O3   HO3     gd_30   
   C4    C3    C2    O2     gd_17   
   C4    C3    C2    C1     gd_34   
   O3    C3    C2    O2     gd_18   
   O3    C3    C2    C1     gd_17   
   C1    C2    O2   HO2     gd_30   
   C3    C2    C1    O5     gd_34   
   C3    C2    C1    O5     gd_17   
   C3    C2    C1    O1     gd_17   
   O2    C2    C1    O1     gd_18   
  O61    C6    C5    O5     gd_40   
   C4    C5    O5    C1     gd_29   
   C5    O5    C1    C2     gd_29   
   O5    C1    O1   +C4     gd_2    
   O5    C1    O1   +C4     gd_32   

[ UGAA ]
 [ atoms ]
   C4   CH1     0.23200     0
   C3   CH1     0.23200     1
   O3    OA    -0.64200     1
  HO3     H     0.41000     1
   C2   CH1     0.23200     2
   O2    OA    -0.64200     2
  HO2     H     0.41000     2
   C6     C     0.36000     3
  O61    OM    -0.68000     3
  O62    OM    -0.68000     3
   C5   CH1     0.37600     4
   O5    OA    -0.48000     4
   C1   CH1       0.232     4
   O1    OA      -0.360     4
 [ bonds ]
   C4    C3    gb_26   
   C4    C5    gb_26   
   C3    O3    gb_20   
   C3    C2    gb_26   
   O3   HO3    gb_1    
   C2    O2    gb_20   
   C2    C1    gb_26   
   O2   HO2    gb_1    
   C6   O61    gb_6    
   C6   O62    gb_6    
   C6    C5    gb_27   
   C5    O5    gb_20   
   O5    C1    gb_20   
   C1    O1    gb_20   
   O1   +C4    gb_20   
 [ angles ]
;  ai    aj    ak   gromos type
  -C1   -O1    C4     ga_10   
  -O1    C4    C3     ga_9    
  -O1    C4    C5     ga_9    
   C3    C4    C5     ga_8    
   C4    C3    O3     ga_9    
   C4    C3    C2     ga_8    
   O3    C3    C2     ga_9    
   C3    O3   HO3     ga_12   
   C3    C2    O2     ga_9    
   C3    C2    C1     ga_8    
   O2    C2    C1     ga_9    
   C2    O2   HO2     ga_12   
  O61    C6   O62     ga_38   
  O61    C6    C5     ga_22   
  O62    C6    C5     ga_22   
   C4    C5    C6     ga_8    
   C4    C5    O5     ga_9    
   C6    C5    O5     ga_9    
   C5    O5    C1     ga_10   
   C2    C1    O5     ga_9    
   C2    C1    O1     ga_9    
   O5    C1    O1     ga_9    
   C1    O1   +C4     ga_10   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   C4   -O1    C3    C5     gi_2    
   C4    C6    O5    C5     gi_2    
   C3    O3    C2    C4     gi_2    
   C6   O61   O62    C5     gi_1    
   C1    C3    O2    C2     gi_2    
   C1    O5    O1    C2     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -C1   -O1    C4    C3     gd_30   
  -O1    C4    C3    O3     gd_18   
  -O1    C4    C3    C2     gd_17   
   C5    C4    C3    O3     gd_17   
   C5    C4    C3    C2     gd_34   
  -O1    C4    C5    C6     gd_17   
   C3    C4    C5    O5     gd_34   
   C3    C4    C5    O5     gd_17   
   C2    C3    O3   HO3     gd_30   
   C4    C3    C2    O2     gd_17   
   C4    C3    C2    C1     gd_34   
   O3    C3    C2    O2     gd_18   
   O3    C3    C2    C1     gd_17   
   C1    C2    O2   HO2     gd_30   
   C3    C2    C1    O5     gd_34   
   C3    C2    C1    O5     gd_17   
   C3    C2    C1    O1     gd_17   
   O2    C2    C1    O1     gd_18   
  O61    C6    C5    O5     gd_40   
   C4    C5    O5    C1     gd_29   
   C5    O5    C1    C2     gd_29   
   O5    C1    O1   +C4     gd_6    
   O5    C1    O1   +C4     gd_28   

[ UGUA ]
 [ atoms ]
   C4   CH1     0.23200     0
   C3   CH1     0.23200     1
   O3    OA    -0.64200     1
  HO3     H     0.41000     1
   C2   CH1     0.23200     2
   O2    OA    -0.64200     2
  HO2     H     0.41000     2
   C6     C     0.36000     3
  O61    OM    -0.68000     3
  O62    OM    -0.68000     3
   C5   CH1     0.37600     4
   O5    OA    -0.48000     4
   C1   CH1       0.232     4
   O1    OA      -0.360     4
 [ bonds ]
   C4    C3    gb_26   
   C4    C5    gb_26   
   C3    O3    gb_20   
   C3    C2    gb_26   
   O3   HO3    gb_1    
   C2    O2    gb_20   
   C2    C1    gb_26   
   O2   HO2    gb_1    
   C6   O61    gb_6    
   C6   O62    gb_6    
   C6    C5    gb_27   
   C5    O5    gb_20   
   O5    C1    gb_20   
   C1    O1    gb_20   
   O1   +C4    gb_20   
 [ angles ]
;  ai    aj    ak   gromos type
  -C1   -O1    C4     ga_10   
  -O1    C4    C3     ga_9    
  -O1    C4    C5     ga_9    
   C3    C4    C5     ga_8    
   C4    C3    O3     ga_9    
   C4    C3    C2     ga_8    
   O3    C3    C2     ga_9    
   C3    O3   HO3     ga_12   
   C3    C2    O2     ga_9    
   C3    C2    C1     ga_8    
   O2    C2    C1     ga_9    
   C2    O2   HO2     ga_12   
  O61    C6   O62     ga_38   
  O61    C6    C5     ga_22   
  O62    C6    C5     ga_22   
   C4    C5    C6     ga_8    
   C4    C5    O5     ga_9    
   C6    C5    O5     ga_9    
   C5    O5    C1     ga_10   
   C2    C1    O5     ga_9    
   C2    C1    O1     ga_9    
   O5    C1    O1     ga_9    
   C1    O1   +C4     ga_10   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   C4   -O1    C3    C5     gi_2    
   C4    O3    C2    C3     gi_2    
   C4    C6    O5    C5     gi_2    
   C6   O61   O62    C5     gi_1    
   C1    C3    O2    C2     gi_2    
   C1    O5    O1    C2     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -C1   -O1    C4    C3     gd_30
  -O1    C4    C3    O3     gd_18
  -O1    C4    C3    C2     gd_17
   C5    C4    C3    O3     gd_17
   C5    C4    C3    C2     gd_34
  -O1    C4    C5    C6     gd_17
   C3    C4    C5    O5     gd_34
   C3    C4    C5    O5     gd_17
   C2    C3    O3   HO3     gd_30
   C4    C3    C2    O2     gd_17
   C4    C3    C2    C1     gd_34
   O3    C3    C2    O2     gd_18
   O3    C3    C2    C1     gd_17
   C1    C2    O2   HO2     gd_30
   C3    C2    C1    O5     gd_34
   C3    C2    C1    O5     gd_17
   C3    C2    C1    O1     gd_17
   O2    C2    C1    O1     gd_18
  O61    C6    C5    O5     gd_40
   C4    C5    O5    C1     gd_29
   C5    O5    C1    C2     gd_29
   O5    C1    O1   +C4     gd_6
   O5    C1    O1   +C4     gd_28

[ DPPC ]
 [ atoms ]
  C33   CH3     0.25000     0
  C34   CH3     0.25000     0
  C35   CH3     0.25000     0
    N    NL     0.00000     0
  C32   CH2     0.25000     0
  C31   CH2     0.00000     1
  O32    OA    -0.36000     2
    P     P     0.99000     2
  O33    OM    -0.63500     2
  O34    OM    -0.63500     2
  O31    OA    -0.36000     2
   C3   CH2     0.00000     3
   C2   CH1     0.16000     4
  O21    OE    -0.36000     4
  C21     C     0.58000     4
  O22     O    -0.38000     4
  C22   CH2     0.00000     5
  C23   CH2     0.00000     5
  C24   CH2     0.00000     6
  C25   CH2     0.00000     6
  C26   CH2     0.00000     7
  C27   CH2     0.00000     7
  C28   CH2     0.00000     8
  C29   CH2     0.00000     8
 C210   CH2     0.00000     9
 C211   CH2     0.00000     9
 C212   CH2     0.00000    10
 C213   CH2     0.00000    10
 C214   CH2     0.00000    11
 C215   CH2     0.00000    11
 C216   CH3     0.00000    12
   C1   CH2     0.16000    13
  O11    OE    -0.36000    13
  C11     C     0.58000    13
  O12     O    -0.38000    13
  C12   CH2     0.00000    14
  C13   CH2     0.00000    14
  C14   CH2     0.00000    15
  C15   CH2     0.00000    15
  C16   CH2     0.00000    16
  C17   CH2     0.00000    16
  C18   CH2     0.00000    17
  C19   CH2     0.00000    17
 C110   CH2     0.00000    18
 C111   CH2     0.00000    18
 C112   CH2     0.00000    19
 C113   CH2     0.00000    19
 C114   CH2     0.00000    20
 C115   CH2     0.00000    20
 C116   CH3     0.00000    21
 [ bonds ]
  C33     N    gb_21   
  C34     N    gb_21   
  C35     N    gb_21   
    N   C32    gb_21   
  C32   C31    gb_27   
  C31   O32    gb_18   
  O32     P    gb_28   
    P   O33    gb_24   
    P   O34    gb_24   
    P   O31    gb_28   
  O31    C3    gb_18   
   C3    C2    gb_27   
   C2   O21    gb_18   
   C2    C1    gb_27   
  O21   C21    gb_10   
  C21   O22    gb_5    
  C21   C22    gb_23   
  C22   C23    gb_27   
  C23   C24    gb_27   
  C24   C25    gb_27   
  C25   C26    gb_27   
  C26   C27    gb_27   
  C27   C28    gb_27   
  C28   C29    gb_27   
  C29  C210    gb_27   
 C210  C211    gb_27   
 C211  C212    gb_27   
 C212  C213    gb_27   
 C213  C214    gb_27   
 C214  C215    gb_27   
 C215  C216    gb_27   
   C1   O11    gb_18   
  O11   C11    gb_10   
  C11   O12    gb_5    
  C11   C12    gb_23   
  C12   C13    gb_27   
  C13   C14    gb_27   
  C14   C15    gb_27   
  C15   C16    gb_27   
  C16   C17    gb_27   
  C17   C18    gb_27   
  C18   C19    gb_27   
  C19  C110    gb_27   
 C110  C111    gb_27   
 C111  C112    gb_27   
 C112  C113    gb_27   
 C113  C114    gb_27   
 C114  C115    gb_27   
 C115  C116    gb_27   
 [ angles ]
;  ai    aj    ak   gromos type
  C33     N   C34     ga_13   
  C33     N   C35     ga_13   
  C33     N   C32     ga_13   
  C34     N   C35     ga_13   
  C34     N   C32     ga_13   
  C35     N   C32     ga_13   
    N   C32   C31     ga_15   
  C32   C31   O32     ga_15   
  C31   O32     P     ga_26   
  O32     P   O33     ga_14   
  O32     P   O34     ga_14   
  O32     P   O31     ga_5    
  O33     P   O34     ga_29   
  O33     P   O31     ga_14   
  O34     P   O31     ga_14   
    P   O31    C3     ga_26   
  O31    C3    C2     ga_15   
   C3    C2   O21     ga_13   
   C3    C2    C1     ga_13   
  O21    C2    C1     ga_13   
   C2   O21   C21     ga_22   
  O21   C21   O22     ga_31   
  O21   C21   C22     ga_16   
  O22   C21   C22     ga_35   
  C21   C22   C23     ga_15   
  C22   C23   C24     ga_15   
  C23   C24   C25     ga_15   
  C24   C25   C26     ga_15   
  C25   C26   C27     ga_15   
  C26   C27   C28     ga_15   
  C27   C28   C29     ga_15   
  C28   C29  C210     ga_15   
  C29  C210  C211     ga_15   
 C210  C211  C212     ga_15   
 C211  C212  C213     ga_15   
 C212  C213  C214     ga_15   
 C213  C214  C215     ga_15   
 C214  C215  C216     ga_15   
   C2    C1   O11     ga_15   
   C1   O11   C11     ga_22   
  O11   C11   O12     ga_31   
  O11   C11   C12     ga_16   
  O12   C11   C12     ga_35   
  C11   C12   C13     ga_15   
  C12   C13   C14     ga_15   
  C13   C14   C15     ga_15   
  C14   C15   C16     ga_15   
  C15   C16   C17     ga_15   
  C16   C17   C18     ga_15   
  C17   C18   C19     ga_15   
  C18   C19  C110     ga_15   
  C19  C110  C111     ga_15   
 C110  C111  C112     ga_15   
 C111  C112  C113     ga_15   
 C112  C113  C114     ga_15   
 C113  C114  C115     ga_15   
 C114  C115  C116     ga_15   
 [ impropers ]
;  ai    aj    ak    al   gromos type
  O21    C3    C1    C2     gi_2    
  C21   O21   C22   O22     gi_1    
  C11   O11   C12   O12     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  C33     N   C32   C31     gd_29   
    N   C32   C31   O32     gd_4    
    N   C32   C31   O32     gd_36   
  C32   C31   O32     P     gd_29   
  C31   O32     P   O31     gd_20   
  C31   O32     P   O31     gd_27   
  O32     P   O31    C3     gd_20   
  O32     P   O31    C3     gd_27   
    P   O31    C3    C2     gd_29   
  O31    C3    C2    C1     gd_34   
   C3    C2   O21   C21     gd_29   
   C3    C2    C1   O11     gd_34   
   C2   O21   C21   C22     gd_13   
  O21   C21   C22   C23     gd_40   
  C21   C22   C23   C24     gd_34   
  C22   C23   C24   C25     gd_34   
  C23   C24   C25   C26     gd_34   
  C24   C25   C26   C27     gd_34   
  C25   C26   C27   C28     gd_34   
  C26   C27   C28   C29     gd_34   
  C27   C28   C29  C210     gd_34   
  C28   C29  C210  C211     gd_34   
  C29  C210  C211  C212     gd_34   
 C210  C211  C212  C213     gd_34   
 C211  C212  C213  C214     gd_34   
 C212  C213  C214  C215     gd_34   
 C213  C214  C215  C216     gd_34   
   C2    C1   O11   C11     gd_29   
   C1   O11   C11   C12     gd_13   
  O11   C11   C12   C13     gd_40   
  C11   C12   C13   C14     gd_34   
  C12   C13   C14   C15     gd_34   
  C13   C14   C15   C16     gd_34   
  C14   C15   C16   C17     gd_34   
  C15   C16   C17   C18     gd_34   
  C16   C17   C18   C19     gd_34   
  C17   C18   C19  C110     gd_34   
  C18   C19  C110  C111     gd_34   
  C19  C110  C111  C112     gd_34   
 C110  C111  C112  C113     gd_34   
 C111  C112  C113  C114     gd_34   
 C112  C113  C114  C115     gd_34   
 C113  C114  C115  C116     gd_34   

[ HEME ]
 [ atoms ]
   FE    FE     0.40000     0
   NA    NR    -0.10000     0
   NB    NR    -0.10000     0
   NC    NR    -0.10000     0
   ND    NR    -0.10000     0
  CHA     C    -0.10000     1
  HHA    HC     0.10000     1
  C1A     C     0.00000     2
  C2A     C     0.00000     2
  C3A     C     0.00000     2
  C4A     C     0.00000     2
  CMA   CH3     0.00000     3
  CAA   CH2     0.00000     4
  CBA   CH2     0.00000     4
  CGA     C     0.27000     5
  O1A    OM    -0.63500     5
  O2A    OM    -0.63500     5
  CHB     C    -0.10000     6
  HHB    HC     0.10000     6
  C1B     C     0.00000     7
  C2B     C     0.00000     7
  C3B     C     0.00000     7
  C4B     C     0.00000     7
  CMB   CH3     0.00000     8
  CAB   CR1     0.00000     9
  CBB   CH2     0.00000     9
  CHC     C    -0.10000    10
  HHC    HC     0.10000    10
  C1C     C     0.00000    11
  C2C     C     0.00000    11
  C3C     C     0.00000    11
  C4C     C     0.00000    11
  CMC   CH3     0.00000    12
  CAC   CR1     0.00000    13
  CBC   CH2     0.00000    13
  CHD     C    -0.10000    14
  HHD    HC     0.10000    14
  C1D     C     0.00000    15
  C2D     C     0.00000    15
  C3D     C     0.00000    15
  C4D     C     0.00000    15
  CMD   CH3     0.00000    16
  CAD   CH2     0.00000    17
  CBD   CH2     0.00000    17
  CGD     C     0.27000    18
  O1D    OM    -0.63500    18
  O2D    OM    -0.63500    18
 [ bonds ]
   FE    NA    gb_35   
   FE    NB    gb_35   
   FE    NC    gb_35   
   FE    ND    gb_35   
   NA   C1A    gb_14   
   NA   C4A    gb_14   
   NB   C1B    gb_14   
   NB   C4B    gb_14   
   NC   C1C    gb_14   
   NC   C4C    gb_14   
   ND   C1D    gb_14   
   ND   C4D    gb_14   
  CHA   HHA    gb_3    
  CHA   C1A    gb_17   
  CHA   C4D    gb_17   
  C1A   C2A    gb_17   
  C2A   C3A    gb_17   
  C2A   CAA    gb_27   
  C3A   C4A    gb_17   
  C3A   CMA    gb_27   
  C4A   CHB    gb_17   
  CAA   CBA    gb_27   
  CBA   CGA    gb_27   
  CGA   O1A    gb_6    
  CGA   O2A    gb_6    
  CHB   HHB    gb_3    
  CHB   C1B    gb_17   
  C1B   C2B    gb_17   
  C2B   C3B    gb_17   
  C2B   CMB    gb_27   
  C3B   C4B    gb_17   
  C3B   CAB    gb_27   
  C4B   CHC    gb_17   
  CAB   CBB    gb_12   
  CHC   HHC    gb_3    
  CHC   C1C    gb_17   
  C1C   C2C    gb_17   
  C2C   C3C    gb_17   
  C2C   CMC    gb_27   
  C3C   C4C    gb_17   
  C3C   CAC    gb_27   
  C4C   CHD    gb_17   
  CAC   CBC    gb_12   
  CHD   HHD    gb_3    
  CHD   C1D    gb_17   
  C1D   C2D    gb_17   
  C2D   C3D    gb_17   
  C2D   CMD    gb_27   
  C3D   C4D    gb_17   
  C3D   CAD    gb_27   
  CAD   CBD    gb_27   
  CBD   CGD    gb_27   
  CGD   O1D    gb_6    
  CGD   O2D    gb_6    
 [ exclusions ]
;  ai    aj
   FE   CHA
   FE   C2A
   FE   C3A
   FE   CHB
   FE   C2B
   FE   C3B
   FE   CHC
   FE   C2C
   FE   C3C
   FE   CHD
   FE   C2D
   FE   C3D
   NA   HHA
   NA   CMA
   NA   CAA
   NA   HHB
   NA   C1B
   NA   C4B
   NA   C1C
   NA   C4C
   NA   C1D
   NA   C4D
   NB   C1A
   NB   C4A
   NB   HHB
   NB   CMB
   NB   CAB
   NB   HHC
   NB   C1C
   NB   C4C
   NB   C1D
   NB   C4D
   NC   C1A
   NC   C4A
   NC   C1B
   NC   C4B
   NC   HHC
   NC   CMC
   NC   CAC
   NC   HHD
   NC   C1D
   NC   C4D
   ND   HHA
   ND   C1A
   ND   C4A
   ND   C1B
   ND   C4B
   ND   C1C
   ND   C4C
   ND   HHD
   ND   CMD
   ND   CAD
  CHA   C3A
  CHA   C4A
  CHA   CAA
  CHA   C1D
  CHA   C2D
  CHA   CAD
  HHA   C2A
  HHA   C3D
  C1A   CMA
  C1A   CHB
  C1A   C3D
  C2A   CHB
  C3A   HHB
  C3A   C1B
  C4A   CAA
  C4A   C2B
  CMA   CAA
  CMA   CHB
  CHB   C3B
  CHB   C4B
  CHB   CMB
  HHB   C2B
  C1B   CAB
  C1B   CHC
  C2B   CHC
  C3B   HHC
  C3B   C1C
  C4B   CMB
  C4B   C2C
  CMB   CAB
  CAB   CHC
  CHC   C3C
  CHC   C4C
  CHC   CMC
  HHC   C2C
  C1C   CAC
  C1C   CHD
  C2C   CHD
  C3C   HHD
  C3C   C1D
  C4C   CMC
  C4C   C2D
  CMC   CAC
  CAC   CHD
  CHD   C3D
  CHD   C4D
  CHD   CMD
  HHD   C2D
  C1D   CAD
  C4D   CMD
  CMD   CAD
 [ angles ]
;  ai    aj    ak   gromos type
   NA    FE    NB     ga_2    
   NA    FE    ND     ga_2    
   NB    FE    NC     ga_2    
   NC    FE    ND     ga_2    
   FE    NA   C1A     ga_36   
   FE    NA   C4A     ga_36   
  C1A    NA   C4A     ga_6    
   FE    NB   C1B     ga_36   
   FE    NB   C4B     ga_36   
  C1B    NB   C4B     ga_6    
   FE    NC   C1C     ga_36   
   FE    NC   C4C     ga_36   
  C1C    NC   C4C     ga_6    
   FE    ND   C1D     ga_36   
   FE    ND   C4D     ga_36   
  C1D    ND   C4D     ga_6    
  HHA   CHA   C1A     ga_20   
  HHA   CHA   C4D     ga_20   
  C1A   CHA   C4D     ga_37   
   NA   C1A   CHA     ga_33   
   NA   C1A   C2A     ga_15   
  CHA   C1A   C2A     ga_38   
  C1A   C2A   C3A     ga_7    
  C1A   C2A   CAA     ga_37   
  C3A   C2A   CAA     ga_37   
  C2A   C3A   C4A     ga_7    
  C2A   C3A   CMA     ga_37   
  C4A   C3A   CMA     ga_37   
   NA   C4A   C3A     ga_15   
   NA   C4A   CHB     ga_33   
  C3A   C4A   CHB     ga_38   
  C2A   CAA   CBA     ga_15   
  CAA   CBA   CGA     ga_15   
  CBA   CGA   O1A     ga_22   
  CBA   CGA   O2A     ga_22   
  O1A   CGA   O2A     ga_38   
  C4A   CHB   HHB     ga_20   
  C4A   CHB   C1B     ga_37   
  HHB   CHB   C1B     ga_20   
   NB   C1B   CHB     ga_33   
   NB   C1B   C2B     ga_15   
  CHB   C1B   C2B     ga_38   
  C1B   C2B   C3B     ga_7    
  C1B   C2B   CMB     ga_37   
  C3B   C2B   CMB     ga_37   
  C2B   C3B   C4B     ga_7    
  C2B   C3B   CAB     ga_37   
  C4B   C3B   CAB     ga_37   
   NB   C4B   C3B     ga_15   
   NB   C4B   CHC     ga_33   
  C3B   C4B   CHC     ga_38   
  C3B   CAB   CBB     ga_37   
  C4B   CHC   HHC     ga_20   
  C4B   CHC   C1C     ga_37   
  HHC   CHC   C1C     ga_20   
   NC   C1C   CHC     ga_33   
   NC   C1C   C2C     ga_15   
  CHC   C1C   C2C     ga_38   
  C1C   C2C   C3C     ga_7    
  C1C   C2C   CMC     ga_37   
  C3C   C2C   CMC     ga_37   
  C2C   C3C   C4C     ga_7    
  C2C   C3C   CAC     ga_37   
  C4C   C3C   CAC     ga_37   
   NC   C4C   C3C     ga_15   
   NC   C4C   CHD     ga_33   
  C3C   C4C   CHD     ga_38   
  C3C   CAC   CBC     ga_37   
  C4C   CHD   HHD     ga_20   
  C4C   CHD   C1D     ga_37   
  HHD   CHD   C1D     ga_20   
   ND   C1D   CHD     ga_33   
   ND   C1D   C2D     ga_15   
  CHD   C1D   C2D     ga_38   
  C1D   C2D   C3D     ga_7    
  C1D   C2D   CMD     ga_37   
  C3D   C2D   CMD     ga_37   
  C2D   C3D   C4D     ga_7    
  C2D   C3D   CAD     ga_37   
  C4D   C3D   CAD     ga_37   
   ND   C4D   CHA     ga_33   
   ND   C4D   C3D     ga_15   
  CHA   C4D   C3D     ga_38   
  C3D   CAD   CBD     ga_15   
  CAD   CBD   CGD     ga_15   
  CBD   CGD   O1D     ga_22   
  CBD   CGD   O2D     ga_22   
  O1D   CGD   O2D     ga_38   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   FE   C1A   C4A    NA     gi_3    
   FE   C1B   C4B    NB     gi_3    
   FE   C1C   C4C    NC     gi_3    
   FE   C1D   C4D    ND     gi_3    
   NA   C1A   C2A   C3A     gi_1    
   NB   C1B   C2B   C3B     gi_1    
   NC   C1C   C2C   C3C     gi_1    
   ND   C1D   C2D   C3D     gi_1    
  CHA    NA   C2A   C1A     gi_1    
  CHA    ND   C3D   C4D     gi_1    
  HHA   C1A   C4D   CHA     gi_1    
  C1A    NA   C4A   C3A     gi_1    
  C1A   C2A   C3A   C4A     gi_1    
  C2A   C1A   C3A   CAA     gi_1    
  C2A   C3A   C4A    NA     gi_1    
  C3A   C2A   C4A   CMA     gi_1    
  C4A    NA   C1A   C2A     gi_1    
  CBA   O1A   O2A   CGA     gi_1    
  CHB    NA   C3A   C4A     gi_1    
  CHB    NB   C2B   C1B     gi_1    
  CHB   C4A   C1B   HHB     gi_1    
  C1B    NB   C4B   C3B     gi_1    
  C1B   C2B   C3B   C4B     gi_1    
  C2B   C1B   C3B   CMB     gi_1    
  C2B   C3B   C4B    NB     gi_1    
  C3B   C2B   C4B   CAB     gi_1    
  C4B    NB   C1B   C2B     gi_1    
  CHC    NB   C3B   C4B     gi_1    
  CHC    NC   C2C   C1C     gi_1    
  CHC   C4B   C1C   HHC     gi_1    
  C1C    NC   C4C   C3C     gi_1    
  C1C   C2C   C3C   C4C     gi_1    
  C2C   C1C   C3C   CMC     gi_1    
  C2C   C3C   C4C    NC     gi_1    
  C3C   C2C   C4C   CAC     gi_1    
  C4C    NC   C1C   C2C     gi_1    
  CHD    NC   C3C   C4C     gi_1    
  CHD    ND   C2D   C1D     gi_1    
  CHD   C4C   C1D   HHD     gi_1    
  C1D    ND   C4D   C3D     gi_1    
  C1D   C2D   C3D   C4D     gi_1    
  C2D   C1D   C3D   CMD     gi_1    
  C2D   C3D   C4D    ND     gi_1    
  C3D   C2D   C4D   CAD     gi_1    
  C4D    ND   C1D   C2D     gi_1    
  CBD   O1D   O2D   CGD     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  C4D   CHA   C1A    NA     gd_15   
  C1A   CHA   C4D    ND     gd_15   
  C1A   C2A   CAA   CBA     gd_40   
   NA   C4A   CHB   C1B     gd_15   
  C2A   CAA   CBA   CGA     gd_34   
  CAA   CBA   CGA   O1A     gd_40   
  C4A   CHB   C1B    NB     gd_15   
  C2B   C3B   CAB   CBB     gd_9    
   NB   C4B   CHC   C1C     gd_15   
  C4B   CHC   C1C    NC     gd_15   
  C2C   C3C   CAC   CBC     gd_9    
   NC   C4C   CHD   C1D     gd_15   
  C4C   CHD   C1D    ND     gd_15   
  C2D   C3D   CAD   CBD     gd_40   
  C3D   CAD   CBD   CGD     gd_34   
  CAD   CBD   CGD   O1D     gd_40   

[ HEMC ]
 [ atoms ]
   FE    FE     0.40000     0
   NA    NR    -0.10000     0
   NB    NR    -0.10000     0
   NC    NR    -0.10000     0
   ND    NR    -0.10000     0
  CHA     C    -0.10000     1
  HHA    HC     0.10000     1
  C1A     C     0.00000     2
  C2A     C     0.00000     2
  C3A     C     0.00000     2
  C4A     C     0.00000     2
  CMA   CH3     0.00000     3
  CAA   CH2     0.00000     4
  CBA   CH2     0.00000     4
  CGA     C     0.27000     5
  O1A    OM    -0.63500     5
  O2A    OM    -0.63500     5
  CHB     C    -0.10000     6
  HHB    HC     0.10000     6
  C1B     C     0.00000     7
  C2B     C     0.00000     7
  C3B     C     0.00000     7
  C4B     C     0.00000     7
  CMB   CH3     0.00000     8
  CAB   CR1     0.00000     9
  CBB   CH2     0.00000     9
  CHC     C    -0.10000    10
  HHC    HC     0.10000    10
  C1C     C     0.00000    11
  C2C     C     0.00000    11
  C3C     C     0.00000    11
  C4C     C     0.00000    11
  CMC   CH3     0.00000    12
  CAC   CR1     0.00000    13
  CBC   CH2     0.00000    13
  CHD     C    -0.10000    14
  HHD    HC     0.10000    14
  C1D     C     0.00000    15
  C2D     C     0.00000    15
  C3D     C     0.00000    15
  C4D     C     0.00000    15
  CMD   CH3     0.00000    16
  CAD   CH2     0.00000    17
  CBD   CH2     0.00000    17
  CGD     C     0.27000    18
  O1D    OM    -0.63500    18
  O2D    OM    -0.63500    18
  C1O     C     0.00000    19
  O1C     O     0.00000    19
 [ bonds ]
   FE    NA    gb_35   
   FE    NB    gb_35   
   FE    NC    gb_35   
   FE    ND    gb_35   
   FE   C1O    gb_30   
   NA   C1A    gb_14   
   NA   C4A    gb_14   
   NB   C1B    gb_14   
   NB   C4B    gb_14   
   NC   C1C    gb_14   
   NC   C4C    gb_14   
   ND   C1D    gb_14   
   ND   C4D    gb_14   
  CHA   HHA    gb_3    
  CHA   C1A    gb_17   
  CHA   C4D    gb_17   
  C1A   C2A    gb_17   
  C2A   C3A    gb_17   
  C2A   CAA    gb_27   
  C3A   C4A    gb_17   
  C3A   CMA    gb_27   
  C4A   CHB    gb_17   
  CAA   CBA    gb_27   
  CBA   CGA    gb_27   
  CGA   O1A    gb_6    
  CGA   O2A    gb_6    
  CHB   HHB    gb_3    
  CHB   C1B    gb_17   
  C1B   C2B    gb_17   
  C2B   C3B    gb_17   
  C2B   CMB    gb_27   
  C3B   C4B    gb_17   
  C3B   CAB    gb_27   
  C4B   CHC    gb_17   
  CAB   CBB    gb_12   
  CHC   HHC    gb_3    
  CHC   C1C    gb_17   
  C1C   C2C    gb_17   
  C2C   C3C    gb_17   
  C2C   CMC    gb_27   
  C3C   C4C    gb_17   
  C3C   CAC    gb_27   
  C4C   CHD    gb_17   
  CAC   CBC    gb_12   
  CHD   HHD    gb_3    
  CHD   C1D    gb_17   
  C1D   C2D    gb_17   
  C2D   C3D    gb_17   
  C2D   CMD    gb_27   
  C3D   C4D    gb_17   
  C3D   CAD    gb_27   
  CAD   CBD    gb_27   
  CBD   CGD    gb_27   
  CGD   O1D    gb_6    
  CGD   O2D    gb_6    
  C1O   O1C    gb_4    
 [ exclusions ]
;  ai    aj
   FE   CHA
   FE   C2A
   FE   C3A
   FE   CHB
   FE   C2B
   FE   C3B
   FE   CHC
   FE   C2C
   FE   C3C
   FE   CHD
   FE   C2D
   FE   C3D
   NA   HHA
   NA   CMA
   NA   CAA
   NA   HHB
   NA   C1B
   NA   C4B
   NA   C1C
   NA   C4C
   NA   C1D
   NA   C4D
   NA   O1C
   NB   C1A
   NB   C4A
   NB   HHB
   NB   CMB
   NB   CAB
   NB   HHC
   NB   C1C
   NB   C4C
   NB   C1D
   NB   C4D
   NB   O1C
   NC   C1A
   NC   C4A
   NC   C1B
   NC   C4B
   NC   HHC
   NC   CMC
   NC   CAC
   NC   HHD
   NC   C1D
   NC   C4D
   NC   O1C
   ND   HHA
   ND   C1A
   ND   C4A
   ND   C1B
   ND   C4B
   ND   C1C
   ND   C4C
   ND   HHD
   ND   CMD
   ND   CAD
   ND   O1C
  CHA   C3A
  CHA   C4A
  CHA   CAA
  CHA   C1D
  CHA   C2D
  CHA   CAD
  HHA   C2A
  HHA   C3D
  C1A   CMA
  C1A   CHB
  C1A   C3D
  C1A   C1O
  C2A   CHB
  C3A   HHB
  C3A   C1B
  C4A   CAA
  C4A   C2B
  C4A   C1O
  CMA   CAA
  CMA   CHB
  CHB   C3B
  CHB   C4B
  CHB   CMB
  HHB   C2B
  C1B   CAB
  C1B   CHC
  C1B   C1O
  C2B   CHC
  C3B   HHC
  C3B   C1C
  C4B   CMB
  C4B   C2C
  C4B   C1O
  CMB   CAB
  CAB   CHC
  CHC   C3C
  CHC   C4C
  CHC   CMC
  HHC   C2C
  C1C   CAC
  C1C   CHD
  C1C   C1O
  C2C   CHD
  C3C   HHD
  C3C   C1D
  C4C   CMC
  C4C   C2D
  C4C   C1O
  CMC   CAC
  CAC   CHD
  CHD   C3D
  CHD   C4D
  CHD   CMD
  HHD   C2D
  C1D   CAD
  C1D   C1O
  C4D   CMD
  C4D   C1O
  CMD   CAD
 [ angles ]
;  ai    aj    ak   gromos type
   NA    FE    NB     ga_2    
   NA    FE    ND     ga_2    
   NA    FE   C1O     ga_1    
   NB    FE    NC     ga_2    
   NB    FE   C1O     ga_1    
   NC    FE    ND     ga_2    
   NC    FE   C1O     ga_1    
   ND    FE   C1O     ga_1    
   FE    NA   C1A     ga_36   
   FE    NA   C4A     ga_36   
  C1A    NA   C4A     ga_6    
   FE    NB   C1B     ga_36   
   FE    NB   C4B     ga_36   
  C1B    NB   C4B     ga_6    
   FE    NC   C1C     ga_36   
   FE    NC   C4C     ga_36   
  C1C    NC   C4C     ga_6    
   FE    ND   C1D     ga_36   
   FE    ND   C4D     ga_36   
  C1D    ND   C4D     ga_6    
  HHA   CHA   C1A     ga_20   
  HHA   CHA   C4D     ga_20   
  C1A   CHA   C4D     ga_37   
   NA   C1A   CHA     ga_33   
   NA   C1A   C2A     ga_15   
  CHA   C1A   C2A     ga_38   
  C1A   C2A   C3A     ga_7    
  C1A   C2A   CAA     ga_37   
  C3A   C2A   CAA     ga_37   
  C2A   C3A   C4A     ga_7    
  C2A   C3A   CMA     ga_37   
  C4A   C3A   CMA     ga_37   
   NA   C4A   C3A     ga_15   
   NA   C4A   CHB     ga_33   
  C3A   C4A   CHB     ga_38   
  C2A   CAA   CBA     ga_15   
  CAA   CBA   CGA     ga_15   
  CBA   CGA   O1A     ga_22   
  CBA   CGA   O2A     ga_22   
  O1A   CGA   O2A     ga_38   
  C4A   CHB   HHB     ga_20   
  C4A   CHB   C1B     ga_37   
  HHB   CHB   C1B     ga_20   
   NB   C1B   CHB     ga_33   
   NB   C1B   C2B     ga_15   
  CHB   C1B   C2B     ga_38   
  C1B   C2B   C3B     ga_7    
  C1B   C2B   CMB     ga_37   
  C3B   C2B   CMB     ga_37   
  C2B   C3B   C4B     ga_7    
  C2B   C3B   CAB     ga_37   
  C4B   C3B   CAB     ga_37   
   NB   C4B   C3B     ga_15   
   NB   C4B   CHC     ga_33   
  C3B   C4B   CHC     ga_38   
  C3B   CAB   CBB     ga_37   
  C4B   CHC   HHC     ga_20   
  C4B   CHC   C1C     ga_37   
  HHC   CHC   C1C     ga_20   
   NC   C1C   CHC     ga_33   
   NC   C1C   C2C     ga_15   
  CHC   C1C   C2C     ga_38   
  C1C   C2C   C3C     ga_7    
  C1C   C2C   CMC     ga_37   
  C3C   C2C   CMC     ga_37   
  C2C   C3C   C4C     ga_7    
  C2C   C3C   CAC     ga_37   
  C4C   C3C   CAC     ga_37   
   NC   C4C   C3C     ga_15   
   NC   C4C   CHD     ga_33   
  C3C   C4C   CHD     ga_38   
  C3C   CAC   CBC     ga_37   
  C4C   CHD   HHD     ga_20   
  C4C   CHD   C1D     ga_37   
  HHD   CHD   C1D     ga_20   
   ND   C1D   CHD     ga_33   
   ND   C1D   C2D     ga_15   
  CHD   C1D   C2D     ga_38   
  C1D   C2D   C3D     ga_7    
  C1D   C2D   CMD     ga_37   
  C3D   C2D   CMD     ga_37   
  C2D   C3D   C4D     ga_7    
  C2D   C3D   CAD     ga_37   
  C4D   C3D   CAD     ga_37   
   ND   C4D   CHA     ga_33   
   ND   C4D   C3D     ga_15   
  CHA   C4D   C3D     ga_38   
  C3D   CAD   CBD     ga_15   
  CAD   CBD   CGD     ga_15   
  CBD   CGD   O1D     ga_22   
  CBD   CGD   O2D     ga_22   
  O1D   CGD   O2D     ga_38   
   FE   C1O   O1C     ga_41   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   FE   C1A   C4A    NA     gi_3    
   FE   C1B   C4B    NB     gi_3    
   FE   C1C   C4C    NC     gi_3    
   FE   C1D   C4D    ND     gi_3    
   NA   C1A   C2A   C3A     gi_1    
   NB   C1B   C2B   C3B     gi_1    
   NC   C1C   C2C   C3C     gi_1    
   ND   C1D   C2D   C3D     gi_1    
  CHA    NA   C2A   C1A     gi_1    
  CHA    ND   C3D   C4D     gi_1    
  HHA   C1A   C4D   CHA     gi_1    
  C1A    NA   C4A   C3A     gi_1    
  C1A   C2A   C3A   C4A     gi_1    
  C2A   C1A   C3A   CAA     gi_1    
  C2A   C3A   C4A    NA     gi_1    
  C3A   C2A   C4A   CMA     gi_1    
  C4A    NA   C1A   C2A     gi_1    
  CBA   O1A   O2A   CGA     gi_1    
  CHB    NA   C3A   C4A     gi_1    
  CHB    NB   C2B   C1B     gi_1    
  CHB   C4A   C1B   HHB     gi_1    
  C1B    NB   C4B   C3B     gi_1    
  C1B   C2B   C3B   C4B     gi_1    
  C2B   C1B   C3B   CMB     gi_1    
  C2B   C3B   C4B    NB     gi_1    
  C3B   C2B   C4B   CAB     gi_1    
  C4B    NB   C1B   C2B     gi_1    
  CHC    NB   C3B   C4B     gi_1    
  CHC    NC   C2C   C1C     gi_1    
  CHC   C4B   C1C   HHC     gi_1    
  C1C    NC   C4C   C3C     gi_1    
  C1C   C2C   C3C   C4C     gi_1    
  C2C   C1C   C3C   CMC     gi_1    
  C2C   C3C   C4C    NC     gi_1    
  C3C   C2C   C4C   CAC     gi_1    
  C4C    NC   C1C   C2C     gi_1    
  CHD    NC   C3C   C4C     gi_1    
  CHD    ND   C2D   C1D     gi_1    
  CHD   C4C   C1D   HHD     gi_1    
  C1D    ND   C4D   C3D     gi_1    
  C1D   C2D   C3D   C4D     gi_1    
  C2D   C1D   C3D   CMD     gi_1    
  C2D   C3D   C4D    ND     gi_1    
  C3D   C2D   C4D   CAD     gi_1    
  C4D    ND   C1D   C2D     gi_1    
  CBD   O1D   O2D   CGD     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  C4D   CHA   C1A    NA     gd_15   
  C1A   CHA   C4D    ND     gd_15   
  C1A   C2A   CAA   CBA     gd_40   
   NA   C4A   CHB   C1B     gd_15   
  C2A   CAA   CBA   CGA     gd_34   
  CAA   CBA   CGA   O1A     gd_40   
  C4A   CHB   C1B    NB     gd_15   
  C2B   C3B   CAB   CBB     gd_9    
   NB   C4B   CHC   C1C     gd_15   
  C4B   CHC   C1C    NC     gd_15   
  C2C   C3C   CAC   CBC     gd_9    
   NC   C4C   CHD   C1D     gd_15   
  C4C   CHD   C1D    ND     gd_15   
  C2D   C3D   CAD   CBD     gd_40   
  C3D   CAD   CBD   CGD     gd_34   
  CAD   CBD   CGD   O1D     gd_40   

[ CYTa ]
 [ atoms ]
  C4*   CH1     0.16000     0
  O4*    OA    -0.36000     0
  C1*   CH1     0.20000     0
   N1    NR    -0.20000     1
   C6   CR1     0.20000     1
   C2     C     0.38000     2
   O2     O    -0.38000     2
   N3    NR    -0.36000     3
   C4     C     0.36000     3
   N4    NT    -0.83000     4
  H41     H     0.41500     4
  H42     H     0.41500     4
   C5   CR1     0.00000     5
  C2*   CH1     0.15000     6
  O2*    OA    -0.54800     6
  H2*     H     0.39800     6
  C3*   CH1     0.00000     7
  O3*    OA    -0.36000     8
  SI1     P     0.54000     8
  OSI    OA    -0.36000     8
  SI2     P     0.54000     8
  O5*    OA    -0.36000     8
  C5*  CH2r     0.00000     9
  C11   CH1     0.00000    10
 C111   CH3     0.00000    10
 C112   CH3     0.00000    10
  C12   CH1     0.00000    11
 C121   CH3     0.00000    11
 C122   CH3     0.00000    11
  C21   CH1     0.00000    12
 C211   CH3     0.00000    12
 C212   CH3     0.00000    12
  C22   CH1     0.00000    13
 C221   CH3     0.00000    13
 C222   CH3     0.00000    13
 [ bonds ]
  C4*   O4*    gb_20   
  C4*   C3*    gb_26   
  C4*   C5*    gb_26   
  O4*   C1*    gb_20   
  C1*    N1    gb_23   
  C1*   C2*    gb_26   
   N1    C6    gb_17   
   N1    C2    gb_17   
   C6    C5    gb_16   
   C2    O2    gb_5    
   C2    N3    gb_12   
   N3    C4    gb_12   
   C4    N4    gb_9    
   C4    C5    gb_16   
   N4   H41    gb_2    
   N4   H42    gb_2    
  C2*   O2*    gb_20   
  C2*   C3*    gb_26   
  O2*   H2*    gb_1    
  C3*   O3*    gb_20   
  O3*   SI1    gb_29   
  SI1   OSI    gb_29   
  SI1   C11    gb_33   
  SI1   C12    gb_33   
  OSI   SI2    gb_29   
  SI2   O5*    gb_29   
  SI2   C21    gb_33   
  SI2   C22    gb_33   
  O5*   C5*    gb_20   
  C11  C111    gb_27   
  C11  C112    gb_27   
  C12  C121    gb_27   
  C12  C122    gb_27   
  C21  C211    gb_27   
  C21  C212    gb_27   
  C22  C221    gb_27   
  C22  C222    gb_27   
 [ exclusions ]
;  ai    aj
  C1*    O2
  C1*    N3
  C1*    C5
   N1    C4
   C6    O2
   C6    N3
   C6    N4
   C2    N4
   C2    C5
   O2    C4
 [ angles ]
;  ai    aj    ak   gromos type
  O4*   C4*   C3*     ga_9    
  O4*   C4*   C5*     ga_9    
  C3*   C4*   C5*     ga_8    
  C4*   O4*   C1*     ga_10   
  O4*   C1*    N1     ga_9    
  O4*   C1*   C2*     ga_9    
   N1   C1*   C2*     ga_8    
  C1*    N1    C6     ga_27   
  C1*    N1    C2     ga_27   
   C6    N1    C2     ga_27   
   N1    C6    C5     ga_27   
   N1    C2    O2     ga_27   
   N1    C2    N3     ga_27   
   O2    C2    N3     ga_27   
   C2    N3    C4     ga_27   
   N3    C4    N4     ga_27   
   N3    C4    C5     ga_27   
   N4    C4    C5     ga_27   
   C4    N4   H41     ga_23   
   C4    N4   H42     ga_23   
  H41    N4   H42     ga_24   
   C6    C5    C4     ga_27   
  C1*   C2*   O2*     ga_9    
  C1*   C2*   C3*     ga_8    
  O2*   C2*   C3*     ga_9    
  C2*   O2*   H2*     ga_12   
  C4*   C3*   C2*     ga_8    
  C4*   C3*   O3*     ga_9    
  C2*   C3*   O3*     ga_9    
  C3*   O3*   SI1     ga_26   
  O3*   SI1   OSI     ga_12   
  O3*   SI1   C11     ga_12   
  O3*   SI1   C12     ga_12   
  OSI   SI1   C11     ga_12   
  OSI   SI1   C12     ga_12   
  C11   SI1   C12     ga_12   
  SI1   OSI   SI2     ga_40   
  OSI   SI2   O5*     ga_12   
  OSI   SI2   C21     ga_12   
  OSI   SI2   C22     ga_12   
  O5*   SI2   C21     ga_12   
  O5*   SI2   C22     ga_12   
  C21   SI2   C22     ga_12   
  SI2   O5*   C5*     ga_26   
  C4*   C5*   O5*     ga_9    
  SI1   C11  C111     ga_13   
  SI1   C11  C112     ga_13   
 C111   C11  C112     ga_15   
  SI1   C12  C121     ga_13   
  SI1   C12  C122     ga_13   
 C121   C12  C122     ga_15   
  SI2   C21  C211     ga_13   
  SI2   C21  C212     ga_13   
 C211   C21  C212     ga_15   
  SI2   C22  C221     ga_13   
  SI2   C22  C222     ga_13   
 C221   C22  C222     ga_15   
 [ impropers ]
;  ai    aj    ak    al   gromos type
  C4*   O4*   C5*   C3*     gi_2    
   N1    C6    C2   C1*     gi_1    
   N1    C6    C5    C4     gi_1    
   N1    C2    N3    C4     gi_1    
   C6    N1    C2    N3     gi_1    
   C2    N1    C6    C5     gi_1    
   C2    N3    C4    C5     gi_1    
   O2    N1    N3    C2     gi_1    
   N3    C4    C5    C6     gi_1    
   N4    N3    C5    C4     gi_1    
   N4   H41   H42    C4     gi_1    
  C2*   O4*    N1   C1*     gi_2    
  C2*   O2*   C3*   C1*     gi_2    
  C3*   C2*   O3*   C4*     gi_2    
  SI1  C111  C112   C11     gi_2    
  SI1  C121  C122   C12     gi_2    
  SI2  C211  C212   C21     gi_2    
  SI2  C221  C222   C22     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  C3*   C4*   O4*   C1*     gd_29   
  O4*   C4*   C3*   C2*     gd_17   
  O4*   C4*   C3*   O3*     gd_18   
  C5*   C4*   C3*   C2*     gd_34   
  C5*   C4*   C3*   O3*     gd_17   
  O4*   C4*   C5*   O5*     gd_18   
  C3*   C4*   C5*   O5*     gd_17   
  C3*   C4*   C5*   O5*     gd_34   
  C4*   O4*   C1*   C2*     gd_29   
  O4*   C1*    N1    C2     gd_16   
  O4*   C1*   C2*   O2*     gd_18   
  O4*   C1*   C2*   C3*     gd_17   
  O4*   C1*   C2*   C3*     gd_34   
   N1   C1*   C2*   O2*     gd_17   
   N3    C4    N4   H41     gd_14   
  C1*   C2*   O2*   H2*     gd_23   
  C1*   C2*   C3*   C4*     gd_34   
  C1*   C2*   C3*   O3*     gd_17   
  O2*   C2*   C3*   C4*     gd_17   
  O2*   C2*   C3*   O3*     gd_18   
  C4*   C3*   O3*   SI1     gd_29   
  C3*   O3*   SI1   OSI     gd_29   
  O3*   SI1   OSI   SI2     gd_29   
  O3*   SI1   C11  C111     gd_34   
  O3*   SI1   C12  C121     gd_34   
  SI1   OSI   SI2   O5*     gd_29   
  OSI   SI2   O5*   C5*     gd_29   
  O5*   SI2   C21  C211     gd_34   
  O5*   SI2   C22  C221     gd_34   
  SI2   O5*   C5*   C4*     gd_29   

[ MTXH ]
 [ atoms ]
   N1    NR    -0.28000     0
  HA1     H     0.28000     0
   C2     C     0.00000     0
  NA2    NT    -0.83000     1
 HA21     H     0.41500     1
 HA22     H     0.41500     1
   N3    NR    -0.36000     2
   C4     C     0.36000     2
  NA4    NT    -0.83000     3
 HA41     H     0.41500     3
 HA42     H     0.41500     3
  C4A     C     0.00000     4
   N5    NR    -0.36000     4
   C6     C     0.36000     4
   C7   CR1     0.36000     5
   N8    NR    -0.36000     5
  C8A     C     0.00000     5
   C9   CH2     0.00000     6
  N10    NE     0.00000     6
 CM10   CH3     0.00000     6
  C14     C     0.00000     7
  C13   CR1     0.00000     7
  C15   CR1     0.00000     7
  C12   CR1     0.00000     8
  C16   CR1     0.00000     8
  C11     C     0.00000     8
    C     C     0.38000     9
    O     O    -0.38000     9
    N     N    -0.28000    10
    H     H     0.28000    10
   CA   CH1     0.00000    11
   CB   CH2     0.00000    11
   CG   CH2     0.00000    11
   CD     C     0.27000    12
  OE1    OM    -0.63500    12
  OE2    OM    -0.63500    12
   CT     C     0.27000    13
   O1    OM    -0.63500    13
   O2    OM    -0.63500    13
 [ bonds ]
   N1   HA1    gb_2    
   N1    C2    gb_17   
   N1   C8A    gb_17   
   C2   NA2    gb_9    
   C2    N3    gb_12   
  NA2  HA21    gb_2    
  NA2  HA22    gb_2    
   N3    C4    gb_12   
   C4   NA4    gb_9    
   C4   C4A    gb_16   
  NA4  HA41    gb_2    
  NA4  HA42    gb_2    
  C4A    N5    gb_12   
  C4A   C8A    gb_16   
   N5    C6    gb_12   
   C6    C7    gb_16   
   C6    C9    gb_27   
   C7    N8    gb_7    
   N8   C8A    gb_12   
   C9   N10    gb_21   
  N10  CM10    gb_21   
  N10   C14    gb_11   
  C14   C13    gb_16   
  C14   C15    gb_16   
  C13   C12    gb_16   
  C15   C16    gb_16   
  C12   C11    gb_16   
  C16   C11    gb_16   
  C11     C    gb_27   
    C     O    gb_5    
    C     N    gb_10   
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA    CT    gb_27   
   CB    CG    gb_27   
   CG    CD    gb_27   
   CD   OE1    gb_6    
   CD   OE2    gb_6    
   CT    O1    gb_6    
   CT    O2    gb_6    
 [ exclusions ]
;  ai    aj
   N1    C4
   N1    N5
   N1    C7
  HA1   NA2
  HA1    N3
  HA1   C4A
  HA1    N8
   C2   NA4
   C2   C4A
   C2    N8
  NA2    C4
  NA2   C8A
   N3    N5
   N3   C8A
   C4    C6
   C4    N8
  NA4    N5
  NA4   C8A
  C4A    C7
  C4A    C9
   N5    N8
   C6   C8A
   N8    C9
  N10   C12
  N10   C16
  C14   C11
  C13   C16
  C13     C
  C15   C12
  C15     C
 [ angles ]
;  ai    aj    ak   gromos type
  HA1    N1    C2     ga_25   
  HA1    N1   C8A     ga_25   
   C2    N1   C8A     ga_27   
   N1    C2   NA2     ga_27   
   N1    C2    N3     ga_27   
  NA2    C2    N3     ga_27   
   C2   NA2  HA21     ga_23   
   C2   NA2  HA22     ga_23   
 HA21   NA2  HA22     ga_24   
   C2    N3    C4     ga_27   
   N3    C4   NA4     ga_27   
   N3    C4   C4A     ga_27   
  NA4    C4   C4A     ga_27   
   C4   NA4  HA41     ga_23   
   C4   NA4  HA42     ga_23   
 HA41   NA4  HA42     ga_24   
   C4   C4A    N5     ga_27   
   C4   C4A   C8A     ga_27   
   N5   C4A   C8A     ga_27   
  C4A    N5    C6     ga_27   
   N5    C6    C7     ga_27   
   N5    C6    C9     ga_27   
   C7    C6    C9     ga_27   
   C6    C7    N8     ga_27   
   C7    N8   C8A     ga_27   
   N1   C8A   C4A     ga_27   
   N1   C8A    N8     ga_27   
  C4A   C8A    N8     ga_27   
   C6    C9   N10     ga_15   
   C9   N10  CM10     ga_20   
   C9   N10   C14     ga_33   
 CM10   N10   C14     ga_23   
  N10   C14   C13     ga_27   
  N10   C14   C15     ga_27   
  C13   C14   C15     ga_27   
  C14   C13   C12     ga_27   
  C14   C15   C16     ga_27   
  C13   C12   C11     ga_27   
  C15   C16   C11     ga_27   
  C12   C11   C16     ga_27   
  C12   C11     C     ga_27   
  C16   C11     C     ga_27   
  C11     C     O     ga_30   
  C11     C     N     ga_19   
    O     C     N     ga_33   
    C     N     H     ga_32   
    C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA    CT     ga_13   
   CB    CA    CT     ga_13   
   CA    CB    CG     ga_15   
   CB    CG    CD     ga_15   
   CG    CD   OE1     ga_22   
   CG    CD   OE2     ga_22   
  OE1    CD   OE2     ga_38   
   CA    CT    O1     ga_22   
   CA    CT    O2     ga_22   
   O1    CT    O2     ga_38   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   N1    C2    N3    C4     gi_1    
   N1    C2   C8A   HA1     gi_1    
   C2    N1    N3   NA2     gi_1    
   C2    N1   C8A   C4A     gi_1    
   C2    N3    C4   C4A     gi_1    
  NA2  HA21  HA22    C2     gi_1    
   N3    C4   C4A   C8A     gi_1    
   C4    N3   C4A   NA4     gi_1    
   C4   C4A   C8A    N1     gi_1    
  NA4  HA41  HA42    C4     gi_1    
  C4A    C4    N5   C8A     gi_1    
  C4A    N5    C6    C7     gi_1    
   N5   C4A   C8A    N8     gi_1    
   N5    C6    C7    N8     gi_1    
   C6    N5    C7    C9     gi_1    
   C6    C7    N8   C8A     gi_1    
   C7    N8   C8A   C4A     gi_1    
  C8A    N1    C2    N3     gi_1    
  C8A    N1    N8   C4A     gi_1    
  C8A   C4A    N5    C6     gi_1    
  N10    C9   C14  CM10     gi_1    
  C14   C13   C15   N10     gi_1    
  C14   C13   C12   C11     gi_1    
  C14   C15   C16   C11     gi_1    
  C13   C14   C15   C16     gi_1    
  C13   C12   C11   C16     gi_1    
  C15   C14   C13   C12     gi_1    
  C15   C16   C11   C12     gi_1    
  C11   C12   C16     C     gi_1    
    C   C11     N     O     gi_1    
    N     C    CA     H     gi_1    
   CA     N    CT    CB     gi_2    
   CD   OE1   OE2    CG     gi_1    
   CT    CA    O2    O1     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
   N1    C2   NA2  HA21     gd_14   
  C4A    C4   NA4  HA41     gd_14   
   N5    C6    C9   N10     gd_40   
   C6    C9   N10   C14     gd_39   
   C9   N10   C14   C13     gd_14   
  C12   C11     C     N     gd_10   
  C11     C     N    CA     gd_14   
    C     N    CA    CT     gd_39   
    N    CA    CB    CG     gd_34   
    N    CA    CT    O1     gd_40   
   CA    CB    CG    CD     gd_34   
   CB    CG    CD   OE1     gd_40   

[ FOL ]
 [ atoms ]
   N1    NR    -0.36000     0
   C2     C     0.36000     0
  NA2    NT    -0.83000     1
 HA21     H     0.41500     1
 HA22     H     0.41500     1
   N3    NR    -0.28000     2
  HA3     H     0.28000     2
   C4     C     0.38000     3
  OA4     O    -0.38000     3
  C4A     C     0.00000     4
   N5    NR    -0.36000     4
   C6     C     0.36000     4
   C7   CR1     0.36000     5
   N8    NR    -0.36000     5
  C8A     C     0.00000     5
   C9   CH2     0.00000     6
  N10    NE    -0.28000     6
  H10     H     0.28000     6
  C14     C     0.00000     7
  C13   CR1     0.00000     7
  C15   CR1     0.00000     7
  C12   CR1     0.00000     8
  C16   CR1     0.00000     8
  C11     C     0.00000     8
    C     C     0.38000     9
    O     O    -0.38000     9
    N     N    -0.28000    10
    H     H     0.28000    10
   CA   CH1     0.00000    11
   CB   CH2     0.00000    11
   CG   CH2     0.00000    11
   CD     C     0.27000    12
  OE1    OM    -0.63500    12
  OE2    OM    -0.63500    12
   CT     C     0.27000    13
   O1    OM    -0.63500    13
   O2    OM    -0.63500    13
 [ bonds ]
   N1    C2    gb_12   
   N1   C8A    gb_12   
   C2   NA2    gb_9    
   C2    N3    gb_17   
  NA2  HA21    gb_2    
  NA2  HA22    gb_2    
   N3   HA3    gb_2    
   N3    C4    gb_17   
   C4   OA4    gb_5    
   C4   C4A    gb_16   
  C4A    N5    gb_12   
  C4A   C8A    gb_16   
   N5    C6    gb_12   
   C6    C7    gb_16   
   C6    C9    gb_27   
   C7    N8    gb_7    
   N8   C8A    gb_12   
   C9   N10    gb_21   
  N10   H10    gb_2    
  N10   C14    gb_11   
  C14   C13    gb_16   
  C14   C15    gb_16   
  C13   C12    gb_16   
  C15   C16    gb_16   
  C12   C11    gb_16   
  C16   C11    gb_16   
  C11     C    gb_27   
    C     O    gb_5    
    C     N    gb_10   
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA    CT    gb_27   
   CB    CG    gb_27   
   CG    CD    gb_27   
   CD   OE1    gb_6    
   CD   OE2    gb_6    
   CT    O1    gb_6    
   CT    O2    gb_6    
 [ exclusions ]
;  ai    aj
   N1   HA3
   N1    C4
   N1    N5
   N1    C7
   C2   OA4
   C2   C4A
   C2    N8
  NA2   HA3
  NA2    C4
  NA2   C8A
   N3    N5
   N3   C8A
  HA3   OA4
  HA3   C4A
   C4    C6
   C4    N8
  OA4    N5
  OA4   C8A
  C4A    C7
  C4A    C9
   N5    N8
   C6   C8A
   N8    C9
  N10   C12
  N10   C16
  C14   C11
  C13   C16
  C13     C
  C15   C12
  C15     C
 [ angles ]
;  ai    aj    ak   gromos type
   C2    N1   C8A     ga_27   
   N1    C2   NA2     ga_27   
   N1    C2    N3     ga_27   
  NA2    C2    N3     ga_27   
   C2   NA2  HA21     ga_23   
   C2   NA2  HA22     ga_23   
 HA21   NA2  HA22     ga_24   
   C2    N3   HA3     ga_25   
   C2    N3    C4     ga_27   
  HA3    N3    C4     ga_25   
   N3    C4   OA4     ga_27   
   N3    C4   C4A     ga_27   
  OA4    C4   C4A     ga_27   
   C4   C4A    N5     ga_27   
   C4   C4A   C8A     ga_27   
   N5   C4A   C8A     ga_27   
  C4A    N5    C6     ga_27   
   N5    C6    C7     ga_27   
   N5    C6    C9     ga_27   
   C7    C6    C9     ga_27   
   C6    C7    N8     ga_27   
   C7    N8   C8A     ga_27   
   N1   C8A   C4A     ga_27   
   N1   C8A    N8     ga_27   
  C4A   C8A    N8     ga_27   
   C6    C9   N10     ga_15   
   C9   N10   H10     ga_20   
   C9   N10   C14     ga_33   
  H10   N10   C14     ga_23   
  N10   C14   C13     ga_27   
  N10   C14   C15     ga_27   
  C13   C14   C15     ga_27   
  C14   C13   C12     ga_27   
  C14   C15   C16     ga_27   
  C13   C12   C11     ga_27   
  C15   C16   C11     ga_27   
  C12   C11   C16     ga_27   
  C12   C11     C     ga_27   
  C16   C11     C     ga_27   
  C11     C     O     ga_30   
  C11     C     N     ga_19   
    O     C     N     ga_33   
    C     N     H     ga_32   
    C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA    CT     ga_13   
   CB    CA    CT     ga_13   
   CA    CB    CG     ga_15   
   CB    CG    CD     ga_15   
   CG    CD   OE1     ga_22   
   CG    CD   OE2     ga_22   
  OE1    CD   OE2     ga_38   
   CA    CT    O1     ga_22   
   CA    CT    O2     ga_22   
   O1    CT    O2     ga_38   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   N1    C2    N3    C4     gi_1    
   C2    N1    N3   NA2     gi_1    
   C2    N1   C8A   C4A     gi_1    
   C2    N3    C4   C4A     gi_1    
  NA2  HA21  HA22    C2     gi_1    
   N3    C2    C4   HA3     gi_1    
   N3    C4   C4A   C8A     gi_1    
   C4    N3   C4A   OA4     gi_1    
   C4   C4A   C8A    N1     gi_1    
  C4A    C4    N5   C8A     gi_1    
  C4A    N5    C6    C7     gi_1    
   N5   C4A   C8A    N8     gi_1    
   N5    C6    C7    N8     gi_1    
   C6    N5    C7    C9     gi_1    
   C6    C7    N8   C8A     gi_1    
   C7    N8   C8A   C4A     gi_1    
  C8A    N1    C2    N3     gi_1    
  C8A    N1    N8   C4A     gi_1    
  C8A   C4A    N5    C6     gi_1    
  N10    C9   C14   H10     gi_1    
  C14   C13   C15   N10     gi_1    
  C14   C13   C12   C11     gi_1    
  C14   C15   C16   C11     gi_1    
  C13   C14   C15   C16     gi_1    
  C13   C12   C11   C16     gi_1    
  C15   C14   C13   C12     gi_1    
  C15   C16   C11   C12     gi_1    
  C11   C12   C16     C     gi_1    
    C   C11     N     O     gi_1    
    N     C    CA     H     gi_1    
   CA     N    CT    CB     gi_2    
   CD   OE1   OE2    CG     gi_1    
   CT    CA    O2    O1     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
   N1    C2   NA2  HA21     gd_14   
   N5    C6    C9   N10     gd_40   
   C6    C9   N10   C14     gd_39   
   C9   N10   C14   C13     gd_14   
  C12   C11     C     N     gd_10   
  C11     C     N    CA     gd_14   
    C     N    CA    CT     gd_39   
    N    CA    CB    CG     gd_34   
    N    CA    CT    O1     gd_40   
   CA    CB    CG    CD     gd_34   
   CB    CG    CD   OE1     gd_40   

[ DHF ]
 [ atoms ]
   N1    NR    -0.36000     0
   C2     C     0.36000     0
  NA2    NT    -0.83000     1
 HA21     H     0.41500     1
 HA22     H     0.41500     1
   N3    NR    -0.28000     2
  HA3     H     0.28000     2
   C4     C     0.38000     3
  OA4     O    -0.38000     3
  C4A     C     0.00000     4
   N5    NR    -0.36000     4
   C6     C     0.36000     4
   C7   CH2     0.00000     5
   N8    NR    -0.28000     5
  HA8     H     0.28000     5
  C8A     C     0.00000     5
   C9   CH2     0.00000     6
  N10    NE    -0.28000     6
  H10     H     0.28000     6
  C14     C     0.00000     7
  C13   CR1     0.00000     7
  C15   CR1     0.00000     7
  C12   CR1     0.00000     8
  C16   CR1     0.00000     8
  C11     C     0.00000     8
    C     C     0.38000     9
    O     O    -0.38000     9
    N     N    -0.28000    10
    H     H     0.28000    10
   CA   CH1     0.00000    11
   CB   CH2     0.00000    11
   CG   CH2     0.00000    11
   CD     C     0.27000    12
  OE1    OM    -0.63500    12
  OE2    OM    -0.63500    12
   CT     C     0.27000    13
   O1    OM    -0.63500    13
   O2    OM    -0.63500    13
 [ bonds ]
   N1    C2    gb_12   
   N1   C8A    gb_12   
   C2   NA2    gb_9    
   C2    N3    gb_17   
  NA2  HA21    gb_2    
  NA2  HA22    gb_2    
   N3   HA3    gb_2    
   N3    C4    gb_17   
   C4   OA4    gb_5    
   C4   C4A    gb_16   
  C4A    N5    gb_12   
  C4A   C8A    gb_16   
   N5    C6    gb_12   
   C6    C7    gb_15   
   C6    C9    gb_27   
   C7    N8    gb_17   
   N8   HA8    gb_2    
   N8   C8A    gb_17   
   C9   N10    gb_21   
  N10   H10    gb_2    
  N10   C14    gb_11   
  C14   C13    gb_16   
  C14   C15    gb_16   
  C13   C12    gb_16   
  C15   C16    gb_16   
  C12   C11    gb_16   
  C16   C11    gb_16   
  C11     C    gb_27   
    C     O    gb_5    
    C     N    gb_10   
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA    CT    gb_27   
   CB    CG    gb_27   
   CG    CD    gb_27   
   CD   OE1    gb_6    
   CD   OE2    gb_6    
   CT    O1    gb_6    
   CT    O2    gb_6    
 [ exclusions ]
;  ai    aj
   N1   HA3
   N1    C4
   N1    N5
   N1    C7
   N1   HA8
   C2   OA4
   C2   C4A
   C2    N8
  NA2   HA3
  NA2    C4
  NA2   C8A
   N3    N5
   N3   C8A
  HA3   OA4
  HA3   C4A
   C4    C6
   C4    N8
  OA4    N5
  OA4   C8A
  C4A    C7
  C4A   HA8
  C4A    C9
   N5    N8
   C6   HA8
   C6   C8A
   N8    C9
  N10   C12
  N10   C16
  C14   C11
  C13   C16
  C13     C
  C15   C12
  C15     C
 [ angles ]
;  ai    aj    ak   gromos type
   C2    N1   C8A     ga_27   
   N1    C2   NA2     ga_27   
   N1    C2    N3     ga_27   
  NA2    C2    N3     ga_27   
   C2   NA2  HA21     ga_23   
   C2   NA2  HA22     ga_23   
 HA21   NA2  HA22     ga_24   
   C2    N3   HA3     ga_25   
   C2    N3    C4     ga_27   
  HA3    N3    C4     ga_25   
   N3    C4   OA4     ga_27   
   N3    C4   C4A     ga_27   
  OA4    C4   C4A     ga_27   
   C4   C4A    N5     ga_27   
   C4   C4A   C8A     ga_27   
   N5   C4A   C8A     ga_27   
  C4A    N5    C6     ga_27   
   N5    C6    C7     ga_27   
   N5    C6    C9     ga_27   
   C7    C6    C9     ga_27   
   C6    C7    N8     ga_27   
   C7    N8   HA8     ga_25   
   C7    N8   C8A     ga_27   
  HA8    N8   C8A     ga_25   
   N1   C8A   C4A     ga_27   
   N1   C8A    N8     ga_27   
  C4A   C8A    N8     ga_27   
   C6    C9   N10     ga_15   
   C9   N10   H10     ga_20   
   C9   N10   C14     ga_33   
  H10   N10   C14     ga_23   
  N10   C14   C13     ga_27   
  N10   C14   C15     ga_27   
  C13   C14   C15     ga_27   
  C14   C13   C12     ga_27   
  C14   C15   C16     ga_27   
  C13   C12   C11     ga_27   
  C15   C16   C11     ga_27   
  C12   C11   C16     ga_27   
  C12   C11     C     ga_27   
  C16   C11     C     ga_27   
  C11     C     O     ga_30   
  C11     C     N     ga_19   
    O     C     N     ga_33   
    C     N     H     ga_32   
    C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA    CT     ga_13   
   CB    CA    CT     ga_13   
   CA    CB    CG     ga_15   
   CB    CG    CD     ga_15   
   CG    CD   OE1     ga_22   
   CG    CD   OE2     ga_22   
  OE1    CD   OE2     ga_38   
   CA    CT    O1     ga_22   
   CA    CT    O2     ga_22   
   O1    CT    O2     ga_38   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   N1    C2    N3    C4     gi_1    
   C2    N1    N3   NA2     gi_1    
   C2    N1   C8A   C4A     gi_1    
   C2    N3    C4   C4A     gi_1    
  NA2  HA21  HA22    C2     gi_1    
   N3    C2    C4   HA3     gi_1    
   N3    C4   C4A   C8A     gi_1    
   C4    N3   C4A   OA4     gi_1    
   C4   C4A   C8A    N1     gi_1    
  C4A    C4    N5   C8A     gi_1    
  C4A    N5    C6    C7     gi_1    
   N5   C4A   C8A    N8     gi_1    
   N5    C6    C7    N8     gi_1    
   C6    N5    C7    C9     gi_1    
   C6    C7    N8   C8A     gi_1    
   C7    N8   C8A   C4A     gi_1    
   N8    C7   C8A   HA8     gi_1    
  C8A    N1    C2    N3     gi_1    
  C8A    N1    N8   C4A     gi_1    
  C8A   C4A    N5    C6     gi_1    
  N10    C9   C14   H10     gi_1    
  C14   C13   C15   N10     gi_1    
  C14   C13   C12   C11     gi_1    
  C14   C15   C16   C11     gi_1    
  C13   C14   C15   C16     gi_1    
  C13   C12   C11   C16     gi_1    
  C15   C14   C13   C12     gi_1    
  C15   C16   C11   C12     gi_1    
  C11   C12   C16     C     gi_1    
    C   C11     N     O     gi_1    
    N     C    CA     H     gi_1    
   CA     N    CT    CB     gi_2    
   CD   OE1   OE2    CG     gi_1    
   CT    CA    O2    O1     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
   N1    C2   NA2  HA21     gd_14   
   N5    C6    C9   N10     gd_40   
   C6    C9   N10   C14     gd_39   
   C9   N10   C14   C13     gd_14   
  C12   C11     C     N     gd_10   
  C11     C     N    CA     gd_14   
    C     N    CA    CT     gd_39   
    N    CA    CB    CG     gd_34   
    N    CA    CT    O1     gd_40   
   CA    CB    CG    CD     gd_34   
   CB    CG    CD   OE1     gd_40   

[ THF ]
 [ atoms ]
   N1    NR    -0.36000     0
   C2     C     0.36000     0
  NA2    NT    -0.83000     1
 HA21     H     0.41500     1
 HA22     H     0.41500     1
   N3    NR    -0.28000     2
  HA3     H     0.28000     2
   C4     C     0.38000     3
  OA4     O    -0.38000     3
  C4A     C     0.00000     4
   N5    NR    -0.28000     4
  HA5     H     0.28000     4
   C6   CH1     0.00000     4
   C7   CH2     0.00000     5
   N8    NR    -0.28000     5
  HA8     H     0.28000     5
  C8A     C     0.00000     5
   C9   CH2     0.00000     6
  N10    NE    -0.28000     6
  H10     H     0.28000     6
  C14     C     0.00000     7
  C13   CR1     0.00000     7
  C15   CR1     0.00000     7
  C12   CR1     0.00000     8
  C16   CR1     0.00000     8
  C11     C     0.00000     8
    C     C     0.38000     9
    O     O    -0.38000     9
    N     N    -0.28000    10
    H     H     0.28000    10
   CA   CH1     0.00000    11
   CB   CH2     0.00000    11
   CG   CH2     0.00000    11
   CD     C     0.27000    12
  OE1    OM    -0.63500    12
  OE2    OM    -0.63500    12
   CT     C     0.27000    13
   O1    OM    -0.63500    13
   O2    OM    -0.63500    13
 [ bonds ]
   N1    C2    gb_12   
   N1   C8A    gb_12   
   C2   NA2    gb_9    
   C2    N3    gb_17   
  NA2  HA21    gb_2    
  NA2  HA22    gb_2    
   N3   HA3    gb_2    
   N3    C4    gb_17   
   C4   OA4    gb_5    
   C4   C4A    gb_16   
  C4A    N5    gb_17   
  C4A   C8A    gb_16   
   N5   HA5    gb_2    
   N5    C6    gb_23   
   C6    C7    gb_26   
   C6    C9    gb_27   
   C7    N8    gb_23   
   N8   HA8    gb_2    
   N8   C8A    gb_17   
   C9   N10    gb_21   
  N10   H10    gb_2    
  N10   C14    gb_11   
  C14   C13    gb_16   
  C14   C15    gb_16   
  C13   C12    gb_16   
  C15   C16    gb_16   
  C12   C11    gb_16   
  C16   C11    gb_16   
  C11     C    gb_27   
    C     O    gb_5    
    C     N    gb_10   
    N     H    gb_2    
    N    CA    gb_21   
   CA    CB    gb_27   
   CA    CT    gb_27   
   CB    CG    gb_27   
   CG    CD    gb_27   
   CD   OE1    gb_6    
   CD   OE2    gb_6    
   CT    O1    gb_6    
   CT    O2    gb_6    
 [ exclusions ]
;  ai    aj
   N1   HA3
   N1    C4
   N1    N5
   C2   OA4
   C2   C4A
   C2    N8
  NA2   HA3
  NA2    C4
  NA2   C8A
   N3    N5
   N3   C8A
  HA3   OA4
  HA3   C4A
   C4    N8
  OA4    N5
  OA4   C8A
  N10   C12
  N10   C16
  C14   C11
  C13   C16
  C13     C
  C15   C12
  C15     C
 [ angles ]
;  ai    aj    ak   gromos type
   C2    N1   C8A     ga_27   
   N1    C2   NA2     ga_27   
   N1    C2    N3     ga_27   
  NA2    C2    N3     ga_27   
   C2   NA2  HA21     ga_23   
   C2   NA2  HA22     ga_23   
 HA21   NA2  HA22     ga_24   
   C2    N3   HA3     ga_25   
   C2    N3    C4     ga_27   
  HA3    N3    C4     ga_25   
   N3    C4   OA4     ga_27   
   N3    C4   C4A     ga_27   
  OA4    C4   C4A     ga_27   
   C4   C4A    N5     ga_27   
   C4   C4A   C8A     ga_27   
   N5   C4A   C8A     ga_27   
  C4A    N5   HA5     ga_25   
  C4A    N5    C6     ga_27   
  HA5    N5    C6     ga_25   
   N5    C6    C7     ga_8    
   N5    C6    C9     ga_8    
   C7    C6    C9     ga_8    
   C6    C7    N8     ga_8    
   C7    N8   HA8     ga_25   
   C7    N8   C8A     ga_27   
  HA8    N8   C8A     ga_25   
   N1   C8A   C4A     ga_27   
   N1   C8A    N8     ga_27   
  C4A   C8A    N8     ga_27   
   C6    C9   N10     ga_15   
   C9   N10   H10     ga_20   
   C9   N10   C14     ga_33   
  H10   N10   C14     ga_23   
  N10   C14   C13     ga_27   
  N10   C14   C15     ga_27   
  C13   C14   C15     ga_27   
  C14   C13   C12     ga_27   
  C14   C15   C16     ga_27   
  C13   C12   C11     ga_27   
  C15   C16   C11     ga_27   
  C12   C11   C16     ga_27   
  C12   C11     C     ga_27   
  C16   C11     C     ga_27   
  C11     C     O     ga_30   
  C11     C     N     ga_19   
    O     C     N     ga_33   
    C     N     H     ga_32   
    C     N    CA     ga_31   
    H     N    CA     ga_18   
    N    CA    CB     ga_13   
    N    CA    CT     ga_13   
   CB    CA    CT     ga_13   
   CA    CB    CG     ga_15   
   CB    CG    CD     ga_15   
   CG    CD   OE1     ga_22   
   CG    CD   OE2     ga_22   
  OE1    CD   OE2     ga_38   
   CA    CT    O1     ga_22   
   CA    CT    O2     ga_22   
   O1    CT    O2     ga_38   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   N1    C2    N3    C4     gi_1    
   C2    N1    N3   NA2     gi_1    
   C2    N1   C8A   C4A     gi_1    
   C2    N3    C4   C4A     gi_1    
  NA2  HA21  HA22    C2     gi_1    
   N3    C2    C4   HA3     gi_1    
   N3    C4   C4A   C8A     gi_1    
   C4    N3   C4A   OA4     gi_1    
   C4   C4A   C8A    N1     gi_1    
  C4A    C4    N5   C8A     gi_1    
  C4A    N5    C6    C7     gi_1    
   N5   C4A    C6   HA5     gi_1    
   N5   C4A   C8A    N8     gi_1    
   N5    C6    C7    N8     gi_1    
   C6    N5    C7    C9     gi_1    
   C6    C7    N8   C8A     gi_1    
   C7    N8   C8A   C4A     gi_1    
   N8    C7   C8A   HA8     gi_1    
  C8A    N1    C2    N3     gi_1    
  C8A    N1    N8   C4A     gi_1    
  C8A   C4A    N5    C6     gi_1    
  N10    C9   C14   H10     gi_1    
  C14   C13   C15   N10     gi_1    
  C14   C13   C12   C11     gi_1    
  C14   C15   C16   C11     gi_1    
  C13   C14   C15   C16     gi_1    
  C13   C12   C11   C16     gi_1    
  C15   C14   C13   C12     gi_1    
  C15   C16   C11   C12     gi_1    
  C11   C12   C16     C     gi_1    
    C   C11     N     O     gi_1    
    N     C    CA     H     gi_1    
   CA     N    CT    CB     gi_2    
   CD   OE1   OE2    CG     gi_1    
   CT    CA    O2    O1     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
   N1    C2   NA2  HA21     gd_14   
   N5    C6    C9   N10     gd_40   
   C6    C9   N10   C14     gd_39   
   C9   N10   C14   C13     gd_14   
  C12   C11     C     N     gd_10   
  C11     C     N    CA     gd_14   
    C     N    CA    CT     gd_39   
    N    CA    CB    CG     gd_34   
    N    CA    CT    O1     gd_40   
   CA    CB    CG    CD     gd_34   
   CB    CG    CD   OE1     gd_40   

[ TMP ]
 [ atoms ]
   N1    NR    -0.36000     0
   C2     C     0.36000     0
  NA2    NT    -0.83000     1
 HA21     H     0.41500     1
 HA22     H     0.41500     1
   N3    NR    -0.36000     2
   C4     C     0.36000     2
  NA4    NT    -0.83000     3
 HA41     H     0.41500     3
 HA42     H     0.41500     3
   C5     C     0.00000     4
   C6   CR1     0.00000     4
   C7   CH2     0.00000     4
  C11     C     0.00000     5
  C12   CR1     0.00000     5
  C16   CR1     0.00000     5
  C13     C     0.18000     6
  O13    OA    -0.36000     6
 CM13   CH3     0.18000     6
  C15     C     0.18000     7
  O15    OA    -0.36000     7
 CM15   CH3     0.18000     7
  C14     C     0.18000     8
  O14    OA    -0.36000     8
 CM14   CH3     0.18000     8
 [ bonds ]
   N1    C2    gb_12   
   N1    C6    gb_7    
   C2   NA2    gb_9    
   C2    N3    gb_12   
  NA2  HA21    gb_2    
  NA2  HA22    gb_2    
   N3    C4    gb_12   
   C4   NA4    gb_9    
   C4    C5    gb_16   
  NA4  HA41    gb_2    
  NA4  HA42    gb_2    
   C5    C6    gb_16   
   C5    C7    gb_27   
   C7   C11    gb_27   
  C11   C12    gb_16   
  C11   C16    gb_16   
  C12   C13    gb_16   
  C16   C15    gb_16   
  C13   O13    gb_13   
  C13   C14    gb_16   
  O13  CM13    gb_18   
  C15   O15    gb_13   
  C15   C14    gb_16   
  O15  CM15    gb_18   
  C14   O14    gb_13   
  O14  CM14    gb_18   
 [ exclusions ]
;  ai    aj
   N1    C4
   N1    C7
   C2   NA4
   C2    C5
  NA2    C4
  NA2    C6
   N3    C6
   N3    C7
   C7   C13
   C7   C15
  C11   O13
  C11   O15
  C11   C14
  C12   C15
  C12   O14
  C16   C13
  C16   O14
  C13   O15
  O13   C15
  O13   O14
  O15   O14
 [ angles ]
;  ai    aj    ak   gromos type
   C2    N1    C6     ga_27   
   N1    C2   NA2     ga_27   
   N1    C2    N3     ga_27   
  NA2    C2    N3     ga_27   
   C2   NA2  HA21     ga_23   
   C2   NA2  HA22     ga_23   
 HA21   NA2  HA22     ga_24   
   C2    N3    C4     ga_27   
   N3    C4   NA4     ga_27   
   N3    C4    C5     ga_27   
  NA4    C4    C5     ga_27   
   C4   NA4  HA41     ga_23   
   C4   NA4  HA42     ga_23   
 HA41   NA4  HA42     ga_24   
   C4    C5    C6     ga_27   
   C4    C5    C7     ga_27   
   C6    C5    C7     ga_27   
   N1    C6    C5     ga_27   
   C5    C7   C11     ga_15   
   C7   C11   C12     ga_27   
   C7   C11   C16     ga_27   
  C12   C11   C16     ga_27   
  C11   C12   C13     ga_27   
  C11   C16   C15     ga_27   
  C12   C13   O13     ga_27   
  C12   C13   C14     ga_27   
  O13   C13   C14     ga_27   
  C13   O13  CM13     ga_20   
  C16   C15   O15     ga_27   
  C16   C15   C14     ga_27   
  O15   C15   C14     ga_27   
  C15   O15  CM15     ga_20   
  C13   C14   C15     ga_27   
  C13   C14   O14     ga_27   
  C15   C14   O14     ga_27   
  C14   O14  CM14     ga_20   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   N1    C2    N3    C4     gi_1    
   C2    N1    N3   NA2     gi_1    
   C2    N1    C6    C5     gi_1    
   C2    N3    C4    C5     gi_1    
  NA2  HA21  HA22    C2     gi_1    
   N3    C4    C5    C6     gi_1    
   C4    N3    C5   NA4     gi_1    
   C4    C5    C6    N1     gi_1    
  NA4  HA41  HA42    C4     gi_1    
   C5    C4    C6    C7     gi_1    
   C6    N1    C2    N3     gi_1    
  C11   C12   C16    C7     gi_1    
  C11   C12   C13   C14     gi_1    
  C11   C16   C15   C14     gi_1    
  C12   C11   C16   C15     gi_1    
  C12   C13   C14   C15     gi_1    
  C16   C11   C12   C13     gi_1    
  C16   C15   C14   C13     gi_1    
  C13   C12   O13   C14     gi_1    
  C15   C16   O15   C14     gi_1    
  C14   C13   O14   C15     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
   N1    C2   NA2  HA21     gd_14   
   C5    C4   NA4  HA41     gd_14   
   C4    C5    C7   C11     gd_40   
   C5    C7   C11   C12     gd_40   
  C12   C13   O13  CM13     gd_11   
  C12   C13   O13  CM13     gd_12   
  C16   C15   O15  CM15     gd_11   
  C16   C15   O15  CM15     gd_12   
  C13   C14   O14  CM14     gd_11   

[ TMPH ]
 [ atoms ]
   N1    NR    -0.28000     0
  HA1     H     0.28000     0
   C2     C     0.00000     0
  NA2    NT    -0.83000     1
 HA21     H     0.41500     1
 HA22     H     0.41500     1
   N3    NR    -0.36000     2
   C4     C     0.36000     2
  NA4    NT    -0.83000     3
 HA41     H     0.41500     3
 HA42     H     0.41500     3
   C5     C     0.00000     4
   C6   CR1     0.00000     4
   C7   CH2     0.00000     4
  C11     C     0.00000     5
  C12   CR1     0.00000     5
  C16   CR1     0.00000     5
  C13     C     0.18000     6
  O13    OA    -0.36000     6
 CM13   CH3     0.18000     6
  C15     C     0.18000     7
  O15    OA    -0.36000     7
 CM15   CH3     0.18000     7
  C14     C     0.18000     8
  O14    OA    -0.36000     8
 CM14   CH3     0.18000     8
 [ bonds ]
   N1   HA1    gb_2    
   N1    C2    gb_17   
   N1    C6    gb_17   
   C2   NA2    gb_9    
   C2    N3    gb_12   
  NA2  HA21    gb_2    
  NA2  HA22    gb_2    
   N3    C4    gb_12   
   C4   NA4    gb_9    
   C4    C5    gb_16   
  NA4  HA41    gb_2    
  NA4  HA42    gb_2    
   C5    C6    gb_16   
   C5    C7    gb_27   
   C7   C11    gb_27   
  C11   C12    gb_16   
  C11   C16    gb_16   
  C12   C13    gb_16   
  C16   C15    gb_16   
  C13   O13    gb_13   
  C13   C14    gb_16   
  O13  CM13    gb_18   
  C15   O15    gb_13   
  C15   C14    gb_16   
  O15  CM15    gb_18   
  C14   O14    gb_13   
  O14  CM14    gb_18   
 [ exclusions ]
;  ai    aj
   N1    C4
   N1    C7
  HA1   NA2
  HA1    N3
  HA1    C5
   C2   NA4
   C2    C5
  NA2    C4
  NA2    C6
   N3    C6
   N3    C7
  NA4    C6
  NA4    C7
   C7   C13
   C7   C15
  C11   O13
  C11   O15
  C11   C14
  C12   C15
  C12   O14
  C16   C13
  C16   O14
  C13   O15
  O13   C15
  O13   O14
  O15   O14
 [ angles ]
;  ai    aj    ak   gromos type
  HA1    N1    C2     ga_25   
  HA1    N1    C6     ga_25   
   C2    N1    C6     ga_27   
   N1    C2   NA2     ga_27   
   N1    C2    N3     ga_27   
  NA2    C2    N3     ga_27   
   C2   NA2  HA21     ga_23   
   C2   NA2  HA22     ga_23   
 HA21   NA2  HA22     ga_24   
   C2    N3    C4     ga_27   
   N3    C4   NA4     ga_27   
   N3    C4    C5     ga_27   
  NA4    C4    C5     ga_27   
   C4   NA4  HA41     ga_23   
   C4   NA4  HA42     ga_23   
 HA41   NA4  HA42     ga_24   
   C4    C5    C6     ga_27   
   C4    C5    C7     ga_27   
   C6    C5    C7     ga_27   
   N1    C6    C5     ga_27   
   C5    C7   C11     ga_15   
   C7   C11   C12     ga_27   
   C7   C11   C16     ga_27   
  C12   C11   C16     ga_27   
  C11   C12   C13     ga_27   
  C11   C16   C15     ga_27   
  C12   C13   O13     ga_27   
  C12   C13   C14     ga_27   
  O13   C13   C14     ga_27   
  C13   O13  CM13     ga_20   
  C16   C15   O15     ga_27   
  C16   C15   C14     ga_27   
  O15   C15   C14     ga_27   
  C15   O15  CM15     ga_20   
  C13   C14   C15     ga_27   
  C13   C14   O14     ga_27   
  C15   C14   O14     ga_27   
  C14   O14  CM14     ga_20   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   N1    C2    N3    C4     gi_1    
   N1    C2    C6   HA1     gi_1    
   C2    N1    N3   NA2     gi_1    
   C2    N1    C6    C5     gi_1    
   C2    N3    C4    C5     gi_1    
  NA2  HA21  HA22    C2     gi_1    
   N3    C4    C5    C6     gi_1    
   C4    N3    C5   NA4     gi_1    
   C4    C5    C6    N1     gi_1    
  NA4  HA41  HA42    C4     gi_1    
   C5    C4    C6    C7     gi_1    
   C6    N1    C2    N3     gi_1    
  C11   C12   C16    C7     gi_1    
  C11   C12   C13   C14     gi_1    
  C11   C16   C15   C14     gi_1    
  C12   C11   C16   C15     gi_1    
  C12   C13   C14   C15     gi_1    
  C16   C11   C12   C13     gi_1    
  C16   C15   C14   C13     gi_1    
  C13   C12   O13   C14     gi_1    
  C15   C16   O15   C14     gi_1    
  C14   C13   O14   C15     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
   N1    C2   NA2  HA21     gd_14   
   C5    C4   NA4  HA41     gd_14   
   C4    C5    C7   C11     gd_40   
   C5    C7   C11   C12     gd_40   
  C12   C13   O13  CM13     gd_11   
  C12   C13   O13  CM13     gd_12   
  C16   C15   O15  CM15     gd_11   
  C16   C15   O15  CM15     gd_12   
  C13   C14   O14  CM14     gd_11   

[ TMPHP ]
 [ atoms ]
   N1    NR    -0.36000     0
  HA1     H     0.36000     0
   C2     C     0.60000     0
  NA2    NT    -0.73000     1
 HA21     H     0.41500     1
 HA22     H     0.41500     1
   N3    NR    -0.36000     2
   C4     C     0.36000     2
  NA4    NT    -0.83000     3
 HA41     H     0.41500     3
 HA42     H     0.41500     3
   C5     C     0.10000     4
   C6   CR1     0.20000     4
   C7   CH2     0.00000     4
  C11     C     0.00000     5
  C12   CR1     0.00000     5
  C16   CR1     0.00000     5
  C13     C     0.18000     6
  O13    OA    -0.36000     6
 CM13   CH3     0.18000     6
  C15     C     0.18000     7
  O15    OA    -0.36000     7
 CM15   CH3     0.18000     7
  C14     C     0.18000     8
  O14    OA    -0.36000     8
 CM14   CH3     0.18000     8
 [ bonds ]
   N1   HA1    gb_2    
   N1    C2    gb_17   
   N1    C6    gb_17   
   C2   NA2    gb_9    
   C2    N3    gb_12   
  NA2  HA21    gb_2    
  NA2  HA22    gb_2    
   N3    C4    gb_12   
   C4   NA4    gb_9    
   C4    C5    gb_16   
  NA4  HA41    gb_2    
  NA4  HA42    gb_2    
   C5    C6    gb_16   
   C5    C7    gb_27   
   C7   C11    gb_27   
  C11   C12    gb_16   
  C11   C16    gb_16   
  C12   C13    gb_16   
  C16   C15    gb_16   
  C13   O13    gb_13   
  C13   C14    gb_16   
  O13  CM13    gb_18   
  C15   O15    gb_13   
  C15   C14    gb_16   
  O15  CM15    gb_18   
  C14   O14    gb_13   
  O14  CM14    gb_18   
 [ exclusions ]
;  ai    aj
   N1    C4
   N1    C7
  HA1   NA2
  HA1    N3
  HA1    C5
   C2   NA4
   C2    C5
  NA2    C4
  NA2    C6
   N3    C6
   N3    C7
  NA4    C6
  NA4    C7
   C7   C13
   C7   C15
  C11   O13
  C11   O15
  C11   C14
  C12   C15
  C12   O14
  C16   C13
  C16   O14
  C13   O15
  O13   C15
  O13   O14
  O15   O14
 [ angles ]
;  ai    aj    ak   gromos type
  HA1    N1    C2     ga_25   
  HA1    N1    C6     ga_25   
   C2    N1    C6     ga_27   
   N1    C2   NA2     ga_27   
   N1    C2    N3     ga_27   
  NA2    C2    N3     ga_27   
   C2   NA2  HA21     ga_23   
   C2   NA2  HA22     ga_23   
 HA21   NA2  HA22     ga_24   
   C2    N3    C4     ga_27   
   N3    C4   NA4     ga_27   
   N3    C4    C5     ga_27   
  NA4    C4    C5     ga_27   
   C4   NA4  HA41     ga_23   
   C4   NA4  HA42     ga_23   
 HA41   NA4  HA42     ga_24   
   C4    C5    C6     ga_27   
   C4    C5    C7     ga_27   
   C6    C5    C7     ga_27   
   N1    C6    C5     ga_27   
   C5    C7   C11     ga_15   
   C7   C11   C12     ga_27   
   C7   C11   C16     ga_27   
  C12   C11   C16     ga_27   
  C11   C12   C13     ga_27   
  C11   C16   C15     ga_27   
  C12   C13   O13     ga_27   
  C12   C13   C14     ga_27   
  O13   C13   C14     ga_27   
  C13   O13  CM13     ga_20   
  C16   C15   O15     ga_27   
  C16   C15   C14     ga_27   
  O15   C15   C14     ga_27   
  C15   O15  CM15     ga_20   
  C13   C14   C15     ga_27   
  C13   C14   O14     ga_27   
  C15   C14   O14     ga_27   
  C14   O14  CM14     ga_20   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   N1    C2    N3    C4     gi_1    
   N1    C2    C6   HA1     gi_1    
   C2    N1    N3   NA2     gi_1    
   C2    N1    C6    C5     gi_1    
   C2    N3    C4    C5     gi_1    
  NA2  HA21  HA22    C2     gi_1    
   N3    C4    C5    C6     gi_1    
   C4    N3    C5   NA4     gi_1    
   C4    C5    C6    N1     gi_1    
  NA4  HA41  HA42    C4     gi_1    
   C5    C4    C6    C7     gi_1    
   C6    N1    C2    N3     gi_1    
  C11   C12   C16    C7     gi_1    
  C11   C12   C13   C14     gi_1    
  C11   C16   C15   C14     gi_1    
  C12   C11   C16   C15     gi_1    
  C12   C13   C14   C15     gi_1    
  C16   C11   C12   C13     gi_1    
  C16   C15   C14   C13     gi_1    
  C13   C12   O13   C14     gi_1    
  C15   C16   O15   C14     gi_1    
  C14   C13   O14   C15     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
   N1    C2   NA2  HA21     gd_14   
   C5    C4   NA4  HA41     gd_14   
   C4    C5    C7   C11     gd_40   
   C5    C7   C11   C12     gd_40   
  C12   C13   O13  CM13     gd_11   
  C12   C13   O13  CM13     gd_12   
  C16   C15   O15  CM15     gd_11   
  C16   C15   O15  CM15     gd_12   
  C13   C14   O14  CM14     gd_11   

[ PDG ]
 [ atoms ]
    P     P     0.63000     0
  O1P    OM    -0.63500     0
  O2P    OM    -0.63500     0
  O3P    OA    -0.54800     0
  H3P     H     0.39800     0
  O4P    OA    -0.36000     0
   C1   CH2     0.15000     0
   C2   CH1     0.15000     1
   O2    OA    -0.54800     1
   H2     H     0.39800     1
   C3     C     0.27000     2
  OT1    OM    -0.63500     2
  OT2    OM    -0.63500     2
 [ bonds ]
    P   O1P    gb_24   
    P   O2P    gb_24   
    P   O3P    gb_28   
    P   O4P    gb_28   
  O3P   H3P    gb_1    
  O4P    C1    gb_18   
   C1    C2    gb_27   
   C2    O2    gb_18   
   C2    C3    gb_27   
   O2    H2    gb_1    
   C3   OT1    gb_6    
   C3   OT2    gb_6    
 [ exclusions ]
;  ai    aj
  O1P   H3P
  O2P   H3P
  H3P   O4P
 [ angles ]
;  ai    aj    ak   gromos type
  O1P     P   O2P     ga_29   
  O1P     P   O3P     ga_14   
  O1P     P   O4P     ga_14   
  O2P     P   O3P     ga_14   
  O2P     P   O4P     ga_14   
  O3P     P   O4P     ga_5    
    P   O3P   H3P     ga_12   
    P   O4P    C1     ga_26   
  O4P    C1    C2     ga_15   
   C1    C2    O2     ga_15   
   C1    C2    C3     ga_13   
   O2    C2    C3     ga_13   
   C2    O2    H2     ga_12   
   C2    C3   OT1     ga_22   
   C2    C3   OT2     ga_22   
  OT1    C3   OT2     ga_38   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   C2    C1    C3    O2     gi_2    
   C3    C2   OT2   OT1     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  O4P     P   O3P   H3P     gd_19   
  O4P     P   O3P   H3P     gd_22   
  O3P     P   O4P    C1     gd_19   
  O3P     P   O4P    C1     gd_22   
    P   O4P    C1    C2     gd_29   
  O4P    C1    C2    C3     gd_34   
   C1    C2    O2    H2     gd_23   
   C1    C2    C3   OT1     gd_40   

[ ATP ]
 [ atoms ]
  AN9    NR    -0.20000     0
  AC4     C     0.20000     0
  AN3    NR    -0.36000     1
  AC2   CR1     0.36000     1
  AN1    NR    -0.36000     2
  AC6     C     0.36000     2
  AN6    NT    -0.83000     3
 AH61     H     0.41500     3
 AH62     H     0.41500     3
  AC5     C     0.00000     4
  AN7    NR    -0.36000     4
  AC8   CR1     0.36000     4
 AC1*   CH1     0.20000     5
 AO4*    OA    -0.36000     5
 AC4*   CH1     0.16000     5
 AC2*   CH1     0.15000     6
 AO2*    OA    -0.54800     6
 AH2*     H     0.39800     6
 AC3*   CH1     0.15000     7
 AO3*    OA    -0.54800     7
 AH3*     H     0.39800     7
 AC5*   CH2     0.00000     8
 AO5*    OA    -0.36000     9
  APA     P     0.70500     9
AO1A    OM    -0.63500     9
AO2A    OM    -0.63500     9
AO3A    OA    -0.36000    10
  APB     P     0.70500    10
AO1B    OM    -0.63500    10
AO2B    OM    -0.63500    10
AO3B    OA    -0.36000    11
  APG     P     0.63000    11
AO1G    OM    -0.63500    11
AO2G    OM    -0.63500    11
AO3G    OA    -0.54800    11
AH3G     H     0.39800    11
 [ bonds ]
  AN9   AC4    gb_10   
  AN9   AC8    gb_10   
  AN9  AC1*    gb_22   
  AC4   AN3    gb_12   
  AC4   AC5    gb_16   
  AN3   AC2    gb_7    
  AC2   AN1    gb_7    
  AN1   AC6    gb_12   
  AC6   AN6    gb_9    
  AC6   AC5    gb_16   
  AN6  AH61    gb_2    
  AN6  AH62    gb_2    
  AC5   AN7    gb_10   
  AN7   AC8    gb_10   
 AC1*  AO4*    gb_20   
 AC1*  AC2*    gb_26   
 AO4*  AC4*    gb_20   
 AC4*  AC3*    gb_26   
 AC4*  AC5*    gb_26   
 AC2*  AO2*    gb_20   
 AC2*  AC3*    gb_26   
 AO2*  AH2*    gb_1    
 AC3*  AO3*    gb_20   
 AO3*  AH3*    gb_1    
 AC5*  AO5*    gb_20   
 AO5*   APA    gb_28   
  APA AO1A    gb_24   
  APA AO2A    gb_24   
  APA AO3A    gb_28   
AO3A   APB    gb_28   
  APB AO1B    gb_24   
  APB AO2B    gb_24   
  APB AO3B    gb_28   
AO3B   APG    gb_28   
  APG AO1G    gb_24   
  APG AO2G    gb_24   
  APG AO3G    gb_28   
AO3G AH3G    gb_1    
 [ exclusions ]
;  ai    aj
  AN9   AC2
  AN9   AC6
  AC4   AN1
  AC4   AN6
  AN3   AC6
  AN3   AN7
  AN3   AC8
  AN3  AC1*
  AC2   AN6
  AC2   AC5
  AN1   AN7
  AC6   AC8
  AC5  AC1*
  AN7  AC1*
AO3B AH3G
AO1G AH3G
AO2G AH3G
 [ angles ]
;  ai    aj    ak   gromos type
  AC4   AN9   AC8     ga_7    
  AC4   AN9  AC1*     ga_37   
  AC8   AN9  AC1*     ga_37   
  AN9   AC4   AN3     ga_39   
  AN9   AC4   AC5     ga_7    
  AN3   AC4   AC5     ga_27   
  AC4   AN3   AC2     ga_27   
  AN3   AC2   AN1     ga_27   
  AC2   AN1   AC6     ga_27   
  AN1   AC6   AN6     ga_27   
  AN1   AC6   AC5     ga_27   
  AN6   AC6   AC5     ga_27   
  AC6   AN6  AH61     ga_23   
  AC6   AN6  AH62     ga_23   
 AH61   AN6  AH62     ga_24   
  AC4   AC5   AC6     ga_27   
  AC4   AC5   AN7     ga_7    
  AC6   AC5   AN7     ga_39   
  AC5   AN7   AC8     ga_7    
  AN9   AC8   AN7     ga_7    
  AN9  AC1*  AO4*     ga_9    
  AN9  AC1*  AC2*     ga_9    
 AO4*  AC1*  AC2*     ga_9    
 AC1*  AO4*  AC4*     ga_10   
 AO4*  AC4*  AC3*     ga_9    
 AO4*  AC4*  AC5*     ga_9    
 AC3*  AC4*  AC5*     ga_8    
 AC1*  AC2*  AO2*     ga_9    
 AC1*  AC2*  AC3*     ga_8    
 AO2*  AC2*  AC3*     ga_9    
 AC2*  AO2*  AH2*     ga_12   
 AC4*  AC3*  AC2*     ga_8    
 AC4*  AC3*  AO3*     ga_9    
 AC2*  AC3*  AO3*     ga_9    
 AC3*  AO3*  AH3*     ga_12   
 AC4*  AC5*  AO5*     ga_9    
 AC5*  AO5*   APA     ga_26   
 AO5*   APA AO1A     ga_14   
 AO5*   APA AO2A     ga_14   
 AO5*   APA AO3A     ga_5    
AO1A   APA AO2A     ga_29   
AO1A   APA AO3A     ga_14   
AO2A   APA AO3A     ga_14   
  APA AO3A   APB     ga_26   
AO3A   APB AO1B     ga_14   
AO3A   APB AO2B     ga_14   
AO3A   APB AO3B     ga_5    
AO1B   APB AO2B     ga_29   
AO1B   APB AO3B     ga_14   
AO2B   APB AO3B     ga_14   
  APB AO3B   APG     ga_26   
AO3B   APG AO1G     ga_14   
AO3B   APG AO2G     ga_14   
AO3B   APG AO3G     ga_5    
AO1G   APG AO2G     ga_29   
AO1G   APG AO3G     ga_14   
AO2G   APG AO3G     ga_14   
  APG AO3G AH3G     ga_12   
 [ impropers ]
;  ai    aj    ak    al   gromos type
  AN9   AC4   AC5   AN7     gi_1    
  AC4   AN9   AN3   AC5     gi_1    
  AC4   AN9   AC8   AN7     gi_1    
  AC4   AN3   AC2   AN1     gi_1    
  AC4   AC5   AN7   AC8     gi_1    
  AN3   AC4   AC5   AC6     gi_1    
  AN3   AC2   AN1   AC6     gi_1    
  AC2   AN1   AC6   AC5     gi_1    
  AN1   AC6   AC5   AC4     gi_1    
  AN6   AN1   AC5   AC6     gi_1    
  AN6  AH61  AH62   AC6     gi_1    
  AC5   AC4   AN3   AC2     gi_1    
  AC5   AC6   AN7   AC4     gi_1    
  AC5   AN7   AC8   AN9     gi_1    
  AC8   AN9   AC4   AC5     gi_1    
 AC1*   AN9  AO4*  AC2*     gi_2    
 AC1*   AC4   AC8   AN9     gi_1    
 AC4*  AO4*  AC5*  AC3*     gi_2    
 AC2*  AO2*  AC3*  AC1*     gi_2    
 AC3*  AC2*  AO3*  AC4*     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  AC4   AN9  AC1*  AO4*     gd_16   
  AC5   AC6   AN6  AH61     gd_14   
 AC2*  AC1*  AO4*  AC4*     gd_29   
  AN9  AC1*  AC2*  AO2*     gd_17   
 AO4*  AC1*  AC2*  AO2*     gd_18   
 AO4*  AC1*  AC2*  AC3*     gd_17   
 AO4*  AC1*  AC2*  AC3*     gd_34   
 AC1*  AO4*  AC4*  AC3*     gd_29   
 AO4*  AC4*  AC3*  AC2*     gd_17   
 AO4*  AC4*  AC3*  AO3*     gd_18   
 AC5*  AC4*  AC3*  AC2*     gd_34   
 AC5*  AC4*  AC3*  AO3*     gd_17   
 AO4*  AC4*  AC5*  AO5*     gd_18   
 AC3*  AC4*  AC5*  AO5*     gd_17   
 AC3*  AC4*  AC5*  AO5*     gd_34   
 AC1*  AC2*  AO2*  AH2*     gd_23   
 AC1*  AC2*  AC3*  AC4*     gd_34   
 AC1*  AC2*  AC3*  AO3*     gd_17   
 AO2*  AC2*  AC3*  AC4*     gd_17   
 AO2*  AC2*  AC3*  AO3*     gd_18   
 AC4*  AC3*  AO3*  AH3*     gd_23   
 AC4*  AC5*  AO5*   APA     gd_29   
 AC5*  AO5*   APA AO3A     gd_19   
 AC5*  AO5*   APA AO3A     gd_22   
 AO5*   APA AO3A   APB     gd_19   
 AO5*   APA AO3A   APB     gd_22   
  APA AO3A   APB AO3B     gd_19   
  APA AO3A   APB AO3B     gd_22   
AO3A   APB AO3B   APG     gd_19   
AO3A   APB AO3B   APG     gd_22   
  APB AO3B   APG AO3G     gd_19   
  APB AO3B   APG AO3G     gd_22   
AO3B   APG AO3G AH3G     gd_19   
AO3B   APG AO3G AH3G     gd_22   

[ PMB ]
 [ atoms ]
  PC8   CH3     0.00000     0
  PC5     C     0.00000     0
  PC4   CR1     0.00000     0
  PC6   CR1     0.00000     0
  PC3   CR1     0.00000     1
  PC7   CR1     0.00000     1
  PC2     C     0.00000     1
  PC1   CH0     0.00000     2
   PO    OM    -0.60000     2
 PHC1    HC    -0.20000     2
 PHC2    HC    -0.20000     2
 [ bonds ]
  PC8   PC5    gb_27   
  PC5   PC4    gb_16   
  PC5   PC6    gb_16   
  PC4   PC3    gb_16   
  PC6   PC7    gb_16   
  PC3   PC2    gb_16   
  PC7   PC2    gb_16   
  PC2   PC1    gb_27   
  PC1    PO    gb_19   
  PC1  PHC1    gb_3    
  PC1  PHC2    gb_3    
 [ exclusions ]
;  ai    aj
  PC8   PC3
  PC8   PC7
  PC5   PC2
  PC4   PC7
  PC4   PC1
  PC6   PC3
  PC6   PC1
 [ angles ]
;  ai    aj    ak   gromos type
  PC8   PC5   PC4     ga_27   
  PC8   PC5   PC6     ga_27   
  PC4   PC5   PC6     ga_27   
  PC5   PC4   PC3     ga_27   
  PC5   PC6   PC7     ga_27   
  PC4   PC3   PC2     ga_27   
  PC6   PC7   PC2     ga_27   
  PC3   PC2   PC7     ga_27   
  PC3   PC2   PC1     ga_27   
  PC7   PC2   PC1     ga_27   
  PC2   PC1    PO     ga_13   
  PC2   PC1  PHC1     ga_11   
  PC2   PC1  PHC2     ga_11   
   PO   PC1  PHC1     ga_11   
   PO   PC1  PHC2     ga_11   
 PHC1   PC1  PHC2     ga_10   
 [ impropers ]
;  ai    aj    ak    al   gromos type
  PC5   PC4   PC6   PC8     gi_1    
  PC5   PC4   PC3   PC2     gi_1    
  PC5   PC6   PC7   PC2     gi_1    
  PC4   PC5   PC6   PC7     gi_1    
  PC4   PC3   PC2   PC7     gi_1    
  PC6   PC5   PC4   PC3     gi_1    
  PC6   PC7   PC2   PC3     gi_1    
  PC2   PC3   PC7   PC1     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  PC3   PC2   PC1    PO     gd_40   

[ PMBH ]
 [ atoms ]
  PC8   CH3     0.00000     0
  PC5     C     0.00000     0
  PC4   CR1     0.00000     0
  PC6   CR1     0.00000     0
  PC3   CR1     0.00000     1
  PC7   CR1     0.00000     1
  PC2     C     0.00000     1
  PC1   CH0    -0.05000     2
   PO    OA    -0.54800     2
   PH     H     0.39800     2
 PHC1    HC     0.10000     2
 PHC2    HC     0.10000     2
 [ bonds ]
  PC8   PC5    gb_27   
  PC5   PC4    gb_16   
  PC5   PC6    gb_16   
  PC4   PC3    gb_16   
  PC6   PC7    gb_16   
  PC3   PC2    gb_16   
  PC7   PC2    gb_16   
  PC2   PC1    gb_27   
  PC1    PO    gb_13   
  PC1  PHC1    gb_3    
  PC1  PHC2    gb_3    
   PO    PH    gb_1    
 [ exclusions ]
;  ai    aj
  PC8   PC3
  PC8   PC7
  PC5   PC2
  PC4   PC7
  PC4   PC1
  PC6   PC3
  PC6   PC1
 [ angles ]
;  ai    aj    ak   gromos type
  PC8   PC5   PC4     ga_27   
  PC8   PC5   PC6     ga_27   
  PC4   PC5   PC6     ga_27   
  PC5   PC4   PC3     ga_27   
  PC5   PC6   PC7     ga_27   
  PC4   PC3   PC2     ga_27   
  PC6   PC7   PC2     ga_27   
  PC3   PC2   PC7     ga_27   
  PC3   PC2   PC1     ga_27   
  PC7   PC2   PC1     ga_27   
  PC2   PC1    PO     ga_13   
  PC2   PC1  PHC1     ga_11   
  PC2   PC1  PHC2     ga_11   
   PO   PC1  PHC1     ga_11   
   PO   PC1  PHC2     ga_11   
 PHC1   PC1  PHC2     ga_10   
  PC1    PO    PH     ga_12   
 [ impropers ]
;  ai    aj    ak    al   gromos type
  PC5   PC4   PC6   PC8     gi_1    
  PC5   PC4   PC3   PC2     gi_1    
  PC5   PC6   PC7   PC2     gi_1    
  PC4   PC5   PC6   PC7     gi_1    
  PC4   PC3   PC2   PC7     gi_1    
  PC6   PC5   PC4   PC3     gi_1    
  PC6   PC7   PC2   PC3     gi_1    
  PC2   PC3   PC7   PC1     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  PC3   PC2   PC1    PO     gd_40   
  PC2   PC1    PO    PH     gd_23   

[ BA ]
 [ atoms ]
   C3     C    -0.10000     0
   H3    HC     0.10000     0
   C2     C    -0.10000     1
   H2    HC     0.10000     1
   C4     C    -0.10000     2
   H4    HC     0.10000     2
   C1     C    -0.10000     3
   H1    HC     0.10000     3
   C5     C    -0.10000     4
   H5    HC     0.10000     4
   C6     C     0.00000     5
   C7     C     0.53000     6
   O8     O    -0.38000     6
   O9    OA    -0.54800     6
   H9     H     0.39800     6
 [ bonds ]
   C3    H3    gb_3    
   C3    C2    gb_16   
   C3    C4    gb_16   
   C2    H2    gb_3    
   C2    C1    gb_16   
   C4    H4    gb_3    
   C4    C5    gb_16   
   C1    H1    gb_3    
   C1    C6    gb_16   
   C5    H5    gb_3    
   C5    C6    gb_16   
   C6    C7    gb_23   
   C7    O8    gb_5    
   C7    O9    gb_13   
   O9    H9    gb_1    
 [ exclusions ]
;  ai    aj
   C3    H1
   C3    H5
   C3    C6
   H3    H2
   H3    H4
   H3    C1
   H3    C5
   C2    H4
   C2    C5
   C2    C7
   H2    C4
   H2    H1
   H2    C6
   C4    C1
   C4    C7
   H4    H5
   H4    C6
   C1    H5
   H1    C5
   H1    C7
   H5    C7
 [ angles ]
;  ai    aj    ak   gromos type
   H3    C3    C2     ga_25   
   H3    C3    C4     ga_25   
   C2    C3    C4     ga_27   
   C3    C2    H2     ga_25   
   C3    C2    C1     ga_27   
   H2    C2    C1     ga_25   
   C3    C4    H4     ga_25   
   C3    C4    C5     ga_27   
   H4    C4    C5     ga_25   
   C2    C1    H1     ga_25   
   C2    C1    C6     ga_27   
   H1    C1    C6     ga_25   
   C4    C5    H5     ga_25   
   C4    C5    C6     ga_27   
   H5    C5    C6     ga_25   
   C1    C6    C5     ga_27   
   C1    C6    C7     ga_27   
   C5    C6    C7     ga_27   
   C6    C7    O8     ga_30   
   C6    C7    O9     ga_19   
   O8    C7    O9     ga_33   
   C7    O9    H9     ga_12   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   C3    C2    C4    H3     gi_1    
   C3    C2    C1    C6     gi_1    
   C3    C4    C5    C6     gi_1    
   C2    C3    C4    C5     gi_1    
   C2    C1    C6    C5     gi_1    
   H2    C3    C1    C2     gi_1    
   C4    C3    C2    C1     gi_1    
   C4    C5    C6    C1     gi_1    
   H4    C3    C5    C4     gi_1    
   C1    C2    C6    H1     gi_1    
   C5    C4    C6    H5     gi_1    
   C6    C1    C5    C7     gi_1    
   C7    O8    O9    C6     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
   C1    C6    C7    O9     gd_10   
   C6    C7    O9    H9     gd_12   

[ RTOL ]
 [ atoms ]
  C18   CH3     0.00000     0
  C17   CH3     0.00000     0
   C1   CH0     0.00000     0
   C2  CH2r     0.00000     1
   C3  CH2r     0.00000     1
   C4  CH2r     0.00000     1
   C5     C     0.00000     2
  C16   CH3     0.00000     2
   C6     C     0.00000     2
   C7   CR1     0.00000     3
   C8   CR1     0.00000     3
   C9     C     0.00000     4
  C19   CH3     0.00000     4
  C10   CR1     0.00000     4
  C11   CR1     0.00000     5
  C12   CR1     0.00000     5
  C13     C     0.00000     6
  C20   CH3     0.00000     6
  C14   CR1     0.00000     6
  C15   CH2     0.15000     7
  O21    OA    -0.54800     7
  H21     H     0.39800     7
 [ bonds ]
  C18    C1    gb_27   
  C17    C1    gb_27   
   C1    C2    gb_27   
   C1    C6    gb_27   
   C2    C3    gb_27   
   C3    C4    gb_27   
   C4    C5    gb_27   
   C5   C16    gb_27   
   C5    C6    gb_10   
   C6    C7    gb_23   
   C7    C8    gb_13   
   C8    C9    gb_23   
   C9   C19    gb_27   
   C9   C10    gb_13   
  C10   C11    gb_23   
  C11   C12    gb_13   
  C12   C13    gb_23   
  C13   C20    gb_27   
  C13   C14    gb_13   
  C14   C15    gb_23   
  C15   O21    gb_18   
  O21   H21    gb_1    
 [ angles ]
;  ai    aj    ak   gromos type
  C18    C1   C17     ga_13   
  C18    C1    C2     ga_13   
  C18    C1    C6     ga_13   
  C17    C1    C2     ga_13   
  C17    C1    C6     ga_13   
   C2    C1    C6     ga_13   
   C1    C2    C3     ga_13   
   C2    C3    C4     ga_13   
   C3    C4    C5     ga_13   
   C4    C5   C16     ga_27   
   C4    C5    C6     ga_27   
  C16    C5    C6     ga_27   
   C1    C6    C5     ga_27   
   C1    C6    C7     ga_27   
   C5    C6    C7     ga_27   
   C6    C7    C8     ga_27   
   C7    C8    C9     ga_27   
   C8    C9   C19     ga_27   
   C8    C9   C10     ga_27   
  C19    C9   C10     ga_27   
   C9   C10   C11     ga_27   
  C10   C11   C12     ga_27   
  C11   C12   C13     ga_27   
  C12   C13   C20     ga_27   
  C12   C13   C14     ga_27   
  C20   C13   C14     ga_27   
  C13   C14   C15     ga_27   
  C14   C15   O21     ga_13   
  C15   O21   H21     ga_12   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   C5    C4    C6   C16     gi_1    
   C6    C1    C7    C5     gi_1    
   C9    C8   C10   C19     gi_1    
  C13   C12   C14   C20     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
   C6    C1    C2    C3     gd_34   
   C2    C1    C6    C5     gd_34   
   C1    C2    C3    C4     gd_34   
   C2    C3    C4    C5     gd_34   
   C3    C4    C5    C6     gd_34   
   C4    C5    C6    C1     gd_14   
   C5    C6    C7    C8     gd_34   
   C6    C7    C8    C9     gd_14   
   C7    C8    C9   C10     gd_12   
   C8    C9   C10   C11     gd_14   
   C9   C10   C11   C12     gd_12   
  C10   C11   C12   C13     gd_14   
  C11   C12   C13   C14     gd_12   
  C12   C13   C14   C15     gd_14   
  C13   C14   C15   O21     gd_40   
  C14   C15   O21   H21     gd_23   

[ TEMP ]
 [ atoms ]
   O1     O    -0.20000     0
   N1    NR    -0.03600     0
   C1   CH0     0.11800     0
   C4   CH0     0.11800     0
   CA     C     0.00000     1
   C3   CR1     0.00000     1
   C6   CH3     0.00000     2
   C7   CH3     0.00000     3
   C8   CH3     0.00000     4
   C9   CH3     0.00000     5
   C5     C     0.38000     6
   O5     O    -0.38000     6
 [ bonds ]
   O1    N1    gb_6    
   N1    C1    gb_22   
   N1    C4    gb_22   
   C1    CA    gb_25   
   C1    C6    gb_26   
   C1    C7    gb_26   
   C4    C3    gb_25   
   C4    C8    gb_26   
   C4    C9    gb_26   
   CA    C3    gb_7    
   CA    C5    gb_23   
   C5    O5    gb_5    
   C5    +N    gb_10   
 [ exclusions ]
;  ai    aj
   O1    CA
   O1    C3
   O1    C6
   O1    C7
   O1    C8
   O1    C9
   N1    C5
   C1    C8
   C1    C9
   C4    C6
   C4    C7
   C4    C5
   CA    C8
   CA    C9
   C3    C6
   C3    C7
   C6    C5
   C7    C5
 [ angles ]
;  ai    aj    ak   gromos type
   O1    N1    C1     ga_31   
   O1    N1    C4     ga_31   
   C1    N1    C4     ga_19   
   N1    C1    CA     ga_3    
   N1    C1    C6     ga_13   
   N1    C1    C7     ga_13   
   CA    C1    C6     ga_16   
   CA    C1    C7     ga_16   
   C6    C1    C7     ga_15   
   N1    C4    C3     ga_3    
   N1    C4    C8     ga_13   
   N1    C4    C9     ga_13   
   C3    C4    C8     ga_16   
   C3    C4    C9     ga_16   
   C8    C4    C9     ga_15   
   C1    CA    C3     ga_16   
   C1    CA    C5     ga_31   
   C3    CA    C5     ga_35   
   C4    C3    CA     ga_16   
   CA    C5    O5     ga_30   
   CA    C5    +N     ga_19   
   O5    C5    +N     ga_33   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   N1    C1    C4    O1     gi_1    
   N1    C1    CA    C3     gi_1    
   N1    C4    C3    CA     gi_1    
   C1    N1    C4    C3     gi_1    
   C1    CA    C3    C4     gi_1    
   C4    N1    C1    CA     gi_1    
   CA    C1    C3    C5     gi_1    
   C5    CA    +N    O5     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
   C3    CA    C5    +N     gd_14   

[ ETH ]
 [ atoms ]
   EO    OM    -0.60000     0
  EC1   CH2    -0.40000     0
  EC2   CH3     0.00000     0
 [ bonds ]
   EO   EC1    gb_19   
  EC1   EC2    gb_27   
 [ angles ]
;  ai    aj    ak   gromos type
   EO   EC1   EC2     ga_13   
 [ impropers ]
;  ai    aj    ak    al   gromos type
 [ dihedrals ]
;  ai    aj    ak    al   gromos type

[ ETHH ]
 [ atoms ]
   EH     H     0.40800     0
   EO    OA    -0.67400     0
  EC1   CH2     0.26600     0
  EC2   CH3     0.00000     1
 [ bonds ]
   EH    EO    gb_1    
   EO   EC1    gb_18   
  EC1   EC2    gb_27   
 [ angles ]
;  ai    aj    ak   gromos type
   EH    EO   EC1     ga_12   
   EO   EC1   EC2     ga_15   
 [ impropers ]
;  ai    aj    ak    al   gromos type
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
   EH    EO   EC1   EC2     gd_23   

[ CH4 ]
 [ atoms ]
   CM   CH4     0.00000     0
 [ bonds ]
 [ angles ]
;  ai    aj    ak   gromos type
 [ impropers ]
;  ai    aj    ak    al   gromos type
 [ dihedrals ]
;  ai    aj    ak    al   gromos type

[ AR ]
 [ atoms ]
   AR    AR     0.00000     0
 [ bonds ]
 [ angles ]
;  ai    aj    ak   gromos type
 [ impropers ]
;  ai    aj    ak    al   gromos type
 [ dihedrals ]
;  ai    aj    ak    al   gromos type

[ SO42- ]
 [ atoms ]
   S     S     0.54000     0
  O1    OM    -0.63500     0
  O2    OM    -0.63500     0
  O3    OM    -0.63500     0
  O4    OM    -0.63500     0
 [ bonds ]
   S   O1    gb_25   
   S   O2    gb_25   
   S   O3    gb_25   
   S   O4    gb_25   
 [ angles ]
;  ai    aj    ak   gromos type
  O1    S   O2     ga_13   
  O1    S   O3     ga_13   
  O1    S   O4     ga_13   
  O2    S   O3     ga_13   
  O2    S   O4     ga_13   
  O3    S   O4     ga_13   
 [ impropers ]
;  ai    aj    ak    al   gromos type
 [ dihedrals ]
;  ai    aj    ak    al   gromos type

[ ZN ]
 [ atoms ]
   ZN  ZN2+     2.00000     0
 [ bonds ]
 [ angles ]
;  ai    aj    ak   gromos type
 [ impropers ]
;  ai    aj    ak    al   gromos type
 [ dihedrals ]
;  ai    aj    ak    al   gromos type

[ NA ]
 [ atoms ]
   NA   NA+     1.00000     0
 [ bonds ]
 [ angles ]
;  ai    aj    ak   gromos type
 [ impropers ]
;  ai    aj    ak    al   gromos type
 [ dihedrals ]
;  ai    aj    ak    al   gromos type

[ CL ]
 [ atoms ]
   CL   CL-    -1.00000     0
 [ bonds ]
 [ angles ]
;  ai    aj    ak   gromos type
 [ impropers ]
;  ai    aj    ak    al   gromos type
 [ dihedrals ]
;  ai    aj    ak    al   gromos type

[ CA ]
 [ atoms ]
   CA  CA2+     2.00000     0
 [ bonds ]
 [ angles ]
;  ai    aj    ak   gromos type
 [ impropers ]
;  ai    aj    ak    al   gromos type
 [ dihedrals ]
;  ai    aj    ak    al   gromos type

[ MG ]
 [ atoms ]
   MG  MG2+     2.00000     0
 [ bonds ]
 [ angles ]
;  ai    aj    ak   gromos type
 [ impropers ]
;  ai    aj    ak    al   gromos type
 [ dihedrals ]
;  ai    aj    ak    al   gromos type

[ CU1 ]
 [ atoms ]
   CU  CU1+     1.00000     0
 [ bonds ]
 [ angles ]
;  ai    aj    ak   gromos type
 [ impropers ]
;  ai    aj    ak    al   gromos type
 [ dihedrals ]
;  ai    aj    ak    al   gromos type

[ CU ]
 [ atoms ]
   CU  CU2+     2.00000     0
 [ bonds ]
 [ angles ]
;  ai    aj    ak   gromos type
 [ impropers ]
;  ai    aj    ak    al   gromos type
 [ dihedrals ]
;  ai    aj    ak    al   gromos type

[ H2O ]
 [ atoms ]
   OW    OW    -0.82000     0
  HW1     H     0.41000     0
  HW2     H     0.41000     0
 [ bonds ]
   OW   HW1    gb_38   
   OW   HW2    gb_38   
  HW1   HW2    gb_46   
 [ angles ]
;  ai    aj    ak   gromos type
 [ impropers ]
;  ai    aj    ak    al   gromos type
 [ dihedrals ]
;  ai    aj    ak    al   gromos type

[ HOH ]
 [ atoms ]
   OW    OW    -0.82000     0
  HW1     H     0.41000     0
  HW2     H     0.41000     0
 [ bonds ]
   OW   HW1    gb_38   
   OW   HW2    gb_38   
  HW1   HW2    gb_46   
 [ angles ]
;  ai    aj    ak   gromos type
 [ impropers ]
;  ai    aj    ak    al   gromos type
 [ dihedrals ]
;  ai    aj    ak    al   gromos type

[ H2OE ]
 [ atoms ]
   OW    OW    -0.84760     0
  HW1     H     0.42380     0
  HW2     H     0.42380     0
 [ bonds ]
   OW   HW1    gb_38   
   OW   HW2    gb_38   
  HW1   HW2    gb_46   
 [ angles ]
;  ai    aj    ak   gromos type
 [ impropers ]
;  ai    aj    ak    al   gromos type
 [ dihedrals ]
;  ai    aj    ak    al   gromos type

[ CHCL3 ]
 [ atoms ]
 CChl  CChl     0.17900     0
 HChl  HChl     0.08200     0
CLCh1 CLChl    -0.08700     0
CLCh2 CLChl    -0.08700     0
CLCh3 CLChl    -0.08700     0
 [ bonds ]
 CChl CLCh1    gb_40   
 CChl CLCh2    gb_40   
 CChl CLCh3    gb_40   
 HChl CLCh1    gb_47   
 HChl CLCh2    gb_47   
 HChl CLCh3    gb_47   
CLCh1 CLCh2    gb_48   
CLCh1 CLCh3    gb_48   
CLCh2 CLCh3    gb_48   
 [ angles ]
;  ai    aj    ak   gromos type
 [ impropers ]
;  ai    aj    ak    al   gromos type
 [ dihedrals ]
;  ai    aj    ak    al   gromos type

[ DMSO ]
 [ atoms ]
SDmso SDmso     0.12753     0
ODmso ODmso    -0.44753     0
CDms1 CDmso     0.16000     0
CDms2 CDmso     0.16000     0
 [ bonds ]
SDmso ODmso    gb_41   
SDmso CDms1    gb_42   
SDmso CDms2    gb_42   
ODmso CDms1    gb_49   
ODmso CDms2    gb_49   
CDms1 CDms2    gb_50   
 [ angles ]
;  ai    aj    ak   gromos type
 [ impropers ]
;  ai    aj    ak    al   gromos type
 [ dihedrals ]
;  ai    aj    ak    al   gromos type

[ CH3OH ]
 [ atoms ]
 Omet  OMet    -0.67400     0
 HMet     H     0.40800     0
 CMet  CMet     0.26600     0
 [ bonds ]
 Omet  HMet    gb_1    
 Omet  CMet    gb_27   
 HMet  CMet    gb_51   
 [ angles ]
;  ai    aj    ak   gromos type
 [ impropers ]
;  ai    aj    ak    al   gromos type
 [ dihedrals ]
;  ai    aj    ak    al   gromos type

[ CCL4 ]
 [ atoms ]
 CCl4  CCl4     0.00000     0
CLCl1 CLCl4     0.00000     0
CLCl2 CLCl4     0.00000     0
CLCl3 CLCl4     0.00000     0
CLCl4 CLCl4     0.00000     0
 [ bonds ]
 CCl4 CLCl1    gb_43   
 CCl4 CLCl2    gb_43   
 CCl4 CLCl3    gb_43   
 CCl4 CLCl4    gb_43   
CLCl1 CLCl2    gb_52   
CLCl1 CLCl3    gb_52   
CLCl1 CLCl4    gb_52   
CLCl2 CLCl3    gb_52   
CLCl2 CLCl4    gb_52   
 [ angles ]
;  ai    aj    ak   gromos type
 [ impropers ]
;  ai    aj    ak    al   gromos type
 [ dihedrals ]
;  ai    aj    ak    al   gromos type

[ TFE ]
 [ atoms ]
   HT     H     0.41000     0
   OT  OTFE    -0.62500     0
 CH2T CHTFE     0.27300     0
   CT  CTFE     0.45200     0
  F1T  FTFE    -0.17000     0
  F2T  FTFE    -0.17000     0
  F3T  FTFE    -0.17000     0
 [ bonds ]
   HT    OT    gb_1    
   OT  CH2T    gb_18   
 CH2T    CT    gb_27   
   CT   F1T    gb_13   
   CT   F2T    gb_13   
   CT   F3T    gb_13   
 [ angles ]
;  ai    aj    ak   gromos type
   HT    OT  CH2T     ga_50   
   OT  CH2T    CT     ga_51   
 CH2T    CT   F1T     ga_52   
 CH2T    CT   F2T     ga_52   
 CH2T    CT   F3T     ga_52   
  F1T    CT   F2T     ga_49   
  F1T    CT   F3T     ga_49   
  F2T    CT   F3T     ga_49   
 [ impropers ]
;  ai    aj    ak    al   gromos type
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
   HT    OT  CH2T    CT     gd_24   

[ UREA ]
 [ atoms ]
   OU OUrea    -0.39000     0
   CU CUrea     0.14200     0
  N1U NUrea    -0.54200     0
 H11U     H     0.33300     0
 H12U     H     0.33300     0
  N2U NUrea    -0.54200     0
 H21U     H     0.33300     0
 H22U     H     0.33300     0
 [ bonds ]
   OU    CU    gb_44   
   CU   N1U    gb_45   
   CU   N2U    gb_45   
  N1U  H11U    gb_2    
  N1U  H12U    gb_2    
  N2U  H21U    gb_2    
  N2U  H22U    gb_2    
 [ exclusions ]
;  ai    aj
   OU  H11U
   OU  H12U
   OU  H21U
   OU  H22U
  N1U  H21U
  N1U  H22U
 H11U   N2U
 H11U  H21U
 H11U  H22U
 H12U   N2U
 H12U  H21U
 H12U  H22U
 [ angles ]
;  ai    aj    ak   gromos type
   OU    CU   N1U     ga_54   
   OU    CU   N2U     ga_54   
  N1U    CU   N2U     ga_53   
   CU   N1U  H11U     ga_23   
   CU   N1U  H12U     ga_23   
 H11U   N1U  H12U     ga_24   
   CU   N2U  H21U     ga_23   
   CU   N2U  H22U     ga_23   
 H21U   N2U  H22U     ga_24   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   CU   N1U   N2U    OU     gi_1    
  N1U  H11U  H12U    CU     gi_1    
  N2U  H21U  H22U    CU     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
   OU    CU   N1U  H11U     gd_15   
   OU    CU   N2U  H21U     gd_15   
