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

[ ACE ]
 [ atoms ]
    CA   CH3   0.000     0
     C     C   0.380     1
     O     O  -0.380     1
 [ bonds ]
     C    CA   gb_26
     C     O   gb_4
     C    +N   gb_9
 [ angles ]
   CA     C     O    ga_30
   CA     C    +N    ga_18
    O     C    +N    ga_32
 [ 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_8
 [ angles ]
     -O -C N  ga_32
     -CA -C N ga_18
     -C N H1  ga_22
     -C N H2  ga_22
     H1 N H2  ga_23
 [ dihedrals ]
    -CA -C N H1 gd_4
 [ impropers ]
    -C -O N -CA gi_1
     N  H1 H2  -C gi_1

[ ALA ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     0
   CA   CH1     0.00000     1
   CB   CH3     0.00000     1
    C     C       0.380     2
    O     O      -0.380     2
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   

[ ARG ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     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       0.380     3
    O     O      -0.380     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB    CG    gb_26   
   CG    CD    gb_26   
   CD    NE    gb_20   
   NE    HE    gb_2    
   NE    CZ    gb_10   
   CZ   NH1    gb_10   
   CZ   NH2    gb_10   
  NH1  HH11    gb_2    
  NH1  HH12    gb_2    
  NH2  HH21    gb_2    
  NH2  HH22    gb_2    
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB    CG     ga_14   
   CB    CG    CD     ga_14   
   CG    CD    NE     ga_12   
   CD    NE    HE     ga_19   
   HE    NE    CZ     ga_22   
   CD    NE    CZ     ga_32   
   NE    CZ   NH1     ga_27   
   NE    CZ   NH2     ga_27   
  NH1    CZ   NH2     ga_27   
   CZ   NH1  HH11     ga_22   
   CZ   NH1  HH12     ga_22   
 HH11   NH1  HH12     ga_23   
   CZ   NH2  HH21     ga_22   
   CZ   NH2  HH22     ga_22   
 HH21   NH2  HH22     ga_23   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     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    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB    CG     gd_17   
   CA    CB    CG    CD     gd_17   
   CB    CG    CD    NE     gd_17   
   CG    CD    NE    CZ     gd_19   
   CD    NE    CZ   NH1     gd_4    
   NE    CZ   NH1  HH11     gd_4    
   NE    CZ   NH2  HH21     gd_4    

[ ARGN ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG   CH2     0.00000     2
   CD   CH2     0.00000     2
   NE    NE    -0.28000     3
   HE     H     0.28000     3
   CZ     C     0.15000     4
  NH1    NE    -0.54800     4
  HH1     H     0.39800     4
  NH2    NZ    -0.83000     5
 HH21     H     0.41500     5
 HH22     H     0.41500     5
    C     C       0.380     6
    O     O      -0.380     6
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB    CG    gb_26   
   CG    CD    gb_26   
   CD    NE    gb_20   
   NE    HE    gb_2    
   NE    CZ    gb_10   
   CZ   NH1    gb_10   
   CZ   NH2    gb_10   
  NH1   HH1    gb_2    
  NH2  HH21    gb_2    
  NH2  HH22    gb_2    
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB    CG     ga_14   
   CB    CG    CD     ga_14   
   CG    CD    NE     ga_12   
   CD    NE    HE     ga_19   
   HE    NE    CZ     ga_22   
   CD    NE    CZ     ga_32   
   NE    CZ   NH1     ga_27   
   NE    CZ   NH2     ga_27   
  NH1    CZ   NH2     ga_27   
   CZ   NH1   HH1     ga_22   
   CZ   NH2  HH21     ga_22   
   CZ   NH2  HH22     ga_22   
 HH21   NH2  HH22     ga_23   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     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    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB    CG     gd_17   
   CA    CB    CG    CD     gd_17   
   CB    CG    CD    NE     gd_17   
   CG    CD    NE    CZ     gd_19   
   CD    NE    CZ   NH1     gd_4    
   NE    CZ   NH1   HH1     gd_4    
   NE    CZ   NH2  HH21     gd_4    

[ ASN ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG     C     0.38000     2
  OD1     O    -0.38000     2
  ND2    NT    -0.83000     3
 HD21     H     0.41500     3
 HD22     H     0.41500     3
    C     C       0.380     4
    O     O      -0.380     4
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB    CG    gb_26   
   CG   OD1    gb_4    
   CG   ND2    gb_8    
  ND2  HD21    gb_2    
  ND2  HD22    gb_2    
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB    CG     ga_14   
   CB    CG   OD1     ga_29   
   CB    CG   ND2     ga_18   
  OD1    CG   ND2     ga_32   
   CG   ND2  HD21     ga_22   
   CG   ND2  HD22     ga_22   
 HD21   ND2  HD22     ga_23   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
   CG   OD1   ND2    CB     gi_1    
  ND2  HD21  HD22    CG     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB    CG     gd_17   
   CA    CB    CG   ND2     gd_20   
   CB    CG   ND2  HD21     gd_4    

[ ASN1 ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG     C     0.38000     2
  OD1     O    -0.38000     2
  ND2    NL    -0.83000     3
 HD21     H     0.41500     3
 HD22     H     0.41500     3
    C     C       0.380     4
    O     O      -0.380     4
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB    CG    gb_26   
   CG   OD1    gb_4    
   CG   ND2    gb_8    
  ND2  HD21    gb_2    
  ND2  HD22    gb_2    
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB    CG     ga_14   
   CB    CG   OD1     ga_29   
   CB    CG   ND2     ga_18   
  OD1    CG   ND2     ga_32   
   CG   ND2  HD21     ga_22   
   CG   ND2  HD22     ga_22   
 HD21   ND2  HD22     ga_23   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
   CG   OD1   ND2    CB     gi_1    
  ND2  HD21  HD22    CG     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB    CG     gd_17   
   CA    CB    CG   ND2     gd_20   
   CB    CG   ND2  HD21     gd_4    

[ ASP ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     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       0.380     3
    O     O      -0.380     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB    CG    gb_26   
   CG   OD1    gb_5    
   CG   OD2    gb_5    
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB    CG     ga_14   
   CB    CG   OD1     ga_21   
   CB    CG   OD2     ga_21   
  OD1    CG   OD2     ga_37   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
   CG   OD1   OD2    CB     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB    CG     gd_17   
   CA    CB    CG   OD1     gd_20   

[ ASPH ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG     C     0.53000     2
  OD1     O    -0.38000     2
  OD2    OA    -0.54800     2
  HD2     H     0.39800     2
    C     C       0.380     3
    O     O      -0.380     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB    CG    gb_26   
   CG   OD1    gb_4    
   CG   OD2    gb_12   
  OD2   HD2    gb_1    
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB    CG     ga_14   
   CB    CG   OD1     ga_29   
   CB    CG   OD2     ga_18   
  OD1    CG   OD2     ga_32   
   CG   OD2   HD2     ga_11   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
   CG   OD1   OD2    CB     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB    CG     gd_17   
   CA    CB    CG   OD2     gd_20   
   CB    CG   OD2   HD2     gd_3    

[ CYS ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     0
   CA   CH1     0.00000     1
   CB   CH2    -0.10000     2
   SG     S    -0.40000     2
    C     C       0.380     3
    O     O      -0.380     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB    SG    gb_30   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB    SG     ga_15   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB    SG     gd_17   

[ CYSH ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   SG     S    -0.06400     2
   HG     H     0.06400     2
    C     C       0.380     3
    O     O      -0.380     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB    SG    gb_30   
   SG    HG    gb_7    
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB    SG     ga_15   
   CB    SG    HG     ga_2    
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB    SG     gd_17   
   CA    CB    SG    HG     gd_13   

[ CYS1 ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   SG     S     0.00000     1
    C     C       0.380     2
    O     O      -0.380     2
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB    SG    gb_30   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB    SG     ga_15   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB    SG     gd_17   

[ CYS2 ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   SG     S     0.00000     1
    C     C       0.380     2
    O     O      -0.380     2
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB    SG    gb_30   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB    SG     ga_15   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB    SG     gd_17   

[ GLN ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG   CH2     0.00000     1
   CD     C     0.38000     2
  OE1     O    -0.38000     2
  NE2    NT    -0.83000     3
 HE21     H     0.41500     3
 HE22     H     0.41500     3
    C     C       0.380     4
    O     O      -0.380     4
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB    CG    gb_26   
   CG    CD    gb_26   
   CD   OE1    gb_4    
   CD   NE2    gb_8    
  NE2  HE21    gb_2    
  NE2  HE22    gb_2    
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB    CG     ga_14   
   CB    CG    CD     ga_14   
   CG    CD   OE1     ga_29   
   CG    CD   NE2     ga_18   
  OE1    CD   NE2     ga_32   
   CD   NE2  HE21     ga_22   
   CD   NE2  HE22     ga_22   
 HE21   NE2  HE22     ga_23   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
   CD   OE1   NE2    CG     gi_1    
  NE2  HE21  HE22    CD     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB    CG     gd_17   
   CA    CB    CG    CD     gd_17   
   CB    CG    CD   NE2     gd_20   
   CG    CD   NE2  HE21     gd_4    

[ GLU ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     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       0.380     3
    O     O      -0.380     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB    CG    gb_26   
   CG    CD    gb_26   
   CD   OE1    gb_5    
   CD   OE2    gb_5    
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB    CG     ga_14   
   CB    CG    CD     ga_14   
   CG    CD   OE1     ga_21   
   CG    CD   OE2     ga_21   
  OE1    CD   OE2     ga_37   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
   CD   OE1   OE2    CG     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB    CG     gd_17   
   CA    CB    CG    CD     gd_17   
   CB    CG    CD   OE2     gd_20   

[ GLUH ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG   CH2     0.00000     1
   CD     C     0.53000     2
  OE1     O    -0.38000     2
  OE2    OA    -0.54800     2
  HE2     H     0.39800     2
    C     C       0.380     3
    O     O      -0.380     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB    CG    gb_26   
   CG    CD    gb_26   
   CD   OE1    gb_4    
   CD   OE2    gb_12   
  OE2   HE2    gb_1    
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB    CG     ga_14   
   CB    CG    CD     ga_14   
   CG    CD   OE1     ga_29   
   CG    CD   OE2     ga_18   
  OE1    CD   OE2     ga_32   
   CD   OE2   HE2     ga_11   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
   CD   OE1   OE2    CG     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB    CG     gd_17   
   CA    CB    CG    CD     gd_17   
   CB    CG    CD   OE2     gd_20   
   CG    CD   OE2   HE2     gd_3    

[ GLY ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     0
   CA   CH2     0.00000     1
    C     C       0.380     2
    O     O      -0.380     2
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
 [ 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_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   

[ HISA ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG     C     0.00000     2
  ND1    NR     0.00000     2
  HD1     H     0.19000     2
  CD2   CR1     0.13000     2
  CE1   CR1     0.26000     2
  NE2    NR    -0.58000     2
    C     C       0.380     3
    O     O      -0.380     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB    CG    gb_26   
   CG   ND1    gb_9    
   CG   CD2    gb_9    
  ND1   HD1    gb_2    
  ND1   CE1    gb_9    
  CD2   NE2    gb_9    
  CE1   NE2    gb_9    
 [ exclusions ]
;  ai    aj
   CB   HD1
   CB   CE1
   CB   NE2
  HD1   CD2
  HD1   NE2
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB    CG     ga_14   
   CB    CG   ND1     ga_36   
   CB    CG   CD2     ga_36   
  ND1    CG   CD2     ga_6    
   CG   ND1   HD1     ga_35   
   CG   ND1   CE1     ga_6    
  HD1   ND1   CE1     ga_35   
   CG   CD2   NE2     ga_6    
  ND1   CE1   NE2     ga_6    
  CD2   NE2   CE1     ga_6    
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
   CG   ND1   CD2    CB     gi_1    
  CD2    CG   ND1   CE1     gi_1    
  ND1    CG   CD2   NE2     gi_1    
   CG   ND1   CE1   NE2     gi_1    
   CG   CD2   NE2   CE1     gi_1    
  CD2   NE2   CE1   ND1     gi_1    
  ND1    CG   CE1   HD1     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB    CG     gd_17   
   CA    CB    CG   ND1     gd_20   

[ HISB ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG     C     0.13000     2
  ND1    NR    -0.58000     2
  CD2   CR1     0.00000     2
  CE1   CR1     0.26000     2
  NE2    NR     0.00000     2
  HE2     H     0.19000     2
    C     C       0.380     3
    O     O      -0.380     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB    CG    gb_26   
   CG   ND1    gb_9    
   CG   CD2    gb_9    
  ND1   CE1    gb_9    
  CD2   NE2    gb_9    
  CE1   NE2    gb_9    
  NE2   HE2    gb_2    
 [ exclusions ]
;  ai    aj
   CB   CE1
   CB   NE2
   CG   HE2
  ND1   HE2
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB    CG     ga_14   
   CB    CG   ND1     ga_36   
   CB    CG   CD2     ga_36   
  ND1    CG   CD2     ga_6    
   CG   ND1   CE1     ga_6    
   CG   CD2   NE2     ga_6    
  ND1   CE1   NE2     ga_6    
  CD2   NE2   CE1     ga_6    
  CD2   NE2   HE2     ga_35   
  CE1   NE2   HE2     ga_35   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
   CG   ND1   CD2    CB     gi_1    
  CD2    CG   ND1   CE1     gi_1    
  ND1    CG   CD2   NE2     gi_1    
   CG   ND1   CE1   NE2     gi_1    
   CG   CD2   NE2   CE1     gi_1    
  CD2   NE2   CE1   ND1     gi_1    
  NE2   CD2   CE1   HE2     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB    CG     gd_17   
   CA    CB    CG   ND1     gd_20   

[ HISH ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     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   CR1     0.00000     2
  CE1   CR1    -0.24000     2
  NE2    NR     0.31000     2
  HE2     H     0.30000     2
    C     C       0.380     3
    O     O      -0.380     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB    CG    gb_26   
   CG   ND1    gb_9    
   CG   CD2    gb_9    
  ND1   HD1    gb_2    
  ND1   CE1    gb_9    
  CD2   NE2    gb_9    
  CE1   NE2    gb_9    
  NE2   HE2    gb_2    
 [ exclusions ]
;  ai    aj
   CB   HD1
   CB   CE1
   CB   NE2
   CG   HE2
  ND1   HE2
  HD1   CD2
  HD1   NE2
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB    CG     ga_14   
   CB    CG   ND1     ga_36   
   CB    CG   CD2     ga_36   
  ND1    CG   CD2     ga_6    
   CG   ND1   HD1     ga_35   
   CG   ND1   CE1     ga_6    
  HD1   ND1   CE1     ga_35   
   CG   CD2   NE2     ga_6    
  ND1   CE1   NE2     ga_6    
  CD2   NE2   CE1     ga_6    
  CD2   NE2   HE2     ga_35   
  CE1   NE2   HE2     ga_35   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
   CG   ND1   CD2    CB     gi_1    
  CD2    CG   ND1   CE1     gi_1    
  ND1    CG   CD2   NE2     gi_1    
   CG   ND1   CE1   NE2     gi_1    
   CG   CD2   NE2   CE1     gi_1    
  CD2   NE2   CE1   ND1     gi_1    
  ND1    CG   CE1   HD1     gi_1    
  NE2   CD2   CE1   HE2     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB    CG     gd_17   
   CA    CB    CG   ND1     gd_20   

[ HIS1 ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG     C     0.00000     2
  ND1    NR     0.00000     2
  HD1     H     0.19000     2
  CD2   CR1     0.13000     2
  CE1   CR1     0.26000     2
  NE2    NR    -0.58000     2
    C     C       0.380     3
    O     O      -0.380     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB    CG    gb_26   
   CG   ND1    gb_9    
   CG   CD2    gb_9    
  ND1   HD1    gb_2    
  ND1   CE1    gb_9    
  CD2   NE2    gb_9    
  CE1   NE2    gb_9    
 [ exclusions ]
;  ai    aj
   CB   HD1
   CB   CE1
   CB   NE2
  HD1   CD2
  HD1   NE2
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB    CG     ga_14   
   CB    CG   ND1     ga_36   
   CB    CG   CD2     ga_36   
  ND1    CG   CD2     ga_6    
   CG   ND1   HD1     ga_35   
   CG   ND1   CE1     ga_6    
  HD1   ND1   CE1     ga_35   
   CG   CD2   NE2     ga_6    
  ND1   CE1   NE2     ga_6    
  CD2   NE2   CE1     ga_6    
  CD2   NE2    -C     ga_33   
  CE1   NE2    -C     ga_33   
  NE2    -C   -CA     ga_16   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
   CG   ND1   CD2    CB     gi_1    
  CD2    CG   ND1   CE1     gi_1    
  ND1    CG   CD2   NE2     gi_1    
   CG   ND1   CE1   NE2     gi_1    
   CG   CD2   NE2   CE1     gi_1    
  CD2   NE2   CE1   ND1     gi_1    
  ND1    CG   CE1   HD1     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB    CG     gd_17   
   CA    CB    CG   ND1     gd_20   
  CD2   NE2    -C   -CA     gd_18   

[ HYP ]
 [ atoms ]
    N     N     0.00000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG   CH1     0.15000     2
  OD1    OA    -0.54800     2
  HD1     H     0.39800     2
  CD2   CH2     0.00000     3
    C     C       0.380     4
    O     O      -0.380     4
 [ bonds ]
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB    CG    gb_26   
   CG   OD1    gb_17   
  OD1   HD1    gb_1    
   CG   CD2    gb_26   
  CD2     N    gb_20   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB    CG     ga_12   
   CB    CG   OD1     ga_12   
   CB    CG   CD2     ga_12   
   CG   OD1   HD1     ga_11   
  OD1    CG   CD2     ga_12   
   CG   CD2     N     ga_12   
  CD2     N    CA     ga_20   
   -C     N   CD2     ga_30   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA   CD2     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
   CG   CD2    CB   OD1     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB    CG     gd_17   
   CA    CB    CG   CD2     gd_17   
   CB    CG   CD2     N     gd_17   
   CG   CD2     N    CA     gd_19   
   CB    CG   OD1   HD1     gd_12   

[ ILE ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     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       0.380     3
    O     O      -0.380     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB   CG1    gb_26   
   CB   CG2    gb_26   
  CG1    CD    gb_26   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB   CG1     ga_14   
   CA    CB   CG2     ga_14   
  CG1    CB   CG2     ga_14   
   CB   CG1    CD     ga_14   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
   CB   CG1   CG2    CA     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB   CG1     gd_17   
   CA    CB   CG1    CD     gd_17   

[ LEU ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     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       0.380     3
    O     O      -0.380     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB    CG    gb_26   
   CG   CD1    gb_26   
   CG   CD2    gb_26   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB    CG     ga_14   
   CB    CG   CD1     ga_14   
   CB    CG   CD2     ga_14   
  CD1    CG   CD2     ga_14   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
   CG   CD2   CD1    CB     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB    CG     gd_17   
   CA    CB    CG   CD1     gd_17   

[ LYS ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG   CH2     0.00000     2
   CD   CH2     0.00000     2
   CE   CH2     0.00000     3
   NZ    NT    -0.83000     3
  HZ1     H     0.41500     3
  HZ2     H     0.41500     3
    C     C       0.380     4
    O     O      -0.380     4
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB    CG    gb_26   
   CG    CD    gb_26   
   CD    CE    gb_26   
   CE    NZ    gb_20   
   NZ   HZ1    gb_2    
   NZ   HZ2    gb_2    
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB    CG     ga_14   
   CB    CG    CD     ga_14   
   CG    CD    CE     ga_14   
   CD    CE    NZ     ga_14   
   CE    NZ   HZ1     ga_10   
   CE    NZ   HZ2     ga_10   
  HZ1    NZ   HZ2     ga_9    
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB    CG     gd_17   
   CA    CB    CG    CD     gd_17   
   CB    CG    CD    CE     gd_17   
   CG    CD    CE    NZ     gd_17   
   CD    CE    NZ   HZ1     gd_14   

[ LYSH ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     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       0.380     4
    O     O      -0.380     4
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB    CG    gb_26   
   CG    CD    gb_26   
   CD    CE    gb_26   
   CE    NZ    gb_20   
   NZ   HZ1    gb_2    
   NZ   HZ2    gb_2    
   NZ   HZ3    gb_2    
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB    CG     ga_14   
   CB    CG    CD     ga_14   
   CG    CD    CE     ga_14   
   CD    CE    NZ     ga_14   
   CE    NZ   HZ1     ga_10   
   CE    NZ   HZ2     ga_10   
   CE    NZ   HZ3     ga_10   
  HZ1    NZ   HZ2     ga_9    
  HZ1    NZ   HZ3     ga_9    
  HZ2    NZ   HZ3     ga_9    
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB    CG     gd_17   
   CA    CB    CG    CD     gd_17   
   CB    CG    CD    CE     gd_17   
   CG    CD    CE    NZ     gd_17   
   CD    CE    NZ   HZ1     gd_14   

[ MET ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG   CH2     0.00000     1
   SD     S     0.00000     2
   CE   CH3     0.00000     2
    C     C       0.380     3
    O     O      -0.380     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB    CG    gb_26   
   CG    SD    gb_30   
   SD    CE    gb_29   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB    CG     ga_14   
   CB    CG    SD     ga_15   
   CG    SD    CE     ga_3    
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB    CG     gd_17   
   CA    CB    CG    SD     gd_17   
   CB    CG    SD    CE     gd_13   

[ PHE ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG     C     0.00000     1
  CD1     C    -0.10000     2
  HD1    HC     0.10000     2
  CD2     C    -0.10000     3
  HD2    HC     0.10000     3
  CE1     C    -0.10000     4
  HE1    HC     0.10000     4
  CE2     C    -0.10000     5
  HE2    HC     0.10000     5
   CZ     C    -0.10000     6
   HZ    HC     0.10000     6
    C     C       0.380     7
    O     O      -0.380     7
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB    CG    gb_26   
   CG   CD1    gb_15   
   CG   CD2    gb_15   
  CD1   HD1    gb_3    
  CD1   CE1    gb_15   
  CD2   HD2    gb_3    
  CD2   CE2    gb_15   
  CE1   HE1    gb_3    
  CE1    CZ    gb_15   
  CE2   HE2    gb_3    
  CE2    CZ    gb_15   
   CZ    HZ    gb_3    
 [ 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_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB    CG     ga_14   
   CB    CG   CD1     ga_26   
   CB    CG   CD2     ga_26   
  CD1    CG   CD2     ga_26   
   CG   CD1   HD1     ga_24   
  HD1   CD1   CE1     ga_24   
   CG   CD1   CE1     ga_26   
   CG   CD2   HD2     ga_24   
  HD2   CD2   CE2     ga_24   
   CG   CD2   CE2     ga_26   
  CD1   CE1   HE1     ga_24   
  HE1   CE1    CZ     ga_24   
  CD1   CE1    CZ     ga_26   
  CD2   CE2   HE2     ga_24   
  HE2   CE2    CZ     ga_24   
  CD2   CE2    CZ     ga_26   
  CE1    CZ    HZ     ga_24   
  CE2    CZ    HZ     ga_24   
  CE1    CZ   CE2     ga_26   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
   CG   CD1   CD2    CB     gi_1    
  CD2    CG   CD1   CE1     gi_1    
  CD1    CG   CD2   CE2     gi_1    
   CG   CD1   CE1    CZ     gi_1    
   CG   CD2   CE2    CZ     gi_1    
  CD1   CE1    CZ   CE2     gi_1    
  CD2   CE2    CZ   CE1     gi_1    
  CD1    CG   CE1   HD1     gi_1    
  CD2    CG   CE2   HD2     gi_1    
  CE1    CZ   CD1   HE1     gi_1    
  CE2    CZ   CD2   HE2     gi_1    
   CZ   CE1   CE2    HZ     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB    CG     gd_17   
   CA    CB    CG   CD1     gd_20   

[ PRO ]
 [ atoms ]
    N     N     0.00000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG   CH2     0.00000     2
   CD   CH2     0.00000     2
    C     C       0.380     3
    O     O      -0.380     3
 [ bonds ]
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB    CG    gb_26   
   CG    CD    gb_26   
   CD     N    gb_20   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB    CG     ga_12   
   CB    CG    CD     ga_12   
   CG    CD     N     ga_12   
   CD     N    CA     ga_20   
   -C     N    CD     ga_30   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA    CD     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB    CG     gd_17   
   CA    CB    CG    CD     gd_17   
   CB    CG    CD     N     gd_17   
   CG    CD     N    CA     gd_19   

[ SER ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     0
   CA   CH1     0.00000     1
   CB   CH2     0.15000     2
   OG    OA    -0.54800     2
   HG     H     0.39800     2
    C     C       0.380     3
    O     O      -0.380     3
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB    OG    gb_17   
   OG    HG    gb_1    
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB    OG     ga_12   
   CB    OG    HG     ga_11   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB    OG     gd_17   
   CA    CB    OG    HG     gd_12   

[ THR ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     0
   CA   CH1     0.00000     1
   CB   CH1     0.15000     2
  OG1    OA    -0.54800     2
  HG1     H     0.39800     2
  CG2   CH3     0.00000     3
    C     C       0.380     4
    O     O      -0.380     4
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB   OG1    gb_17   
   CB   CG2    gb_26   
  OG1   HG1    gb_1    
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB   OG1     ga_12   
   CA    CB   CG2     ga_14   
  OG1    CB   CG2     ga_14   
   CB   OG1   HG1     ga_11   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
   CB   OG1   CG2    CA     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB   OG1     gd_17   
   CA    CB   OG1   HG1     gd_12   

[ TRP ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG     C    -0.14000     2
  CD1     C    -0.10000     2
  HD1    HC     0.10000     2
  CD2     C     0.00000     2
  NE1    NR    -0.05000     2
  HE1     H     0.19000     2
  CE2     C     0.00000     2
  CE3     C    -0.10000     3
  HE3    HC     0.10000     3
  CZ2     C    -0.10000     4
  HZ2    HC     0.10000     4
  CZ3     C    -0.10000     5
  HZ3    HC     0.10000     5
  CH2     C    -0.10000     6
  HH2    HC     0.10000     6
    C     C       0.380     7
    O     O      -0.380     7
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB    CG    gb_26   
   CG   CD1    gb_9    
   CG   CD2    gb_15   
  CD1   HD1    gb_3    
  CD1   NE1    gb_9    
  CD2   CE2    gb_15   
  CD2   CE3    gb_15   
  NE1   HE1    gb_2    
  NE1   CE2    gb_9    
  CE2   CZ2    gb_15   
  CE3   HE3    gb_3    
  CE3   CZ3    gb_15   
  CZ2   HZ2    gb_3    
  CZ2   CH2    gb_15   
  CZ3   HZ3    gb_3    
  CZ3   CH2    gb_15   
  CH2   HH2    gb_3    
 [ 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_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB    CG     ga_14   
   CB    CG   CD1     ga_36   
   CB    CG   CD2     ga_36   
  CD1    CG   CD2     ga_6    
   CG   CD1   HD1     ga_35   
  HD1   CD1   NE1     ga_35   
   CG   CD1   NE1     ga_6    
   CG   CD2   CE2     ga_6    
  CD1   NE1   CE2     ga_6    
  CD1   NE1   HE1     ga_35   
  HE1   NE1   CE2     ga_35   
  NE1   CE2   CD2     ga_6    
   CG   CD2   CE3     ga_38   
  NE1   CE2   CZ2     ga_38   
  CD2   CE2   CZ2     ga_26   
  CE2   CD2   CE3     ga_26   
  CD2   CE3   HE3     ga_24   
  HE3   CE3   CZ3     ga_24   
  CD2   CE3   CZ3     ga_26   
  CE2   CZ2   HZ2     ga_24   
  HZ2   CZ2   CH2     ga_24   
  CE2   CZ2   CH2     ga_26   
  CE3   CZ3   HZ3     ga_24   
  HZ3   CZ3   CH2     ga_24   
  CE3   CZ3   CH2     ga_26   
  CZ2   CH2   HH2     ga_24   
  HH2   CH2   CZ3     ga_24   
  CZ2   CH2   CZ3     ga_26   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
   CG   CD1   CD2    CB     gi_1    
  CD2    CG   CD1   NE1     gi_1    
  CD1    CG   CD2   CE2     gi_1    
   CG   CD1   NE1   CE2     gi_1    
   CG   CD2   CE2   NE1     gi_1    
  CD1   NE1   CE2   CD2     gi_1    
  CD1    CG   NE1   HD1     gi_1    
  NE1   CD1   CE2   HE1     gi_1    
  CD2   CE2   CE3    CG     gi_1    
  CE2   CD2   CZ2   NE1     gi_1    
  CE3   CD2   CE2   CZ2     gi_1    
  CD2   CE2   CZ2   CH2     gi_1    
  CE2   CD2   CE3   CZ3     gi_1    
  CE2   CZ2   CH2   CZ3     gi_1    
  CD2   CE3   CZ3   CH2     gi_1    
  CE3   CZ3   CH2   CZ2     gi_1    
  CE3   CD2   CZ3   HE3     gi_1    
  CZ2   CE2   CH2   HZ2     gi_1    
  CZ3   CE3   CH2   HZ3     gi_1    
  CH2   CZ2   CZ3   HH2     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB    CG     gd_17   
   CA    CB    CG   CD2     gd_20   

[ TYR ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG     C     0.00000     1
  CD1     C    -0.10000     2
  HD1    HC     0.10000     2
  CD2     C    -0.10000     3
  HD2    HC     0.10000     3
  CE1     C    -0.10000     4
  HE1    HC     0.10000     4
  CE2     C    -0.10000     5
  HE2    HC     0.10000     5
   CZ     C     0.15000     6
   OH    OA    -0.54800     6
   HH     H     0.39800     6
    C     C       0.380     7
    O     O      -0.380     7
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB    CG    gb_26   
   CG   CD1    gb_15   
   CG   CD2    gb_15   
  CD1   HD1    gb_3    
  CD1   CE1    gb_15   
  CD2   HD2    gb_3    
  CD2   CE2    gb_15   
  CE1   HE1    gb_3    
  CE1    CZ    gb_15   
  CE2   HE2    gb_3    
  CE2    CZ    gb_15   
   CZ    OH    gb_12   
   OH    HH    gb_1    
 [ 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_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB    CG     ga_14   
   CB    CG   CD1     ga_26   
   CB    CG   CD2     ga_26   
  CD1    CG   CD2     ga_26   
   CG   CD1   HD1     ga_24   
  HD1   CD1   CE1     ga_24   
   CG   CD1   CE1     ga_26   
   CG   CD2   HD2     ga_24   
  HD2   CD2   CE2     ga_24   
   CG   CD2   CE2     ga_26   
  CD1   CE1   HE1     ga_24   
  HE1   CE1    CZ     ga_24   
  CD1   CE1    CZ     ga_26   
  CD2   CE2   HE2     ga_24   
  HE2   CE2    CZ     ga_24   
  CD2   CE2    CZ     ga_26   
  CE1    CZ   CE2     ga_26   
  CE1    CZ    OH     ga_26   
  CE2    CZ    OH     ga_26   
   CZ    OH    HH     ga_11   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
   CG   CD1   CD2    CB     gi_1    
  CD2    CG   CD1   CE1     gi_1    
  CD1    CG   CD2   CE2     gi_1    
   CG   CD1   CE1    CZ     gi_1    
   CG   CD2   CE2    CZ     gi_1    
  CD1   CE1    CZ   CE2     gi_1    
  CD2   CE2    CZ   CE1     gi_1    
  CD1    CG   CE1   HD1     gi_1    
  CD2    CG   CE2   HD2     gi_1    
  CE1    CZ   CD1   HE1     gi_1    
  CE2    CZ   CD2   HE2     gi_1    
   CZ   CE1   CE2    OH     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB    CG     gd_17   
   CA    CB    CG   CD1     gd_20   
  CE1    CZ    OH    HH     gd_2    

[ VAL ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     0
   CA   CH1     0.00000     1
   CB   CH1     0.00000     1
  CG1   CH3     0.00000     1
  CG2   CH3     0.00000     1
    C     C       0.380     2
    O     O      -0.380     2
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB   CG1    gb_26   
   CB   CG2    gb_26   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB   CG1     ga_14   
   CA    CB   CG2     ga_14   
  CG1    CB   CG2     ga_14   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
   CB   CG2   CG1    CA     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB   CG1     gd_17   

[ DALA ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     0
   CA   CH1     0.00000     1
   CB   CH3     0.00000     1
    C     C       0.380     2
    O     O      -0.380     2
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     gi_1    
   CA     C     N    CB     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   

[ ABU ]
 [ atoms ]
    N     N    -0.28000     0
    H     H     0.28000     0
   CA   CH1     0.00000     1
   CB   CH2     0.00000     1
   CG   CH3     0.00000     1
    C     C       0.380     2
    O     O      -0.380     2
 [ bonds ]
    N     H    gb_2    
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB    CG    gb_26   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N     H     ga_31   
    H     N    CA     ga_17   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB    CG     ga_14   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA     H     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB    CG     gd_17   

[ MEBMT ]
 [ atoms ]
    N     N     0.00000     0
   CN   CH3     0.00000     0
   CA   CH1     0.00000     1
   CB   CH1     0.15000     2
  OG1    OA    -0.54800     2
  HG1     H     0.39800     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       0.380     5
    O     O      -0.380     5
 [ bonds ]
    N    CN    gb_20   
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB   OG1    gb_17   
  OG1   HG1    gb_1    
   CB   CG2    gb_26   
  CG2   CD1    gb_26   
  CG2   CD2    gb_26   
  CD2    CE    gb_26   
   CE    CZ    gb_9    
   CZ    CH    gb_26   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N    CN     ga_21   
   CN     N    CA     ga_29   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB   OG1     ga_12   
   CA    CB   CG2     ga_14   
  OG1    CB   CG2     ga_14   
   CB   OG1   HG1     ga_11   
   CB   CG2   CD1     ga_14   
   CB   CG2   CD2     ga_14   
  CD2   CG2   CD1     ga_14   
  CG2   CD2    CE     ga_14   
  CD2    CE    CZ     ga_26   
   CE    CZ    CH     ga_26   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA    CN     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
   CB   OG1   CG2    CA     gi_2    
  CG2   CD1   CD2    CB     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB   CG2     gd_17   
   CA    CB   OG1   HG1     gd_12   
   CA    CB   CG2   CD2     gd_17   
   CB   CG2   CD2    CE     gd_17   
  CG2   CD2    CE    CZ     gd_20   
  CD2    CE    CZ    CH     gd_4    

[ 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       0.380     3
    O     O      -0.380     3
 [ bonds ]
    N    CN    gb_20   
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB    CG    gb_26   
   CG   CD1    gb_26   
   CG   CD2    gb_26   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N    CN     ga_21   
   CN     N    CA     ga_29   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB    CG     ga_14   
   CB    CG   CD1     ga_14   
   CB    CG   CD2     ga_14   
  CD1    CG   CD2     ga_14   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA    CN     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
   CG   CD2   CD1    CB     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB    CG     gd_17   
   CA    CB    CG   CD1     gd_17   

[ 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       0.380     2
    O     O      -0.380     2
 [ bonds ]
    N    CN    gb_20   
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
   CA    CB    gb_26   
   CB   CG1    gb_26   
   CB   CG2    gb_26   
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N    CN     ga_21   
   CN     N    CA     ga_29   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
    N    CA    CB     ga_12   
    C    CA    CB     ga_12   
   CA    CB   CG1     ga_14   
   CA    CB   CG2     ga_14   
  CG1    CB   CG2     ga_14   
 [ impropers ]
;  ai    aj    ak    al   gromos type
    N    -C    CA    CN     gi_1    
    C    CA    +N     O     gi_1    
   CA     N     C    CB     gi_2    
   CB   CG2   CG1    CA     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  -CA    -C     N    CA     gd_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   
    N    CA    CB   CG1     gd_17   

[ SAR ]
 [ atoms ]
    N     N     0.00000     0
   CN   CH3     0.00000     0
   CA   CH2     0.00000     1
    C     C       0.380     2
    O     O      -0.380     2
 [ bonds ]
    N    CN    gb_20   
    N    CA    gb_20   
   CA     C    gb_26   
    C     O    gb_4    
    C    +N    gb_9    
 [ angles ]
;  ai    aj    ak   gromos type
   -C     N    CN     ga_21   
   CN     N    CA     ga_29   
   -C     N    CA     ga_30   
    N    CA     C     ga_12   
   CA     C    +N     ga_18   
   CA     C     O     ga_29   
    O     C    +N     ga_32   
 [ 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_4    
   -C     N    CA     C     gd_19   
    N    CA     C    +N     gd_20   

[ 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    -0.36000     4
   C2   CR1     0.36000     4
   N1    NR    -0.36000     5
   C6     C     0.36000     5
   N6    NT    -0.83000     6
  H61     H     0.41500     6
  H62     H     0.41500     6
   C5     C     0.00000     7
   N7    NR    -0.36000     7
   C8   CR1     0.36000     7
  C2*   CH2     0.00000     8
  C3*   CH1       0.000     8
  O3*    OA      -0.360     9
 [ bonds ]
    P   O1P    gb_23   
    P   O2P    gb_23   
    P   O5*    gb_27   
  O5*   C5*    gb_19   
  C5*   C4*    gb_25   
  C4*   O4*    gb_19   
  C4*   C3*    gb_25   
  O4*   C1*    gb_19   
  C1*    N9    gb_21   
  C1*   C2*    gb_25   
   N9    C4    gb_9    
   N9    C8    gb_9    
   C4    N3    gb_11   
   C4    C5    gb_15   
   N3    C2    gb_6    
   C2    N1    gb_6    
   N1    C6    gb_11   
   C6    N6    gb_8    
   C6    C5    gb_15   
   N6   H61    gb_2    
   N6   H62    gb_2    
   C5    N7    gb_9    
   N7    C8    gb_9    
  C2*   C3*    gb_25   
  C3*   O3*    gb_19   
  O3*    +N    gb_27   
 [ exclusions ]
;  ai    aj
  C1*    N3
  C1*    C5
  C1*    N7
   N9    C2
   N9    C6
   C4    N1
   C4    N6
   N3    C6
   N3    N7
   N3    C8
   C2    N6
   C2    C5
   N1    N7
   C6    C8
   N6    N7
 [ angles ]
;  ai    aj    ak   gromos type
   -O     P   O1P     ga_13   
   -O     P   O2P     ga_13   
   -O     P   O5*     ga_4    
  O1P     P   O2P     ga_28   
  O1P     P   O5*     ga_13   
  O2P     P   O5*     ga_13   
    P   O5*   C5*     ga_25   
  O5*   C5*   C4*     ga_8    
  C5*   C4*   O4*     ga_8    
  C5*   C4*   C3*     ga_7    
  O4*   C4*   C3*     ga_8    
  C4*   O4*   C1*     ga_9    
  O4*   C1*    N9     ga_8    
  O4*   C1*   C2*     ga_8    
   N9   C1*   C2*     ga_8    
  C1*    N9    C4     ga_36   
  C1*    N9    C8     ga_36   
   C4    N9    C8     ga_6    
   N9    C4    N3     ga_38   
   N9    C4    C5     ga_6    
   N3    C4    C5     ga_26   
   C4    N3    C2     ga_26   
   N3    C2    N1     ga_26   
   C2    N1    C6     ga_26   
   N1    C6    N6     ga_26   
   N1    C6    C5     ga_26   
   N6    C6    C5     ga_26   
   C6    N6   H61     ga_22   
   C6    N6   H62     ga_22   
  H61    N6   H62     ga_23   
   C4    C5    C6     ga_26   
   C4    C5    N7     ga_6    
   C6    C5    N7     ga_38   
   C5    N7    C8     ga_6    
   N9    C8    N7     ga_6    
  C1*   C2*   C3*     ga_7    
  C4*   C3*   C2*     ga_7    
  C4*   C3*   O3*     ga_8    
  C2*   C3*   O3*     ga_8    
  C3*   O3*    +N     ga_25   
 [ impropers ]
;  ai    aj    ak    al   gromos type
  C4*   O4*   C5*   C3*     gi_2    
  C3*   C2*   O3*   C4*     gi_2    
  C1*    N9   O4*   C2*     gi_2    
   N9    C8    C4   C1*     gi_1    
   C4    N9    C8    N7     gi_1    
   C8    N9    C4    C5     gi_1    
   N9    C8    N7    C5     gi_1    
   N9    C4    C5    N7     gi_1    
   C8    N7    C5    C4     gi_1    
   C4    N9    N3    C5     gi_1    
   C5    C6    N7    C4     gi_1    
   N3    C4    C5    C6     gi_1    
   C4    C5    C6    N1     gi_1    
   C5    C4    N3    C2     gi_1    
   C5    C6    N1    C2     gi_1    
   C4    N3    C2    N1     gi_1    
   N3    C2    N1    C6     gi_1    
   C6    C5    N1    N6     gi_1    
   N6   H61   H62    C6     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
   -C    -O     P   O5*     gd_11   
   -C    -O     P   O5*     gd_9    
   -O     P   O5*   C5*     gd_11   
   -O     P   O5*   C5*     gd_9    
    P   O5*   C5*   C4*     gd_14   
  O5*   C5*   C4*   C3*     gd_17   
  O5*   C5*   C4*   C3*     gd_7    
  O5*   C5*   C4*   O4*     gd_8    
  C5*   C4*   C3*   C2*     gd_17   
  C5*   C4*   C3*   O3*     gd_7    
  O4*   C4*   C3*   C2*     gd_7    
  O4*   C4*   C3*   O3*     gd_8    
  C4*   C3*   C2*   C1*     gd_17   
  O3*   C3*   C2*   C1*     gd_7    
  C3*   C2*   C1*   O4*     gd_17   
  C3*   C2*   C1*   O4*     gd_7    
  C3*   C4*   O4*   C1*     gd_14   
  C4*   O4*   C1*   C2*     gd_14   
  O4*   C1*    N9    C4     gd_6    
   C5    C6    N6   H61     gd_4    
  C4*   C3*   O3*    +N     gd_14   

[ 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    -0.36000     4
   C2     C     0.36000     4
   N2    NT    -0.83000     5
  H21     H     0.41500     5
  H22     H     0.41500     5
   N1    NR    -0.28000     6
   H1     H     0.28000     6
   C6     C     0.38000     7
   O6     O    -0.38000     7
   C5     C     0.00000     8
   N7    NR    -0.36000     8
   C8   CR1     0.36000     8
  C2*   CH2     0.00000     9
  C3*   CH1       0.000     9
  O3*    OA      -0.360    10
 [ bonds ]
    P   O1P    gb_23   
    P   O2P    gb_23   
    P   O5*    gb_27   
  O5*   C5*    gb_19   
  C5*   C4*    gb_25   
  C4*   O4*    gb_19   
  C4*   C3*    gb_25   
  O4*   C1*    gb_19   
  C1*    N9    gb_21   
  C1*   C2*    gb_25   
   N9    C4    gb_9    
   N9    C8    gb_9    
   C4    N3    gb_11   
   C4    C5    gb_15   
   N3    C2    gb_11   
   C2    N2    gb_8    
   C2    N1    gb_16   
   N2   H21    gb_2    
   N2   H22    gb_2    
   N1    H1    gb_2    
   N1    C6    gb_16   
   C6    O6    gb_4    
   C6    C5    gb_15   
   C5    N7    gb_9    
   N7    C8    gb_9    
  C2*   C3*    gb_25   
  C3*   O3*    gb_19   
  O3*    +N    gb_27   
 [ exclusions ]
;  ai    aj
  C1*    N3
  C1*    C5
  C1*    N7
   N9    C2
   N9    C6
   C4    N2
   C4    N1
   C4    O6
   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
 [ angles ]
;  ai    aj    ak   gromos type
   -O     P   O1P     ga_13   
   -O     P   O2P     ga_13   
   -O     P   O5*     ga_4    
  O1P     P   O2P     ga_28   
  O1P     P   O5*     ga_13   
  O2P     P   O5*     ga_13   
    P   O5*   C5*     ga_25   
  O5*   C5*   C4*     ga_8    
  C5*   C4*   O4*     ga_8    
  C5*   C4*   C3*     ga_7    
  O4*   C4*   C3*     ga_8    
  C4*   O4*   C1*     ga_9    
  O4*   C1*    N9     ga_8    
  O4*   C1*   C2*     ga_8    
   N9   C1*   C2*     ga_8    
  C1*    N9    C4     ga_36   
  C1*    N9    C8     ga_36   
   C4    N9    C8     ga_6    
   N9    C4    N3     ga_38   
   N9    C4    C5     ga_6    
   N3    C4    C5     ga_26   
   C4    N3    C2     ga_26   
   N3    C2    N2     ga_26   
   N3    C2    N1     ga_26   
   N2    C2    N1     ga_26   
   C2    N2   H21     ga_22   
   C2    N2   H22     ga_22   
  H21    N2   H22     ga_23   
   C2    N1    H1     ga_24   
   C2    N1    C6     ga_26   
   H1    N1    C6     ga_24   
   N1    C6    O6     ga_26   
   N1    C6    C5     ga_26   
   O6    C6    C5     ga_26   
   C4    C5    C6     ga_26   
   C4    C5    N7     ga_6    
   C6    C5    N7     ga_38   
   C5    N7    C8     ga_6    
   N9    C8    N7     ga_6    
  C1*   C2*   C3*     ga_7    
  C4*   C3*   C2*     ga_7    
  C4*   C3*   O3*     ga_8    
  C2*   C3*   O3*     ga_8    
  C3*   O3*    +N     ga_25   
 [ impropers ]
;  ai    aj    ak    al   gromos type
  C4*   O4*   C5*   C3*     gi_2    
  C3*   C2*   O3*   C4*     gi_2    
  C1*    N9   O4*   C2*     gi_2    
   N9    C8    C4   C1*     gi_1    
   C4    N9    C8    N7     gi_1    
   C8    N9    C4    C5     gi_1    
   N9    C8    N7    C5     gi_1    
   N9    C4    C5    N7     gi_1    
   C8    N7    C5    C4     gi_1    
   C4    N9    N3    C5     gi_1    
   C5    C6    N7    C4     gi_1    
   N3    C4    C5    C6     gi_1    
   C4    C5    C6    N1     gi_1    
   C5    C4    N3    C2     gi_1    
   C5    C6    N1    C2     gi_1    
   C4    N3    C2    N1     gi_1    
   N3    C2    N1    C6     gi_1    
   C2    N1    N3    N2     gi_1    
   N2   H21   H22    C2     gi_1    
   N1    C6    C2    H1     gi_1    
   C6    C5    N1    O6     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
   -C    -O     P   O5*     gd_11   
   -C    -O     P   O5*     gd_9    
   -O     P   O5*   C5*     gd_11   
   -O     P   O5*   C5*     gd_9    
    P   O5*   C5*   C4*     gd_14   
  O5*   C5*   C4*   C3*     gd_17   
  O5*   C5*   C4*   C3*     gd_7    
  O5*   C5*   C4*   O4*     gd_8    
  C5*   C4*   C3*   C2*     gd_17   
  C5*   C4*   C3*   O3*     gd_7    
  O4*   C4*   C3*   C2*     gd_7    
  O4*   C4*   C3*   O3*     gd_8    
  C4*   C3*   C2*   C1*     gd_17   
  O3*   C3*   C2*   C1*     gd_7    
  C3*   C2*   C1*   O4*     gd_17   
  C3*   C2*   C1*   O4*     gd_7    
  C3*   C4*   O4*   C1*     gd_14   
  C4*   O4*   C1*   C2*     gd_14   
  O4*   C1*    N9    C4     gd_6    
   N3    C2    N2   H21     gd_4    
  C4*   C3*   O3*    +N     gd_14   

[ 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   CR1     0.20000     3
   C2     C     0.38000     4
   O2     O    -0.38000     4
   N3    NR    -0.36000     5
   C4     C     0.36000     5
   N4    NT    -0.83000     6
  H41     H     0.41500     6
  H42     H     0.41500     6
   C5   CR1     0.00000     7
  C2*   CH2     0.00000     8
  C3*   CH1       0.000     8
  O3*    OA      -0.360     9
 [ bonds ]
    P   O1P    gb_23   
    P   O2P    gb_23   
    P   O5*    gb_27   
  O5*   C5*    gb_19   
  C5*   C4*    gb_25   
  C4*   O4*    gb_19   
  C4*   C3*    gb_25   
  O4*   C1*    gb_19   
  C1*    N1    gb_22   
  C1*   C2*    gb_25   
   N1    C6    gb_16   
   N1    C2    gb_16   
   C6    C5    gb_15   
   C2    O2    gb_4    
   C2    N3    gb_11   
   N3    C4    gb_11   
   C4    N4    gb_8    
   C4    C5    gb_15   
   N4   H41    gb_2    
   N4   H42    gb_2    
  C2*   C3*    gb_25   
  C3*   O3*    gb_19   
  O3*    +N    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
   -O     P   O1P     ga_13   
   -O     P   O2P     ga_13   
   -O     P   O5*     ga_4    
  O1P     P   O2P     ga_28   
  O1P     P   O5*     ga_13   
  O2P     P   O5*     ga_13   
    P   O5*   C5*     ga_25   
  O5*   C5*   C4*     ga_8    
  C5*   C4*   O4*     ga_8    
  C5*   C4*   C3*     ga_7    
  O4*   C4*   C3*     ga_8    
  C4*   O4*   C1*     ga_9    
  O4*   C1*    N1     ga_8    
  O4*   C1*   C2*     ga_8    
   N1   C1*   C2*     ga_7    
  C1*    N1    C6     ga_26   
  C1*    N1    C2     ga_26   
   C6    N1    C2     ga_26   
   N1    C6    C5     ga_26   
   N1    C2    O2     ga_26   
   N1    C2    N3     ga_26   
   O2    C2    N3     ga_26   
   C2    N3    C4     ga_26   
   N3    C4    N4     ga_26   
   N3    C4    C5     ga_26   
   N4    C4    C5     ga_26   
   C4    N4   H41     ga_22   
   C4    N4   H42     ga_22   
  H41    N4   H42     ga_23   
   C6    C5    C4     ga_26   
  C1*   C2*   C3*     ga_7    
  C4*   C3*   C2*     ga_7    
  C4*   C3*   O3*     ga_8    
  C2*   C3*   O3*     ga_8    
  C3*   O3*    +N     ga_25   
 [ impropers ]
;  ai    aj    ak    al   gromos type
  C4*   O4*   C5*   C3*     gi_2    
  C3*   C2*   O3*   C4*     gi_2    
  C1*    N1   O4*   C2*     gi_2    
   N1    C6    C2   C1*     gi_1    
   C2    N1    C6    C5     gi_1    
   C6    N1    C2    N3     gi_1    
   N1    C6    C5    C4     gi_1    
   N1    C2    N3    C4     gi_1    
   C6    C5    C4    N3     gi_1    
   C2    N3    C4    C5     gi_1    
   C2    N3    N1    O2     gi_1    
   C4    C5    N3    N4     gi_1    
   N4   H41   H42    C4     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
   -C    -O     P   O5*     gd_11   
   -C    -O     P   O5*     gd_9    
   -O     P   O5*   C5*     gd_11   
   -O     P   O5*   C5*     gd_9    
    P   O5*   C5*   C4*     gd_14   
  O5*   C5*   C4*   C3*     gd_17   
  O5*   C5*   C4*   C3*     gd_7    
  O5*   C5*   C4*   O4*     gd_8    
  C5*   C4*   C3*   C2*     gd_17   
  C5*   C4*   C3*   O3*     gd_7    
  O4*   C4*   C3*   C2*     gd_7    
  O4*   C4*   C3*   O3*     gd_8    
  C4*   C3*   C2*   C1*     gd_17   
  O3*   C3*   C2*   C1*     gd_7    
  C3*   C2*   C1*   O4*     gd_17   
  C3*   C2*   C1*   O4*     gd_7    
  C3*   C4*   O4*   C1*     gd_14   
  C4*   O4*   C1*   C2*     gd_14   
  O4*   C1*    N1    C2     gd_6    
   N3    C4    N4   H41     gd_4    
  C4*   C3*   O3*    +N     gd_14   

[ 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   CR1     0.20000     3
   C2     C     0.38000     4
   O2     O    -0.38000     4
   N3    NR    -0.28000     5
   H3     H     0.28000     5
   C4     C     0.38000     6
   O4     O    -0.38000     6
   C5     C     0.00000     7
  C5M   CH3     0.00000     7
  C2*   CH2     0.00000     8
  C3*   CH1       0.000     8
  O3*    OA      -0.360     9
 [ bonds ]
    P   O1P    gb_23   
    P   O2P    gb_23   
    P   O5*    gb_27   
  O5*   C5*    gb_19   
  C5*   C4*    gb_25   
  C4*   O4*    gb_19   
  C4*   C3*    gb_25   
  O4*   C1*    gb_19   
  C1*    N1    gb_22   
  C1*   C2*    gb_25   
   N1    C6    gb_16   
   N1    C2    gb_16   
   C6    C5    gb_15   
   C2    O2    gb_4    
   C2    N3    gb_16   
   N3    H3    gb_2    
   N3    C4    gb_16   
   C4    O4    gb_4    
   C4    C5    gb_15   
   C5   C5M    gb_26   
  C2*   C3*    gb_25   
  C3*   O3*    gb_19   
  O3*    +N    gb_27   
 [ exclusions ]
;  ai    aj
  C1*    O2
  C1*    N3
  C1*    C5
   N1    H3
   N1    C4
   N1   C5M
   C6    O2
   C6    N3
   C6    O4
   C2    O4
   C2    C5
   O2    H3
   O2    C4
   N3   C5M
   H3    O4
   H3    C5
   O4   C5M
 [ angles ]
;  ai    aj    ak   gromos type
   -O     P   O1P     ga_13   
   -O     P   O2P     ga_13   
   -O     P   O5*     ga_4    
  O1P     P   O2P     ga_28   
  O1P     P   O5*     ga_13   
  O2P     P   O5*     ga_13   
    P   O5*   C5*     ga_25   
  O5*   C5*   C4*     ga_8    
  C5*   C4*   O4*     ga_8    
  C5*   C4*   C3*     ga_7    
  O4*   C4*   C3*     ga_8    
  C4*   O4*   C1*     ga_9    
  O4*   C1*    N1     ga_8    
  O4*   C1*   C2*     ga_8    
   N1   C1*   C2*     ga_7    
  C1*    N1    C6     ga_26   
  C1*    N1    C2     ga_26   
   C6    N1    C2     ga_26   
   N1    C6    C5     ga_26   
   N1    C2    O2     ga_26   
   N1    C2    N3     ga_26   
   O2    C2    N3     ga_26   
   C2    N3    H3     ga_24   
   C2    N3    C4     ga_26   
   H3    N3    C4     ga_24   
   N3    C4    O4     ga_26   
   N3    C4    C5     ga_26   
   O4    C4    C5     ga_26   
   C6    C5    C4     ga_26   
   C6    C5   C5M     ga_26   
   C4    C5   C5M     ga_26   
  C1*   C2*   C3*     ga_7    
  C4*   C3*   C2*     ga_7    
  C4*   C3*   O3*     ga_8    
  C2*   C3*   O3*     ga_8    
  C3*   O3*    +N     ga_25   
 [ impropers ]
;  ai    aj    ak    al   gromos type
  C4*   O4*   C5*   C3*     gi_2    
  C3*   C2*   O3*   C4*     gi_2    
  C1*    N1   O4*   C2*     gi_2    
   N1    C6    C2   C1*     gi_1    
   C2    N1    C6    C5     gi_1    
   C6    N1    C2    N3     gi_1    
   N1    C6    C5    C4     gi_1    
   N1    C2    N3    C4     gi_1    
   C6    C5    C4    N3     gi_1    
   C2    N3    C4    C5     gi_1    
   C2    N3    N1    O2     gi_1    
   N3    C4    C2    H3     gi_1    
   C4    C5    N3    O4     gi_1    
   C5    C6    C4   C5M     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
   -C    -O     P   O5*     gd_11   
   -C    -O     P   O5*     gd_9    
   -O     P   O5*   C5*     gd_11   
   -O     P   O5*   C5*     gd_9    
    P   O5*   C5*   C4*     gd_14   
  O5*   C5*   C4*   C3*     gd_17   
  O5*   C5*   C4*   C3*     gd_7    
  O5*   C5*   C4*   O4*     gd_8    
  C5*   C4*   C3*   C2*     gd_17   
  C5*   C4*   C3*   O3*     gd_7    
  O4*   C4*   C3*   C2*     gd_7    
  O4*   C4*   C3*   O3*     gd_8    
  C4*   C3*   C2*   C1*     gd_17   
  O3*   C3*   C2*   C1*     gd_7    
  C3*   C2*   C1*   O4*     gd_17   
  C3*   C2*   C1*   O4*     gd_7    
  C3*   C4*   O4*   C1*     gd_14   
  C4*   O4*   C1*   C2*     gd_14   
  O4*   C1*    N1    C2     gd_6    
  C4*   C3*   O3*    +N     gd_14   

[ 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    -0.36000     4
   C2   CR1     0.36000     4
   N1    NR    -0.36000     5
   C6     C     0.36000     5
   N6    NT    -0.83000     6
  H61     H     0.41500     6
  H62     H     0.41500     6
   C5     C     0.00000     7
   N7    NR    -0.36000     7
   C8   CR1     0.36000     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_23   
    P   O2P    gb_23   
    P   O5*    gb_27   
  O5*   C5*    gb_19   
  C5*   C4*    gb_25   
  C4*   O4*    gb_19   
  C4*   C3*    gb_25   
  O4*   C1*    gb_19   
  C1*    N9    gb_21   
  C1*   C2*    gb_25   
   N9    C4    gb_9    
   N9    C8    gb_9    
   C4    N3    gb_11   
   C4    C5    gb_15   
   N3    C2    gb_6    
   C2    N1    gb_6    
   N1    C6    gb_11   
   C6    N6    gb_8    
   C6    C5    gb_15   
   N6   H61    gb_2    
   N6   H62    gb_2    
   C5    N7    gb_9    
   N7    C8    gb_9    
  C2*   O2*    gb_19   
  O2*   H2*    gb_1    
  C2*   C3*    gb_25   
  C3*   O3*    gb_19   
  O3*    +N    gb_27   
 [ exclusions ]
;  ai    aj
  C1*    N3
  C1*    C5
  C1*    N7
   N9    C2
   N9    C6
   C4    N1
   C4    N6
   N3    C6
   N3    N7
   N3    C8
   C2    N6
   C2    C5
   N1    N7
   C6    C8
   N6    N7
 [ angles ]
;  ai    aj    ak   gromos type
   -O     P   O1P     ga_13   
   -O     P   O2P     ga_13   
   -O     P   O5*     ga_4    
  O1P     P   O2P     ga_28   
  O1P     P   O5*     ga_13   
  O2P     P   O5*     ga_13   
    P   O5*   C5*     ga_25   
  O5*   C5*   C4*     ga_8    
  C5*   C4*   O4*     ga_8    
  C5*   C4*   C3*     ga_7    
  O4*   C4*   C3*     ga_8    
  C4*   O4*   C1*     ga_9    
  O4*   C1*    N9     ga_8    
  O4*   C1*   C2*     ga_8    
   N9   C1*   C2*     ga_8    
  C1*    N9    C4     ga_36   
  C1*    N9    C8     ga_36   
   C4    N9    C8     ga_6    
   N9    C4    N3     ga_38   
   N9    C4    C5     ga_6    
   N3    C4    C5     ga_26   
   C4    N3    C2     ga_26   
   N3    C2    N1     ga_26   
   C2    N1    C6     ga_26   
   N1    C6    N6     ga_26   
   N1    C6    C5     ga_26   
   N6    C6    C5     ga_26   
   C6    N6   H61     ga_22   
   C6    N6   H62     ga_22   
  H61    N6   H62     ga_23   
   C4    C5    C6     ga_26   
   C4    C5    N7     ga_6    
   C6    C5    N7     ga_38   
   C5    N7    C8     ga_6    
   N9    C8    N7     ga_6    
  C1*   C2*   C3*     ga_7    
  C1*   C2*   O2*     ga_8    
  O2*   C2*   C3*     ga_8    
  C2*   O2*   H2*     ga_11   
  C4*   C3*   C2*     ga_7    
  C4*   C3*   O3*     ga_8    
  C2*   C3*   O3*     ga_8    
  C3*   O3*    +N     ga_25   
 [ impropers ]
;  ai    aj    ak    al   gromos type
  C4*   O4*   C5*   C3*     gi_2    
  C3*   C2*   O3*   C4*     gi_2    
  C1*    N9   O4*   C2*     gi_2    
   N9    C8    C4   C1*     gi_1    
   C4    N9    C8    N7     gi_1    
   C8    N9    C4    C5     gi_1    
   N9    C8    N7    C5     gi_1    
   N9    C4    C5    N7     gi_1    
   C8    N7    C5    C4     gi_1    
   C4    N9    N3    C5     gi_1    
   C5    C6    N7    C4     gi_1    
   N3    C4    C5    C6     gi_1    
   C4    C5    C6    N1     gi_1    
   C5    C4    N3    C2     gi_1    
   C5    C6    N1    C2     gi_1    
   C4    N3    C2    N1     gi_1    
   N3    C2    N1    C6     gi_1    
   C6    C5    N1    N6     gi_1    
   N6   H61   H62    C6     gi_1    
  C2*   O2*   C3*   C1*     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
   -C    -O     P   O5*     gd_11   
   -C    -O     P   O5*     gd_9    
   -O     P   O5*   C5*     gd_11   
   -O     P   O5*   C5*     gd_9    
    P   O5*   C5*   C4*     gd_14   
  O5*   C5*   C4*   C3*     gd_17   
  O5*   C5*   C4*   C3*     gd_7    
  O5*   C5*   C4*   O4*     gd_8    
  C5*   C4*   C3*   C2*     gd_17   
  C5*   C4*   C3*   O3*     gd_7    
  O4*   C4*   C3*   C2*     gd_7    
  O4*   C4*   C3*   O3*     gd_8    
  C4*   C3*   C2*   C1*     gd_17   
  O3*   C3*   C2*   C1*     gd_7    
  C4*   C3*   C2*   O2*     gd_7    
  O3*   C3*   C2*   O2*     gd_8    
  C3*   C2*   C1*   O4*     gd_17   
  C3*   C2*   C1*   O4*     gd_7    
  O2*   C2*   C1*    N9     gd_7    
  O2*   C2*   C1*   O4*     gd_8    
  C1*   C2*   O2*   H2*     gd_12   
  C3*   C4*   O4*   C1*     gd_14   
  C4*   O4*   C1*   C2*     gd_14   
  O4*   C1*    N9    C4     gd_6    
   C5    C6    N6   H61     gd_4    
  C4*   C3*   O3*    +N     gd_14   

[ 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    -0.36000     4
   C2     C     0.36000     4
   N2    NT    -0.83000     5
  H21     H     0.41500     5
  H22     H     0.41500     5
   N1    NR    -0.28000     6
   H1     H     0.28000     6
   C6     C     0.38000     7
   O6     O    -0.38000     7
   C5     C     0.00000     8
   N7    NR    -0.36000     8
   C8   CR1     0.36000     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_23   
    P   O2P    gb_23   
    P   O5*    gb_27   
  O5*   C5*    gb_19   
  C5*   C4*    gb_25   
  C4*   O4*    gb_19   
  C4*   C3*    gb_25   
  O4*   C1*    gb_19   
  C1*    N9    gb_21   
  C1*   C2*    gb_25   
   N9    C4    gb_9    
   N9    C8    gb_9    
   C4    N3    gb_11   
   C4    C5    gb_15   
   N3    C2    gb_11   
   C2    N2    gb_8    
   C2    N1    gb_16   
   N2   H21    gb_2    
   N2   H22    gb_2    
   N1    H1    gb_2    
   N1    C6    gb_16   
   C6    O6    gb_4    
   C6    C5    gb_15   
   C5    N7    gb_9    
   N7    C8    gb_9    
  C2*   O2*    gb_19   
  O2*   H2*    gb_1    
  C2*   C3*    gb_25   
  C3*   O3*    gb_19   
  O3*    +N    gb_27   
 [ exclusions ]
;  ai    aj
  C1*    N3
  C1*    C5
  C1*    N7
   N9    C2
   N9    C6
   C4    N2
   C4    N1
   C4    O6
   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
 [ angles ]
;  ai    aj    ak   gromos type
   -O     P   O1P     ga_13   
   -O     P   O2P     ga_13   
   -O     P   O5*     ga_4    
  O1P     P   O2P     ga_28   
  O1P     P   O5*     ga_13   
  O2P     P   O5*     ga_13   
    P   O5*   C5*     ga_25   
  O5*   C5*   C4*     ga_8    
  C5*   C4*   O4*     ga_8    
  C5*   C4*   C3*     ga_7    
  O4*   C4*   C3*     ga_8    
  C4*   O4*   C1*     ga_9    
  O4*   C1*    N9     ga_8    
  O4*   C1*   C2*     ga_8    
   N9   C1*   C2*     ga_8    
  C1*    N9    C4     ga_36   
  C1*    N9    C8     ga_36   
   C4    N9    C8     ga_6    
   N9    C4    N3     ga_38   
   N9    C4    C5     ga_6    
   N3    C4    C5     ga_26   
   C4    N3    C2     ga_26   
   N3    C2    N2     ga_26   
   N3    C2    N1     ga_26   
   N2    C2    N1     ga_26   
   C2    N2   H21     ga_22   
   C2    N2   H22     ga_22   
  H21    N2   H22     ga_23   
   C2    N1    H1     ga_24   
   C2    N1    C6     ga_26   
   H1    N1    C6     ga_24   
   N1    C6    O6     ga_26   
   N1    C6    C5     ga_26   
   O6    C6    C5     ga_26   
   C4    C5    C6     ga_26   
   C4    C5    N7     ga_6    
   C6    C5    N7     ga_38   
   C5    N7    C8     ga_6    
   N9    C8    N7     ga_6    
  C1*   C2*   C3*     ga_7    
  C1*   C2*   O2*     ga_8    
  O2*   C2*   C3*     ga_8    
  C2*   O2*   H2*     ga_11   
  C4*   C3*   C2*     ga_7    
  C4*   C3*   O3*     ga_8    
  C2*   C3*   O3*     ga_8    
  C3*   O3*    +N     ga_25   
 [ impropers ]
;  ai    aj    ak    al   gromos type
  C4*   O4*   C5*   C3*     gi_2    
  C3*   C2*   O3*   C4*     gi_2    
  C1*    N9   O4*   C2*     gi_2    
   N9    C8    C4   C1*     gi_1    
   C4    N9    C8    N7     gi_1    
   C8    N9    C4    C5     gi_1    
   N9    C8    N7    C5     gi_1    
   N9    C4    C5    N7     gi_1    
   C8    N7    C5    C4     gi_1    
   C4    N9    N3    C5     gi_1    
   C5    C6    N7    C4     gi_1    
   N3    C4    C5    C6     gi_1    
   C4    C5    C6    N1     gi_1    
   C5    C4    N3    C2     gi_1    
   C5    C6    N1    C2     gi_1    
   C4    N3    C2    N1     gi_1    
   N3    C2    N1    C6     gi_1    
   C2    N1    N3    N2     gi_1    
   N2   H21   H22    C2     gi_1    
   N1    C6    C2    H1     gi_1    
   C6    C5    N1    O6     gi_1    
  C2*   O2*   C3*   C1*     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
   -C    -O     P   O5*     gd_11   
   -C    -O     P   O5*     gd_9    
   -O     P   O5*   C5*     gd_11   
   -O     P   O5*   C5*     gd_9    
    P   O5*   C5*   C4*     gd_14   
  O5*   C5*   C4*   C3*     gd_17   
  O5*   C5*   C4*   C3*     gd_7    
  O5*   C5*   C4*   O4*     gd_8    
  C5*   C4*   C3*   C2*     gd_17   
  C5*   C4*   C3*   O3*     gd_7    
  O4*   C4*   C3*   C2*     gd_7    
  O4*   C4*   C3*   O3*     gd_8    
  C4*   C3*   C2*   C1*     gd_17   
  O3*   C3*   C2*   C1*     gd_7    
  C4*   C3*   C2*   O2*     gd_7    
  O3*   C3*   C2*   O2*     gd_8    
  C3*   C2*   C1*   O4*     gd_17   
  C3*   C2*   C1*   O4*     gd_7    
  O2*   C2*   C1*    N9     gd_7    
  O2*   C2*   C1*   O4*     gd_8    
  C1*   C2*   O2*   H2*     gd_12   
  C3*   C4*   O4*   C1*     gd_14   
  C4*   O4*   C1*   C2*     gd_14   
  O4*   C1*    N9    C4     gd_6    
   N3    C2    N2   H21     gd_4    
  C4*   C3*   O3*    +N     gd_14   

[ 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   CR1     0.20000     3
   C2     C     0.38000     4
   O2     O    -0.38000     4
   N3    NR    -0.36000     5
   C4     C     0.36000     5
   N4    NT    -0.83000     6
  H41     H     0.41500     6
  H42     H     0.41500     6
   C5   CR1     0.00000     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_23   
    P   O2P    gb_23   
    P   O5*    gb_27   
  O5*   C5*    gb_19   
  C5*   C4*    gb_25   
  C4*   O4*    gb_19   
  C4*   C3*    gb_25   
  O4*   C1*    gb_19   
  C1*    N1    gb_22   
  C1*   C2*    gb_25   
   N1    C6    gb_16   
   N1    C2    gb_16   
   C6    C5    gb_15   
   C2    O2    gb_4    
   C2    N3    gb_11   
   N3    C4    gb_11   
   C4    N4    gb_8    
   C4    C5    gb_15   
   N4   H41    gb_2    
   N4   H42    gb_2    
  C2*   O2*    gb_19   
  O2*   H2*    gb_1    
  C2*   C3*    gb_25   
  C3*   O3*    gb_19   
  O3*    +N    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
   -O     P   O1P     ga_13   
   -O     P   O2P     ga_13   
   -O     P   O5*     ga_4    
  O1P     P   O2P     ga_28   
  O1P     P   O5*     ga_13   
  O2P     P   O5*     ga_13   
    P   O5*   C5*     ga_25   
  O5*   C5*   C4*     ga_8    
  C5*   C4*   O4*     ga_8    
  C5*   C4*   C3*     ga_7    
  O4*   C4*   C3*     ga_8    
  C4*   O4*   C1*     ga_9    
  O4*   C1*    N1     ga_8    
  O4*   C1*   C2*     ga_8    
   N1   C1*   C2*     ga_7    
  C1*    N1    C6     ga_26   
  C1*    N1    C2     ga_26   
   C6    N1    C2     ga_26   
   N1    C6    C5     ga_26   
   N1    C2    O2     ga_26   
   N1    C2    N3     ga_26   
   O2    C2    N3     ga_26   
   C2    N3    C4     ga_26   
   N3    C4    N4     ga_26   
   N3    C4    C5     ga_26   
   N4    C4    C5     ga_26   
   C4    N4   H41     ga_22   
   C4    N4   H42     ga_22   
  H41    N4   H42     ga_23   
   C6    C5    C4     ga_26   
  C1*   C2*   C3*     ga_7    
  C1*   C2*   O2*     ga_8    
  O2*   C2*   C3*     ga_8    
  C2*   O2*   H2*     ga_11   
  C4*   C3*   C2*     ga_7    
  C4*   C3*   O3*     ga_8    
  C2*   C3*   O3*     ga_8    
  C3*   O3*    +N     ga_25   
 [ impropers ]
;  ai    aj    ak    al   gromos type
  C4*   O4*   C5*   C3*     gi_2    
  C3*   C2*   O3*   C4*     gi_2    
  C1*    N1   O4*   C2*     gi_2    
   N1    C6    C2   C1*     gi_1    
   C2    N1    C6    C5     gi_1    
   C6    N1    C2    N3     gi_1    
   N1    C6    C5    C4     gi_1    
   N1    C2    N3    C4     gi_1    
   C6    C5    C4    N3     gi_1    
   C2    N3    C4    C5     gi_1    
   C2    N3    N1    O2     gi_1    
   C4    C5    N3    N4     gi_1    
   N4   H41   H42    C4     gi_1    
  C2*   O2*   C3*   C1*     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
   -C    -O     P   O5*     gd_11   
   -C    -O     P   O5*     gd_9    
   -O     P   O5*   C5*     gd_11   
   -O     P   O5*   C5*     gd_9    
    P   O5*   C5*   C4*     gd_14   
  O5*   C5*   C4*   C3*     gd_17   
  O5*   C5*   C4*   C3*     gd_7    
  O5*   C5*   C4*   O4*     gd_8    
  C5*   C4*   C3*   C2*     gd_17   
  C5*   C4*   C3*   O3*     gd_7    
  O4*   C4*   C3*   C2*     gd_7    
  O4*   C4*   C3*   O3*     gd_8    
  C4*   C3*   C2*   C1*     gd_17   
  O3*   C3*   C2*   C1*     gd_7    
  C4*   C3*   C2*   O2*     gd_7    
  O3*   C3*   C2*   O2*     gd_8    
  C3*   C2*   C1*   O4*     gd_17   
  C3*   C2*   C1*   O4*     gd_7    
  O2*   C2*   C1*    N1     gd_7    
  O2*   C2*   C1*   O4*     gd_8    
  C1*   C2*   O2*   H2*     gd_12   
  C3*   C4*   O4*   C1*     gd_14   
  C4*   O4*   C1*   C2*     gd_14   
  O4*   C1*    N1    C2     gd_6    
   N3    C4    N4   H41     gd_4    
  C4*   C3*   O3*    +N     gd_14   

[ 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   CR1     0.20000     3
   C2     C     0.38000     4
   O2     O    -0.38000     4
   N3    NR    -0.28000     5
   H3     H     0.28000     5
   C4     C     0.38000     6
   O4     O    -0.38000     6
   C5   CR1     0.00000     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_23   
    P   O2P    gb_23   
    P   O5*    gb_27   
  O5*   C5*    gb_19   
  C5*   C4*    gb_25   
  C4*   O4*    gb_19   
  C4*   C3*    gb_25   
  O4*   C1*    gb_19   
  C1*    N1    gb_22   
  C1*   C2*    gb_25   
   N1    C6    gb_16   
   N1    C2    gb_16   
   C6    C5    gb_15   
   C2    O2    gb_4    
   C2    N3    gb_16   
   N3    H3    gb_2    
   N3    C4    gb_16   
   C4    O4    gb_4    
   C4    C5    gb_15   
  C2*   O2*    gb_19   
  O2*   H2*    gb_1    
  C2*   C3*    gb_25   
  C3*   O3*    gb_19   
  O3*    +N    gb_27   
 [ exclusions ]
;  ai    aj
  C1*    O2
  C1*    N3
  C1*    C5
   N1    H3
   N1    C4
   C6    O2
   C6    N3
   C6    O4
   C2    O4
   C2    C5
   O2    H3
   O2    C4
   H3    O4
   H3    C5
 [ angles ]
;  ai    aj    ak   gromos type
   -O     P   O1P     ga_13   
   -O     P   O2P     ga_13   
   -O     P   O5*     ga_4    
  O1P     P   O2P     ga_28   
  O1P     P   O5*     ga_13   
  O2P     P   O5*     ga_13   
    P   O5*   C5*     ga_25   
  O5*   C5*   C4*     ga_8    
  C5*   C4*   O4*     ga_8    
  C5*   C4*   C3*     ga_7    
  O4*   C4*   C3*     ga_8    
  C4*   O4*   C1*     ga_9    
  O4*   C1*    N1     ga_8    
  O4*   C1*   C2*     ga_8    
   N1   C1*   C2*     ga_7    
  C1*    N1    C6     ga_26   
  C1*    N1    C2     ga_26   
   C6    N1    C2     ga_26   
   N1    C6    C5     ga_26   
   N1    C2    O2     ga_26   
   N1    C2    N3     ga_26   
   O2    C2    N3     ga_26   
   C2    N3    H3     ga_24   
   C2    N3    C4     ga_26   
   H3    N3    C4     ga_24   
   N3    C4    O4     ga_26   
   N3    C4    C5     ga_26   
   O4    C4    C5     ga_26   
   C6    C5    C4     ga_26   
  C1*   C2*   C3*     ga_7    
  C1*   C2*   O2*     ga_8    
  O2*   C2*   C3*     ga_8    
  C2*   O2*   H2*     ga_11   
  C4*   C3*   C2*     ga_7    
  C4*   C3*   O3*     ga_8    
  C2*   C3*   O3*     ga_8    
  C3*   O3*    +N     ga_25   
 [ impropers ]
;  ai    aj    ak    al   gromos type
  C4*   O4*   C5*   C3*     gi_2    
  C3*   C2*   O3*   C4*     gi_2    
  C1*    N1   O4*   C2*     gi_2    
   N1    C6    C2   C1*     gi_1    
   C2    N1    C6    C5     gi_1    
   C6    N1    C2    N3     gi_1    
   N1    C6    C5    C4     gi_1    
   N1    C2    N3    C4     gi_1    
   C6    C5    C4    N3     gi_1    
   C2    N3    C4    C5     gi_1    
   C2    N3    N1    O2     gi_1    
   N3    C4    C2    H3     gi_1    
   C4    C5    N3    O4     gi_1    
  C2*   O2*   C3*   C1*     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
   -C    -O     P   O5*     gd_11   
   -C    -O     P   O5*     gd_9    
   -O     P   O5*   C5*     gd_11   
   -O     P   O5*   C5*     gd_9    
    P   O5*   C5*   C4*     gd_14   
  O5*   C5*   C4*   C3*     gd_17   
  O5*   C5*   C4*   C3*     gd_7    
  O5*   C5*   C4*   O4*     gd_8    
  C5*   C4*   C3*   C2*     gd_17   
  C5*   C4*   C3*   O3*     gd_7    
  O4*   C4*   C3*   C2*     gd_7    
  O4*   C4*   C3*   O3*     gd_8    
  C4*   C3*   C2*   C1*     gd_17   
  O3*   C3*   C2*   C1*     gd_7    
  C4*   C3*   C2*   O2*     gd_7    
  O3*   C3*   C2*   O2*     gd_8    
  C3*   C2*   C1*   O4*     gd_17   
  C3*   C2*   C1*   O4*     gd_7    
  O2*   C2*   C1*    N1     gd_7    
  O2*   C2*   C1*   O4*     gd_8    
  C1*   C2*   O2*   H2*     gd_12   
  C3*   C4*   O4*   C1*     gd_14   
  C4*   O4*   C1*   C2*     gd_14   
  O4*   C1*    N1    C2     gd_6    
  C4*   C3*   O3*    +N     gd_14   

[ 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_16   
 FC9A  FC5A    gb_15   
 FC9A   FC9    gb_15   
 FN10 FC10A    gb_16   
 FN10   FCA    gb_22   
FC10A   FN1    gb_11   
FC10A  FC4A    gb_15   
  FN1   FC2    gb_11   
  FC2   FO2    gb_4    
  FC2   FN3    gb_16   
  FN3   FH3    gb_2    
  FN3   FC4    gb_16   
  FC4   FO4    gb_4    
  FC4  FC4A    gb_15   
 FC4A   FN5    gb_11   
  FN5  FC5A    gb_11   
 FC5A   FC6    gb_15   
  FC6   FC7    gb_15   
  FC7  FCM7    gb_26   
  FC7   FC8    gb_15   
  FC8  FCM8    gb_26   
  FC8   FC9    gb_15   
  FCA   FCB    gb_26   
  FCB   FOB    gb_17   
  FCB   FCG    gb_26   
  FOB   FHB    gb_1    
  FCG   FOG    gb_17   
  FCG   FCD    gb_26   
  FOG   FHG    gb_1    
  FCD   FOD    gb_17   
  FCD   FCE    gb_26   
  FOD   FHD    gb_1    
  FCE   FOZ    gb_17   
  FOZ   FPH    gb_27   
  FPH   FOH    gb_27   
  FPH  FOT1    gb_23   
  FPH  FOT2    gb_23   
  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_26   
 FN10  FC9A   FC9     ga_26   
 FC5A  FC9A   FC9     ga_26   
 FC9A  FN10 FC10A     ga_26   
 FC9A  FN10   FCA     ga_26   
FC10A  FN10   FCA     ga_26   
 FN10 FC10A   FN1     ga_26   
 FN10 FC10A  FC4A     ga_26   
  FN1 FC10A  FC4A     ga_26   
FC10A   FN1   FC2     ga_26   
  FN1   FC2   FO2     ga_26   
  FN1   FC2   FN3     ga_26   
  FO2   FC2   FN3     ga_26   
  FC2   FN3   FH3     ga_24   
  FC2   FN3   FC4     ga_26   
  FH3   FN3   FC4     ga_24   
  FN3   FC4   FO4     ga_26   
  FN3   FC4  FC4A     ga_26   
  FO4   FC4  FC4A     ga_26   
FC10A  FC4A   FC4     ga_26   
FC10A  FC4A   FN5     ga_26   
  FC4  FC4A   FN5     ga_26   
 FC4A   FN5  FC5A     ga_26   
 FC9A  FC5A   FN5     ga_26   
 FC9A  FC5A   FC6     ga_26   
  FN5  FC5A   FC6     ga_26   
 FC5A   FC6   FC7     ga_26   
  FC6   FC7  FCM7     ga_26   
  FC6   FC7   FC8     ga_26   
 FCM7   FC7   FC8     ga_26   
  FC7   FC8  FCM8     ga_26   
  FC7   FC8   FC9     ga_26   
 FCM8   FC8   FC9     ga_26   
 FC9A   FC9   FC8     ga_26   
 FN10   FCA   FCB     ga_14   
  FCA   FCB   FOB     ga_14   
  FCA   FCB   FCG     ga_14   
  FOB   FCB   FCG     ga_12   
  FCB   FOB   FHB     ga_11   
  FCB   FCG   FOG     ga_12   
  FCB   FCG   FCD     ga_14   
  FOG   FCG   FCD     ga_12   
  FCG   FOG   FHG     ga_11   
  FCG   FCD   FOD     ga_12   
  FCG   FCD   FCE     ga_14   
  FOD   FCD   FCE     ga_14   
  FCD   FOD   FHD     ga_11   
  FCD   FCE   FOZ     ga_14   
  FCE   FOZ   FPH     ga_25   
  FOZ   FPH   FOH     ga_4    
  FOZ   FPH  FOT1     ga_13   
  FOZ   FPH  FOT2     ga_13   
  FOH   FPH  FOT1     ga_13   
  FOH   FPH  FOT2     ga_13   
 FOT1   FPH  FOT2     ga_28   
  FPH   FOH   FHH     ga_11   
 [ impropers ]
;  ai    aj    ak    al   gromos type
  FC2   FN1   FN3   FO2     gi_1    
  FN3   FC2   FC4   FH3     gi_1    
  FC4   FN3  FC4A   FO4     gi_1    
  FN1   FC2   FN3   FC4     gi_1    
  FC2   FN3   FC4  FC4A     gi_1    
  FN3   FC4  FC4A FC10A     gi_1    
  FC4  FC4A FC10A   FN1     gi_1    
 FC4A FC10A   FN1   FC2     gi_1    
FC10A   FN1   FC2   FN3     gi_1    
 FC4A   FC4   FN5 FC10A     gi_1    
FC10A   FN1  FN10  FC4A     gi_1    
 FN10 FC10A  FC4A   FN5     gi_1    
 FN10  FC9A  FC5A   FN5     gi_1    
 FC5A   FN5   FC6  FC9A     gi_1    
 FC9A  FN10   FC9  FC5A     gi_1    
 FC5A   FC6   FC7   FC8     gi_1    
  FC6   FC7   FC8   FC9     gi_1    
  FC7   FC8   FC9  FC9A     gi_1    
  FC8   FC9  FC9A  FC5A     gi_1    
  FC9  FC9A  FC5A   FC6     gi_1    
 FC9A  FC5A   FC6   FC7     gi_1    
  FC7   FC6   FC8  FCM7     gi_1    
  FC8   FC7   FC9  FCM8     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
FC10A  FC4A   FN5  FC5A     gd_4    
 FC4A   FN5  FC5A  FC9A     gd_4    
 FC5A  FC9A  FN10 FC10A     gd_4    
 FC9A  FN10 FC10A  FC4A     gd_4    
 FC9A  FN10   FCA   FCB     gd_20   
 FN10   FCA   FCB   FCG     gd_17   
  FCA   FCB   FOB   FHB     gd_12   
  FCA   FCB   FCG   FCD     gd_17   
  FCB   FCG   FOG   FHG     gd_12   
  FCB   FCG   FCD   FCE     gd_17   
  FCG   FCD   FOD   FHD     gd_12   
  FCG   FCD   FCE   FOZ     gd_17   
  FCD   FCE   FOZ   FPH     gd_14   
  FCE   FOZ   FPH   FOH     gd_11   
  FCE   FOZ   FPH   FOH     gd_9    
  FOZ   FPH   FOH   FHH     gd_11   
  FOZ   FPH   FOH   FHH     gd_9    

[ 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_16   
 FC9A  FC5A    gb_15   
 FC9A   FC9    gb_15   
 FN10 FC10A    gb_16   
 FN10   FCA    gb_22   
FC10A   FN1    gb_11   
FC10A  FC4A    gb_15   
  FN1   FC2    gb_11   
  FC2   FO2    gb_4    
  FC2   FN3    gb_16   
  FN3   FH3    gb_2    
  FN3   FC4    gb_16   
  FC4   FO4    gb_4    
  FC4  FC4A    gb_15   
 FC4A   FN5    gb_16   
  FN5   FH5    gb_2    
  FN5  FC5A    gb_16   
 FC5A   FC6    gb_15   
  FC6   FC7    gb_15   
  FC7  FCM7    gb_26   
  FC7   FC8    gb_15   
  FC8  FCM8    gb_26   
  FC8   FC9    gb_15   
  FCA   FCB    gb_26   
  FCB   FOB    gb_17   
  FCB   FCG    gb_26   
  FOB   FHB    gb_1    
  FCG   FOG    gb_17   
  FCG   FCD    gb_26   
  FOG   FHG    gb_1    
  FCD   FOD    gb_17   
  FCD   FCE    gb_26   
  FOD   FHD    gb_1    
  FCE   FOZ    gb_17   
  FOZ   FPH    gb_27   
  FPH   FOH    gb_27   
  FPH  FOT1    gb_23   
  FPH  FOT2    gb_23   
  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_26   
 FN10  FC9A   FC9     ga_26   
 FC5A  FC9A   FC9     ga_26   
 FC9A  FN10 FC10A     ga_26   
 FC9A  FN10   FCA     ga_26   
FC10A  FN10   FCA     ga_26   
 FN10 FC10A   FN1     ga_26   
 FN10 FC10A  FC4A     ga_26   
  FN1 FC10A  FC4A     ga_26   
FC10A   FN1   FC2     ga_26   
  FN1   FC2   FO2     ga_26   
  FN1   FC2   FN3     ga_26   
  FO2   FC2   FN3     ga_26   
  FC2   FN3   FH3     ga_24   
  FC2   FN3   FC4     ga_26   
  FH3   FN3   FC4     ga_24   
  FN3   FC4   FO4     ga_26   
  FN3   FC4  FC4A     ga_26   
  FO4   FC4  FC4A     ga_26   
FC10A  FC4A   FC4     ga_26   
FC10A  FC4A   FN5     ga_26   
  FC4  FC4A   FN5     ga_26   
 FC4A   FN5   FH5     ga_24   
 FC4A   FN5  FC5A     ga_26   
  FH5   FN5  FC5A     ga_24   
 FC9A  FC5A   FN5     ga_26   
 FC9A  FC5A   FC6     ga_26   
  FN5  FC5A   FC6     ga_26   
 FC5A   FC6   FC7     ga_26   
  FC6   FC7  FCM7     ga_26   
  FC6   FC7   FC8     ga_26   
 FCM7   FC7   FC8     ga_26   
  FC7   FC8  FCM8     ga_26   
  FC7   FC8   FC9     ga_26   
 FCM8   FC8   FC9     ga_26   
 FC9A   FC9   FC8     ga_26   
 FN10   FCA   FCB     ga_14   
  FCA   FCB   FOB     ga_14   
  FCA   FCB   FCG     ga_14   
  FOB   FCB   FCG     ga_12   
  FCB   FOB   FHB     ga_11   
  FCB   FCG   FOG     ga_12   
  FCB   FCG   FCD     ga_14   
  FOG   FCG   FCD     ga_12   
  FCG   FOG   FHG     ga_11   
  FCG   FCD   FOD     ga_12   
  FCG   FCD   FCE     ga_14   
  FOD   FCD   FCE     ga_14   
  FCD   FOD   FHD     ga_11   
  FCD   FCE   FOZ     ga_14   
  FCE   FOZ   FPH     ga_25   
  FOZ   FPH   FOH     ga_4    
  FOZ   FPH  FOT1     ga_13   
  FOZ   FPH  FOT2     ga_13   
  FOH   FPH  FOT1     ga_13   
  FOH   FPH  FOT2     ga_13   
 FOT1   FPH  FOT2     ga_28   
  FPH   FOH   FHH     ga_11   
 [ impropers ]
;  ai    aj    ak    al   gromos type
  FC2   FN1   FN3   FO2     gi_1    
  FN3   FC2   FC4   FH3     gi_1    
  FC4   FN3  FC4A   FO4     gi_1    
  FN1   FC2   FN3   FC4     gi_1    
  FC2   FN3   FC4  FC4A     gi_1    
  FN3   FC4  FC4A FC10A     gi_1    
  FC4  FC4A FC10A   FN1     gi_1    
 FC4A FC10A   FN1   FC2     gi_1    
FC10A   FN1   FC2   FN3     gi_1    
 FC4A   FC4   FN5 FC10A     gi_1    
FC10A   FN1  FN10  FC4A     gi_1    
 FN10 FC10A  FC4A   FN5     gi_1    
 FN10  FC9A  FC5A   FN5     gi_1    
 FC5A   FN5   FC6  FC9A     gi_1    
 FC9A  FN10   FC9  FC5A     gi_1    
 FC5A   FC6   FC7   FC8     gi_1    
  FC6   FC7   FC8   FC9     gi_1    
  FC7   FC8   FC9  FC9A     gi_1    
  FC8   FC9  FC9A  FC5A     gi_1    
  FC9  FC9A  FC5A   FC6     gi_1    
 FC9A  FC5A   FC6   FC7     gi_1    
  FC7   FC6   FC8  FCM7     gi_1    
  FC8   FC7   FC9  FCM8     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
FC10A  FC4A   FN5  FC5A     gd_4    
 FC4A   FN5  FC5A  FC9A     gd_4    
 FC5A  FC9A  FN10 FC10A     gd_4    
 FC9A  FN10 FC10A  FC4A     gd_4    
 FC9A  FN10   FCA   FCB     gd_20   
 FN10   FCA   FCB   FCG     gd_17   
  FCA   FCB   FOB   FHB     gd_12   
  FCA   FCB   FCG   FCD     gd_17   
  FCB   FCG   FOG   FHG     gd_12   
  FCB   FCG   FCD   FCE     gd_17   
  FCG   FCD   FOD   FHD     gd_12   
  FCG   FCD   FCE   FOZ     gd_17   
  FCD   FCE   FOZ   FPH     gd_14   
  FCE   FOZ   FPH   FOH     gd_11   
  FCE   FOZ   FPH   FOH     gd_9    
  FOZ   FPH   FOH   FHH     gd_11   
  FOZ   FPH   FOH   FHH     gd_9    

[ 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_16   
 FC9A  FC5A    gb_15   
 FC9A   FC9    gb_15   
 FN10 FC10A    gb_16   
 FN10   FCA    gb_22   
FC10A   FN1    gb_16   
FC10A  FC4A    gb_15   
  FN1   FH1    gb_2    
  FN1   FC2    gb_16   
  FC2   FO2    gb_14   
  FC2   FN3    gb_16   
  FN3   FH3    gb_2    
  FN3   FC4    gb_16   
  FC4   FO4    gb_4    
  FC4  FC4A    gb_15   
 FC4A   FN5    gb_16   
  FN5   FH5    gb_2    
  FN5  FC5A    gb_16   
 FC5A   FC6    gb_15   
  FC6   FC7    gb_15   
  FC7  FCM7    gb_26   
  FC7   FC8    gb_15   
  FC8  FCM8    gb_26   
  FC8   FC9    gb_15   
  FCA   FCB    gb_26   
  FCB   FOB    gb_17   
  FCB   FCG    gb_26   
  FOB   FHB    gb_1    
  FCG   FOG    gb_17   
  FCG   FCD    gb_26   
  FOG   FHG    gb_1    
  FCD   FOD    gb_17   
  FCD   FCE    gb_26   
  FOD   FHD    gb_1    
  FCE   FOZ    gb_17   
  FOZ   FPH    gb_27   
  FPH   FOH    gb_27   
  FPH  FOT1    gb_23   
  FPH  FOT2    gb_23   
  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_26   
 FN10  FC9A   FC9     ga_26   
 FC5A  FC9A   FC9     ga_26   
 FC9A  FN10 FC10A     ga_26   
 FC9A  FN10   FCA     ga_26   
FC10A  FN10   FCA     ga_26   
 FN10 FC10A   FN1     ga_26   
 FN10 FC10A  FC4A     ga_26   
  FN1 FC10A  FC4A     ga_26   
FC10A   FN1   FH1     ga_24   
FC10A   FN1   FC2     ga_26   
  FH1   FN1   FC2     ga_24   
  FN1   FC2   FO2     ga_26   
  FN1   FC2   FN3     ga_26   
  FO2   FC2   FN3     ga_26   
  FC2   FN3   FH3     ga_24   
  FC2   FN3   FC4     ga_26   
  FH3   FN3   FC4     ga_24   
  FN3   FC4   FO4     ga_26   
  FN3   FC4  FC4A     ga_26   
  FO4   FC4  FC4A     ga_26   
FC10A  FC4A   FC4     ga_26   
FC10A  FC4A   FN5     ga_26   
  FC4  FC4A   FN5     ga_26   
 FC4A   FN5   FH5     ga_24   
 FC4A   FN5  FC5A     ga_26   
  FH5   FN5  FC5A     ga_24   
 FC9A  FC5A   FN5     ga_26   
 FC9A  FC5A   FC6     ga_26   
  FN5  FC5A   FC6     ga_26   
 FC5A   FC6   FC7     ga_26   
  FC6   FC7  FCM7     ga_26   
  FC6   FC7   FC8     ga_26   
 FCM7   FC7   FC8     ga_26   
  FC7   FC8  FCM8     ga_26   
  FC7   FC8   FC9     ga_26   
 FCM8   FC8   FC9     ga_26   
 FC9A   FC9   FC8     ga_26   
 FN10   FCA   FCB     ga_14   
  FCA   FCB   FOB     ga_14   
  FCA   FCB   FCG     ga_14   
  FOB   FCB   FCG     ga_12   
  FCB   FOB   FHB     ga_11   
  FCB   FCG   FOG     ga_12   
  FCB   FCG   FCD     ga_14   
  FOG   FCG   FCD     ga_12   
  FCG   FOG   FHG     ga_11   
  FCG   FCD   FOD     ga_12   
  FCG   FCD   FCE     ga_14   
  FOD   FCD   FCE     ga_14   
  FCD   FOD   FHD     ga_11   
  FCD   FCE   FOZ     ga_14   
  FCE   FOZ   FPH     ga_25   
  FOZ   FPH   FOH     ga_4    
  FOZ   FPH  FOT1     ga_13   
  FOZ   FPH  FOT2     ga_13   
  FOH   FPH  FOT1     ga_13   
  FOH   FPH  FOT2     ga_13   
 FOT1   FPH  FOT2     ga_28   
  FPH   FOH   FHH     ga_11   
 [ impropers ]
;  ai    aj    ak    al   gromos type
  FN1 FC10A   FC2   FH1     gi_1    
  FC2   FN1   FN3   FO2     gi_1    
  FN3   FC2   FC4   FH3     gi_1    
  FC4   FN3  FC4A   FO4     gi_1    
  FN1   FC2   FN3   FC4     gi_1    
  FC2   FN3   FC4  FC4A     gi_1    
  FN3   FC4  FC4A FC10A     gi_1    
  FC4  FC4A FC10A   FN1     gi_1    
 FC4A FC10A   FN1   FC2     gi_1    
FC10A   FN1   FC2   FN3     gi_1    
 FC4A   FC4   FN5 FC10A     gi_1    
FC10A   FN1  FN10  FC4A     gi_1    
 FN10 FC10A  FC4A   FN5     gi_1    
 FN10  FC9A  FC5A   FN5     gi_1    
 FC5A   FN5   FC6  FC9A     gi_1    
 FC9A  FN10   FC9  FC5A     gi_1    
 FC5A   FC6   FC7   FC8     gi_1    
  FC6   FC7   FC8   FC9     gi_1    
  FC7   FC8   FC9  FC9A     gi_1    
  FC8   FC9  FC9A  FC5A     gi_1    
  FC9  FC9A  FC5A   FC6     gi_1    
 FC9A  FC5A   FC6   FC7     gi_1    
  FC7   FC6   FC8  FCM7     gi_1    
  FC8   FC7   FC9  FCM8     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
FC10A  FC4A   FN5  FC5A     gd_4    
 FC4A   FN5  FC5A  FC9A     gd_4    
 FC5A  FC9A  FN10 FC10A     gd_4    
 FC9A  FN10 FC10A  FC4A     gd_4    
 FC9A  FN10   FCA   FCB     gd_20   
 FN10   FCA   FCB   FCG     gd_17   
  FCA   FCB   FOB   FHB     gd_12   
  FCA   FCB   FCG   FCD     gd_17   
  FCB   FCG   FOG   FHG     gd_12   
  FCB   FCG   FCD   FCE     gd_17   
  FCG   FCD   FOD   FHD     gd_12   
  FCG   FCD   FCE   FOZ     gd_17   
  FCD   FCE   FOZ   FPH     gd_14   
  FCE   FOZ   FPH   FOH     gd_11   
  FCE   FOZ   FPH   FOH     gd_9    
  FOZ   FPH   FOH   FHH     gd_11   
  FOZ   FPH   FOH   FHH     gd_9    

[ 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_15   
 FC9A  FC5A    gb_15   
 FC9A   FC9    gb_15   
 FC10 FC10A    gb_15   
FC10A   FC1    gb_15   
FC10A  FC4A    gb_15   
  FC1   FC2    gb_15   
  FC2   FC3    gb_15   
  FC3   FN3    gb_8    
  FC3   FC4    gb_15   
  FN3  FH31    gb_2    
  FN3  FH32    gb_2    
  FC4  FC4A    gb_15   
 FC4A   FN5    gb_16   
  FN5   FH5    gb_2    
  FN5  FC5A    gb_16   
 FC5A   FC6    gb_15   
  FC6   FC7    gb_15   
  FC7   FN7    gb_8    
  FC7   FC8    gb_15   
  FN7  FH71    gb_2    
  FN7  FH72    gb_2    
  FC8   FC9    gb_15   
 [ 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_26   
 FC10  FC9A   FC9     ga_26   
 FC5A  FC9A   FC9     ga_26   
 FC9A  FC10 FC10A     ga_26   
 FC10 FC10A   FC1     ga_26   
 FC10 FC10A  FC4A     ga_26   
  FC1 FC10A  FC4A     ga_26   
FC10A   FC1   FC2     ga_26   
  FC1   FC2   FC3     ga_26   
  FC2   FC3   FN3     ga_26   
  FC2   FC3   FC4     ga_26   
  FN3   FC3   FC4     ga_26   
  FC3   FN3  FH31     ga_22   
  FC3   FN3  FH32     ga_22   
 FH31   FN3  FH32     ga_23   
  FC3   FC4  FC4A     ga_26   
FC10A  FC4A   FC4     ga_26   
FC10A  FC4A   FN5     ga_26   
  FC4  FC4A   FN5     ga_26   
 FC4A   FN5   FH5     ga_24   
 FC4A   FN5  FC5A     ga_26   
  FH5   FN5  FC5A     ga_24   
 FC9A  FC5A   FN5     ga_26   
 FC9A  FC5A   FC6     ga_26   
  FN5  FC5A   FC6     ga_26   
 FC5A   FC6   FC7     ga_26   
  FC6   FC7   FN7     ga_26   
  FC6   FC7   FC8     ga_26   
  FN7   FC7   FC8     ga_26   
  FC7   FN7  FH71     ga_22   
  FC7   FN7  FH72     ga_22   
 FH71   FN7  FH72     ga_23   
  FC7   FC8   FC9     ga_26   
  FC8   FC9  FC9A     ga_26   
 [ impropers ]
;  ai    aj    ak    al   gromos type
 FC9A  FC10 FC10A  FC4A     gi_1    
 FC10 FC10A  FC4A   FN5     gi_1    
FC10A  FC4A   FN5  FC5A     gi_1    
 FC4A   FN5  FC5A  FC9A     gi_1    
  FN5  FC5A  FC9A  FC10     gi_1    
 FC5A  FC9A  FC10 FC10A     gi_1    
  FN5  FC4A  FC5A   FH5     gi_1    
FC10A   FC1  FC10  FC4A     gi_1    
 FC4A   FC4   FN5 FC10A     gi_1    
 FC4A FC10A   FC1   FC2     gi_1    
FC10A   FC1   FC2   FC3     gi_1    
  FC1   FC2   FC3   FC4     gi_1    
  FC2   FC3   FC4  FC4A     gi_1    
  FC3   FC4  FC4A FC10A     gi_1    
  FC4  FC4A FC10A   FC1     gi_1    
  FC3   FC2   FC4   FN3     gi_1    
  FN3  FH31  FH32   FC3     gi_1    
 FC5A   FN5   FC6  FC9A     gi_1    
 FC9A  FC10   FC9  FC5A     gi_1    
 FC5A   FC6   FC7   FC8     gi_1    
  FC6   FC7   FC8   FC9     gi_1    
  FC7   FC8   FC9  FC9A     gi_1    
  FC8   FC9  FC9A  FC5A     gi_1    
  FC9  FC9A  FC5A   FC6     gi_1    
 FC9A  FC5A   FC6   FC7     gi_1    
  FC7   FC8   FC6   FN7     gi_1    
  FN7  FH71  FH72   FC7     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  FC2   FC3   FN3  FH31     gd_4    
  FC8   FC7   FN7  FH71     gd_4    

[ 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_23   
   AP  AO2P    gb_23   
   AP  AO5*    gb_27   
   AP   O3P    gb_27   
 AO5*  AC5*    gb_19   
  O3P    NP    gb_27   
   NP  NO1P    gb_23   
   NP  NO2P    gb_23   
   NP  NO5*    gb_27   
 NO5*  NC5*    gb_19   
 AC5*  AC4*    gb_25   
 AC4*  AO4*    gb_19   
 AC4*  AC3*    gb_25   
 AO4*  AC1*    gb_19   
 AC1*   AN9    gb_21   
 AC1*  AC2*    gb_25   
  AN9   AC4    gb_9    
  AN9   AC8    gb_9    
  AC4   AN3    gb_11   
  AC4   AC5    gb_15   
  AN3   AC2    gb_6    
  AC2   AN1    gb_6    
  AN1   AC6    gb_11   
  AC6   AN6    gb_8    
  AC6   AC5    gb_15   
  AN6  AH61    gb_2    
  AN6  AH62    gb_2    
  AC5   AN7    gb_9    
  AN7   AC8    gb_9    
 AC2*  AO2*    gb_19   
 AC2*  AC3*    gb_25   
 AO2*  AH2*    gb_1    
 AC3*  AO3*    gb_19   
 AO3*  AH3*    gb_1    
 NC5*  NC4*    gb_25   
 NC4*  NO4*    gb_19   
 NC4*  NC3*    gb_25   
 NO4*  NC1*    gb_19   
 NC1*   NN1    gb_22   
 NC1*  NC2*    gb_25   
  NN1   NC6    gb_16   
  NN1   NC2    gb_16   
  NC6   NC5    gb_15   
  NC2   NC3    gb_15   
  NC3   NC4    gb_15   
  NC3   NC7    gb_26   
  NC4   NC5    gb_15   
  NC7   NO7    gb_4    
  NC7   NN7    gb_8    
  NN7  NH71    gb_2    
  NN7  NH72    gb_2    
 NC2*  NO2*    gb_19   
 NC2*  NC3*    gb_25   
 NO2*  NH2*    gb_1    
 NC3*  NO3*    gb_19   
 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_28   
 AO1P    AP  AO5*     ga_13   
 AO1P    AP   O3P     ga_13   
 AO2P    AP  AO5*     ga_13   
 AO2P    AP   O3P     ga_13   
 AO5*    AP   O3P     ga_4    
   AP  AO5*  AC5*     ga_25   
   AP   O3P    NP     ga_25   
  O3P    NP  NO1P     ga_13   
  O3P    NP  NO2P     ga_13   
  O3P    NP  NO5*     ga_4    
 NO1P    NP  NO2P     ga_28   
 NO1P    NP  NO5*     ga_13   
 NO2P    NP  NO5*     ga_13   
   NP  NO5*  NC5*     ga_25   
 AO5*  AC5*  AC4*     ga_8    
 AC5*  AC4*  AO4*     ga_8    
 AC5*  AC4*  AC3*     ga_7    
 AO4*  AC4*  AC3*     ga_8    
 AC4*  AO4*  AC1*     ga_9    
 AO4*  AC1*   AN9     ga_8    
 AO4*  AC1*  AC2*     ga_8    
  AN9  AC1*  AC2*     ga_8    
 AC1*   AN9   AC4     ga_36   
 AC1*   AN9   AC8     ga_36   
  AC4   AN9   AC8     ga_6    
  AN9   AC4   AN3     ga_38   
  AN9   AC4   AC5     ga_6    
  AN3   AC4   AC5     ga_26   
  AC4   AN3   AC2     ga_26   
  AN3   AC2   AN1     ga_26   
  AC2   AN1   AC6     ga_26   
  AN1   AC6   AN6     ga_26   
  AN1   AC6   AC5     ga_26   
  AN6   AC6   AC5     ga_26   
  AC6   AN6  AH61     ga_22   
  AC6   AN6  AH62     ga_22   
 AH61   AN6  AH62     ga_23   
  AC4   AC5   AC6     ga_26   
  AC4   AC5   AN7     ga_6    
  AC6   AC5   AN7     ga_38   
  AC5   AN7   AC8     ga_6    
  AN9   AC8   AN7     ga_6    
 AC1*  AC2*  AO2*     ga_8    
 AC1*  AC2*  AC3*     ga_7    
 AO2*  AC2*  AC3*     ga_8    
 AC2*  AO2*  AH2*     ga_11   
 AC4*  AC3*  AC2*     ga_7    
 AC4*  AC3*  AO3*     ga_8    
 AC2*  AC3*  AO3*     ga_8    
 AC3*  AO3*  AH3*     ga_11   
 NO5*  NC5*  NC4*     ga_8    
 NC5*  NC4*  NO4*     ga_8    
 NC5*  NC4*  NC3*     ga_7    
 NO4*  NC4*  NC3*     ga_8    
 NC4*  NO4*  NC1*     ga_9    
 NO4*  NC1*   NN1     ga_8    
 NO4*  NC1*  NC2*     ga_8    
  NN1  NC1*  NC2*     ga_7    
 NC1*   NN1   NC6     ga_26   
 NC1*   NN1   NC2     ga_26   
  NC6   NN1   NC2     ga_26   
  NN1   NC6   NC5     ga_26   
  NN1   NC2   NC3     ga_26   
  NC2   NC3   NC4     ga_26   
  NC2   NC3   NC7     ga_26   
  NC4   NC3   NC7     ga_26   
  NC3   NC4   NC5     ga_26   
  NC6   NC5   NC4     ga_26   
  NC3   NC7   NO7     ga_29   
  NC3   NC7   NN7     ga_18   
  NO7   NC7   NN7     ga_32   
  NC7   NN7  NH71     ga_22   
  NC7   NN7  NH72     ga_22   
 NH71   NN7  NH72     ga_23   
 NC1*  NC2*  NO2*     ga_8    
 NC1*  NC2*  NC3*     ga_7    
 NO2*  NC2*  NC3*     ga_8    
 NC2*  NO2*  NH2*     ga_11   
 NC4*  NC3*  NC2*     ga_7    
 NC4*  NC3*  NO3*     ga_8    
 NC2*  NC3*  NO3*     ga_8    
 NC3*  NO3*  NH3*     ga_11   
 [ impropers ]
;  ai    aj    ak    al   gromos type
 AC4*  AO4*  AC5*  AC3*     gi_2    
 AC3*  AC2*  AO3*  AC4*     gi_2    
 AC2*  AO2*  AC3*  AC1*     gi_2    
 AC1*   AN9  AO4*  AC2*     gi_2    
  AN9   AC8   AC4  AC1*     gi_1    
  AC4   AN9   AC8   AN7     gi_1    
  AC8   AN9   AC4   AC5     gi_1    
  AN9   AC8   AN7   AC5     gi_1    
  AN9   AC4   AC5   AN7     gi_1    
  AC8   AN7   AC5   AC4     gi_1    
  AC4   AN9   AN3   AC5     gi_1    
  AC5   AC6   AN7   AC4     gi_1    
  AN3   AC4   AC5   AC6     gi_1    
  AC4   AC5   AC6   AN1     gi_1    
  AC5   AC4   AN3   AC2     gi_1    
  AC5   AC6   AN1   AC2     gi_1    
  AC4   AN3   AC2   AN1     gi_1    
  AN3   AC2   AN1   AC6     gi_1    
  AC6   AC5   AN1   AN6     gi_1    
  AN6  AH61  AH62   AC6     gi_1    
 NC4*  NO4*  NC5*  NC3*     gi_2    
 NC3*  NC2*  NO3*  NC4*     gi_2    
 NC2*  NO2*  NC3*  NC1*     gi_2    
 NC1*   NN1  NO4*  NC2*     gi_2    
  NN1   NC6   NC2  NC1*     gi_1    
  NC2   NN1   NC6   NC5     gi_1    
  NC6   NN1   NC2   NC3     gi_1    
  NN1   NC6   NC5   NC4     gi_1    
  NN1   NC2   NC3   NC4     gi_1    
  NC6   NC5   NC4   NC3     gi_1    
  NC2   NC3   NC4   NC5     gi_1    
  NC3   NC4   NC2   NC7     gi_1    
  NC7   NO7   NN7   NC3     gi_1    
  NN7  NH71  NH72   NC7     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
 AO5*    AP   O3P    NP     gd_11   
 AO5*    AP   O3P    NP     gd_9    
  O3P    AP  AO5*  AC5*     gd_11   
  O3P    AP  AO5*  AC5*     gd_9    
   AP  AO5*  AC5*  AC4*     gd_14   
 AO5*  AC5*  AC4*  AC3*     gd_17   
 AO5*  AC5*  AC4*  AC3*     gd_7    
 AO5*  AC5*  AC4*  AO4*     gd_8    
 AC5*  AC4*  AC3*  AC2*     gd_17   
 AC5*  AC4*  AC3*  AO3*     gd_7    
 AO4*  AC4*  AC3*  AC2*     gd_7    
 AO4*  AC4*  AC3*  AO3*     gd_8    
 AC4*  AC3*  AC2*  AC1*     gd_17   
 AO3*  AC3*  AC2*  AC1*     gd_7    
 AC4*  AC3*  AC2*  AO2*     gd_7    
 AO3*  AC3*  AC2*  AO2*     gd_8    
 AC3*  AC2*  AC1*  AO4*     gd_17   
 AC3*  AC2*  AC1*  AO4*     gd_7    
 AO2*  AC2*  AC1*   AN9     gd_7    
 AO2*  AC2*  AC1*  AO4*     gd_8    
 AC3*  AC4*  AO4*  AC1*     gd_14   
 AC4*  AO4*  AC1*  AC2*     gd_14   
 AC1*  AC2*  AO2*  AH2*     gd_12   
 AC4*  AC3*  AO3*  AH3*     gd_12   
 AO4*  AC1*   AN9   AC4     gd_6    
  AC5   AC6   AN6  AH61     gd_4    
   AP   O3P    NP  NO5*     gd_11   
   AP   O3P    NP  NO5*     gd_9    
  O3P    NP  NO5*  NC5*     gd_11   
  O3P    NP  NO5*  NC5*     gd_9    
   NP  NO5*  NC5*  NC4*     gd_14   
 NO5*  NC5*  NC4*  NC3*     gd_17   
 NO5*  NC5*  NC4*  NC3*     gd_7    
 NO5*  NC5*  NC4*  NO4*     gd_8    
 NC5*  NC4*  NC3*  NC2*     gd_17   
 NC5*  NC4*  NC3*  NO3*     gd_7    
 NO4*  NC4*  NC3*  NC2*     gd_7    
 NO4*  NC4*  NC3*  NO3*     gd_8    
 NC4*  NC3*  NC2*  NC1*     gd_17   
 NO3*  NC3*  NC2*  NC1*     gd_7    
 NC4*  NC3*  NC2*  NO2*     gd_7    
 NO3*  NC3*  NC2*  NO2*     gd_8    
 NC3*  NC2*  NC1*  NO4*     gd_17   
 NC3*  NC2*  NC1*  NO4*     gd_7    
 NO2*  NC2*  NC1*   NN1     gd_7    
 NO2*  NC2*  NC1*  NO4*     gd_8    
 NC3*  NC4*  NO4*  NC1*     gd_14   
 NC4*  NO4*  NC1*  NC2*     gd_14   
 NC1*  NC2*  NO2*  NH2*     gd_12   
 NC4*  NC3*  NO3*  NH3*     gd_12   
 NO4*  NC1*   NN1   NC2     gd_6    
  NC2   NC3   NC7   NN7     gd_1    
  NC3   NC7   NN7  NH71     gd_4    

[ 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_23   
   AP  AO2P    gb_23   
   AP  AO5*    gb_27   
   AP   O3P    gb_27   
 AO5*  AC5*    gb_19   
  O3P    NP    gb_27   
   NP  NO1P    gb_23   
   NP  NO2P    gb_23   
   NP  NO5*    gb_27   
 NO5*  NC5*    gb_19   
 AC5*  AC4*    gb_25   
 AC4*  AO4*    gb_19   
 AC4*  AC3*    gb_25   
 AO4*  AC1*    gb_19   
 AC1*   AN9    gb_21   
 AC1*  AC2*    gb_25   
  AN9   AC4    gb_9    
  AN9   AC8    gb_9    
  AC4   AN3    gb_11   
  AC4   AC5    gb_15   
  AN3   AC2    gb_6    
  AC2   AN1    gb_6    
  AN1   AC6    gb_11   
  AC6   AN6    gb_8    
  AC6   AC5    gb_15   
  AN6  AH61    gb_2    
  AN6  AH62    gb_2    
  AC5   AN7    gb_9    
  AN7   AC8    gb_9    
 AC2*  AO2*    gb_19   
 AC2*  AC3*    gb_25   
 AO2*  AH2*    gb_1    
 AC3*  AO3*    gb_19   
 AO3*  AH3*    gb_1    
 NC5*  NC4*    gb_25   
 NC4*  NO4*    gb_19   
 NC4*  NC3*    gb_25   
 NO4*  NC1*    gb_19   
 NC1*   NN1    gb_22   
 NC1*  NC2*    gb_25   
  NN1   NC6    gb_16   
  NN1   NC2    gb_16   
  NC6   NC5    gb_15   
  NC2   NC3    gb_15   
  NC3   NC4    gb_14   
  NC3   NC7    gb_26   
  NC4   NC5    gb_14   
  NC7   NO7    gb_4    
  NC7   NN7    gb_8    
  NN7  NH71    gb_2    
  NN7  NH72    gb_2    
 NC2*  NO2*    gb_19   
 NC2*  NC3*    gb_25   
 NO2*  NH2*    gb_1    
 NC3*  NO3*    gb_19   
 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_28   
 AO1P    AP  AO5*     ga_13   
 AO1P    AP   O3P     ga_13   
 AO2P    AP  AO5*     ga_13   
 AO2P    AP   O3P     ga_13   
 AO5*    AP   O3P     ga_4    
   AP  AO5*  AC5*     ga_25   
   AP   O3P    NP     ga_25   
  O3P    NP  NO1P     ga_13   
  O3P    NP  NO2P     ga_13   
  O3P    NP  NO5*     ga_4    
 NO1P    NP  NO2P     ga_28   
 NO1P    NP  NO5*     ga_13   
 NO2P    NP  NO5*     ga_13   
   NP  NO5*  NC5*     ga_25   
 AO5*  AC5*  AC4*     ga_8    
 AC5*  AC4*  AO4*     ga_8    
 AC5*  AC4*  AC3*     ga_7    
 AO4*  AC4*  AC3*     ga_8    
 AC4*  AO4*  AC1*     ga_9    
 AO4*  AC1*   AN9     ga_8    
 AO4*  AC1*  AC2*     ga_8    
  AN9  AC1*  AC2*     ga_8    
 AC1*   AN9   AC4     ga_36   
 AC1*   AN9   AC8     ga_36   
  AC4   AN9   AC8     ga_6    
  AN9   AC4   AN3     ga_38   
  AN9   AC4   AC5     ga_6    
  AN3   AC4   AC5     ga_26   
  AC4   AN3   AC2     ga_26   
  AN3   AC2   AN1     ga_26   
  AC2   AN1   AC6     ga_26   
  AN1   AC6   AN6     ga_26   
  AN1   AC6   AC5     ga_26   
  AN6   AC6   AC5     ga_26   
  AC6   AN6  AH61     ga_22   
  AC6   AN6  AH62     ga_22   
 AH61   AN6  AH62     ga_23   
  AC4   AC5   AC6     ga_26   
  AC4   AC5   AN7     ga_6    
  AC6   AC5   AN7     ga_38   
  AC5   AN7   AC8     ga_6    
  AN9   AC8   AN7     ga_6    
 AC1*  AC2*  AO2*     ga_8    
 AC1*  AC2*  AC3*     ga_7    
 AO2*  AC2*  AC3*     ga_8    
 AC2*  AO2*  AH2*     ga_11   
 AC4*  AC3*  AC2*     ga_7    
 AC4*  AC3*  AO3*     ga_8    
 AC2*  AC3*  AO3*     ga_8    
 AC3*  AO3*  AH3*     ga_11   
 NO5*  NC5*  NC4*     ga_8    
 NC5*  NC4*  NO4*     ga_8    
 NC5*  NC4*  NC3*     ga_7    
 NO4*  NC4*  NC3*     ga_8    
 NC4*  NO4*  NC1*     ga_9    
 NO4*  NC1*   NN1     ga_8    
 NO4*  NC1*  NC2*     ga_8    
  NN1  NC1*  NC2*     ga_7    
 NC1*   NN1   NC6     ga_26   
 NC1*   NN1   NC2     ga_26   
  NC6   NN1   NC2     ga_26   
  NN1   NC6   NC5     ga_26   
  NN1   NC2   NC3     ga_26   
  NC2   NC3   NC4     ga_26   
  NC2   NC3   NC7     ga_26   
  NC4   NC3   NC7     ga_26   
  NC3   NC4   NC5     ga_26   
  NC6   NC5   NC4     ga_26   
  NC3   NC7   NO7     ga_29   
  NC3   NC7   NN7     ga_18   
  NO7   NC7   NN7     ga_32   
  NC7   NN7  NH71     ga_22   
  NC7   NN7  NH72     ga_22   
 NH71   NN7  NH72     ga_23   
 NC1*  NC2*  NO2*     ga_8    
 NC1*  NC2*  NC3*     ga_7    
 NO2*  NC2*  NC3*     ga_8    
 NC2*  NO2*  NH2*     ga_11   
 NC4*  NC3*  NC2*     ga_7    
 NC4*  NC3*  NO3*     ga_8    
 NC2*  NC3*  NO3*     ga_8    
 NC3*  NO3*  NH3*     ga_11   
 [ impropers ]
;  ai    aj    ak    al   gromos type
 AC4*  AO4*  AC5*  AC3*     gi_2    
 AC3*  AC2*  AO3*  AC4*     gi_2    
 AC2*  AO2*  AC3*  AC1*     gi_2    
 AC1*   AN9  AO4*  AC2*     gi_2    
  AN9   AC8   AC4  AC1*     gi_1    
  AC4   AN9   AC8   AN7     gi_1    
  AC8   AN9   AC4   AC5     gi_1    
  AN9   AC8   AN7   AC5     gi_1    
  AN9   AC4   AC5   AN7     gi_1    
  AC8   AN7   AC5   AC4     gi_1    
  AC4   AN9   AN3   AC5     gi_1    
  AC5   AC6   AN7   AC4     gi_1    
  AN3   AC4   AC5   AC6     gi_1    
  AC4   AC5   AC6   AN1     gi_1    
  AC5   AC4   AN3   AC2     gi_1    
  AC5   AC6   AN1   AC2     gi_1    
  AC4   AN3   AC2   AN1     gi_1    
  AN3   AC2   AN1   AC6     gi_1    
  AC6   AC5   AN1   AN6     gi_1    
  AN6  AH61  AH62   AC6     gi_1    
 NC4*  NO4*  NC5*  NC3*     gi_1    
 NC3*  NC2*  NO3*  NC4*     gi_1    
 NC2*  NO2*  NC3*  NC1*     gi_1    
 NC1*   NN1  NO4*  NC2*     gi_1    
  NN1   NC6   NC2  NC1*     gi_1    
  NC2   NN1   NC6   NC5     gi_1    
  NC6   NN1   NC2   NC3     gi_1    
  NN1   NC6   NC5   NC4     gi_1    
  NN1   NC2   NC3   NC4     gi_1    
  NC6   NC5   NC4   NC3     gi_1    
  NC2   NC3   NC4   NC5     gi_1    
  NC3   NC4   NC2   NC7     gi_1    
  NC7   NO7   NN7   NC3     gi_1    
  NN7  NH71  NH72   NC7     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
 AO5*    AP   O3P    NP     gd_11   
 AO5*    AP   O3P    NP     gd_9    
  O3P    AP  AO5*  AC5*     gd_11   
  O3P    AP  AO5*  AC5*     gd_9    
   AP  AO5*  AC5*  AC4*     gd_14   
 AO5*  AC5*  AC4*  AC3*     gd_17   
 AO5*  AC5*  AC4*  AC3*     gd_7    
 AO5*  AC5*  AC4*  AO4*     gd_8    
 AC5*  AC4*  AC3*  AC2*     gd_17   
 AC5*  AC4*  AC3*  AO3*     gd_7    
 AO4*  AC4*  AC3*  AC2*     gd_7    
 AO4*  AC4*  AC3*  AO3*     gd_8    
 AC4*  AC3*  AC2*  AC1*     gd_17   
 AO3*  AC3*  AC2*  AC1*     gd_7    
 AC4*  AC3*  AC2*  AO2*     gd_7    
 AO3*  AC3*  AC2*  AO2*     gd_8    
 AC3*  AC2*  AC1*  AO4*     gd_17   
 AC3*  AC2*  AC1*  AO4*     gd_7    
 AO2*  AC2*  AC1*   AN9     gd_7    
 AO2*  AC2*  AC1*  AO4*     gd_8    
 AC3*  AC4*  AO4*  AC1*     gd_14   
 AC4*  AO4*  AC1*  AC2*     gd_14   
 AC1*  AC2*  AO2*  AH2*     gd_12   
 AC4*  AC3*  AO3*  AH3*     gd_12   
 AO4*  AC1*   AN9   AC4     gd_6    
  AC5   AC6   AN6  AH61     gd_4    
   AP   O3P    NP  NO5*     gd_11   
   AP   O3P    NP  NO5*     gd_9    
  O3P    NP  NO5*  NC5*     gd_11   
  O3P    NP  NO5*  NC5*     gd_9    
   NP  NO5*  NC5*  NC4*     gd_14   
 NO5*  NC5*  NC4*  NC3*     gd_17   
 NO5*  NC5*  NC4*  NC3*     gd_7    
 NO5*  NC5*  NC4*  NO4*     gd_8    
 NC5*  NC4*  NC3*  NC2*     gd_17   
 NC5*  NC4*  NC3*  NO3*     gd_7    
 NO4*  NC4*  NC3*  NC2*     gd_7    
 NO4*  NC4*  NC3*  NO3*     gd_8    
 NC4*  NC3*  NC2*  NC1*     gd_17   
 NO3*  NC3*  NC2*  NC1*     gd_7    
 NC4*  NC3*  NC2*  NO2*     gd_7    
 NO3*  NC3*  NC2*  NO2*     gd_8    
 NC3*  NC2*  NC1*  NO4*     gd_17   
 NC3*  NC2*  NC1*  NO4*     gd_7    
 NO2*  NC2*  NC1*   NN1     gd_7    
 NO2*  NC2*  NC1*  NO4*     gd_8    
 NC3*  NC4*  NO4*  NC1*     gd_14   
 NC4*  NO4*  NC1*  NC2*     gd_14   
 NC1*  NC2*  NO2*  NH2*     gd_12   
 NC4*  NC3*  NO3*  NH3*     gd_12   
 NO4*  NC1*   NN1   NC2     gd_6    
  NC2   NC3   NC7   NN7     gd_1    
  NC3   NC7   NN7  NH71     gd_4    

[ 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_23   
   AP  AO2P    gb_23   
   AP  AO5*    gb_27   
   AP   O3P    gb_27   
 AO5*  AC5*    gb_19   
  O3P    NP    gb_27   
   NP  NO1P    gb_23   
   NP  NO2P    gb_23   
   NP  NO5*    gb_27   
 NO5*  NC5*    gb_19   
 AC5*  AC4*    gb_25   
 AC4*  AO4*    gb_19   
 AC4*  AC3*    gb_25   
 AO4*  AC1*    gb_19   
 AC1*   AN9    gb_21   
 AC1*  AC2*    gb_25   
  AN9   AC4    gb_9    
  AN9   AC8    gb_9    
  AC4   AN3    gb_11   
  AC4   AC5    gb_15   
  AN3   AC2    gb_6    
  AC2   AN1    gb_6    
  AN1   AC6    gb_11   
  AC6   AN6    gb_8    
  AC6   AC5    gb_15   
  AN6  AH61    gb_2    
  AN6  AH62    gb_2    
  AC5   AN7    gb_9    
  AN7   AC8    gb_9    
 AC2*  AO2*    gb_19   
 AC2*  AC3*    gb_25   
 AO2*  AP2*    gb_27   
 AP2*  AO6*    gb_23   
 AP2*  AO7*    gb_23   
 AP2*  AO8*    gb_27   
 AO8*  AH8*    gb_1    
 AC3*  AO3*    gb_19   
 AO3*  AH3*    gb_1    
 NC5*  NC4*    gb_25   
 NC4*  NO4*    gb_19   
 NC4*  NC3*    gb_25   
 NO4*  NC1*    gb_19   
 NC1*   NN1    gb_22   
 NC1*  NC2*    gb_25   
  NN1   NC6    gb_16   
  NN1   NC2    gb_16   
  NC6   NC5    gb_15   
  NC2   NC3    gb_15   
  NC3   NC4    gb_14   
  NC3   NC7    gb_26   
  NC4   NC5    gb_14   
  NC7   NO7    gb_4    
  NC7   NN7    gb_8    
  NN7  NH71    gb_2    
  NN7  NH72    gb_2    
 NC2*  NO2*    gb_19   
 NC2*  NC3*    gb_25   
 NO2*  NH2*    gb_1    
 NC3*  NO3*    gb_19   
 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_28   
 AO1P    AP  AO5*     ga_13   
 AO1P    AP   O3P     ga_13   
 AO2P    AP  AO5*     ga_13   
 AO2P    AP   O3P     ga_13   
 AO5*    AP   O3P     ga_4    
   AP  AO5*  AC5*     ga_25   
   AP   O3P    NP     ga_25   
  O3P    NP  NO1P     ga_13   
  O3P    NP  NO2P     ga_13   
  O3P    NP  NO5*     ga_4    
 NO1P    NP  NO2P     ga_28   
 NO1P    NP  NO5*     ga_13   
 NO2P    NP  NO5*     ga_13   
   NP  NO5*  NC5*     ga_25   
 AO5*  AC5*  AC4*     ga_8    
 AC5*  AC4*  AO4*     ga_8    
 AC5*  AC4*  AC3*     ga_7    
 AO4*  AC4*  AC3*     ga_8    
 AC4*  AO4*  AC1*     ga_9    
 AO4*  AC1*   AN9     ga_8    
 AO4*  AC1*  AC2*     ga_8    
  AN9  AC1*  AC2*     ga_8    
 AC1*   AN9   AC4     ga_36   
 AC1*   AN9   AC8     ga_36   
  AC4   AN9   AC8     ga_6    
  AN9   AC4   AN3     ga_38   
  AN9   AC4   AC5     ga_6    
  AN3   AC4   AC5     ga_26   
  AC4   AN3   AC2     ga_26   
  AN3   AC2   AN1     ga_26   
  AC2   AN1   AC6     ga_26   
  AN1   AC6   AN6     ga_26   
  AN1   AC6   AC5     ga_26   
  AN6   AC6   AC5     ga_26   
  AC6   AN6  AH61     ga_22   
  AC6   AN6  AH62     ga_22   
 AH61   AN6  AH62     ga_23   
  AC4   AC5   AC6     ga_26   
  AC4   AC5   AN7     ga_6    
  AC6   AC5   AN7     ga_38   
  AC5   AN7   AC8     ga_6    
  AN9   AC8   AN7     ga_6    
 AC1*  AC2*  AO2*     ga_8    
 AC1*  AC2*  AC3*     ga_7    
 AO2*  AC2*  AC3*     ga_8    
 AC2*  AO2*  AP2*     ga_25   
 AO2*  AP2*  AO6*     ga_13   
 AO2*  AP2*  AO7*     ga_13   
 AO2*  AP2*  AO8*     ga_4    
 AO6*  AP2*  AO7*     ga_28   
 AO6*  AP2*  AO8*     ga_13   
 AO7*  AP2*  AO8*     ga_13   
 AP2*  AO8*  AH8*     ga_11   
 AC4*  AC3*  AC2*     ga_7    
 AC4*  AC3*  AO3*     ga_8    
 AC2*  AC3*  AO3*     ga_8    
 AC3*  AO3*  AH3*     ga_11   
 NO5*  NC5*  NC4*     ga_8    
 NC5*  NC4*  NO4*     ga_8    
 NC5*  NC4*  NC3*     ga_7    
 NO4*  NC4*  NC3*     ga_8    
 NC4*  NO4*  NC1*     ga_9    
 NO4*  NC1*   NN1     ga_8    
 NO4*  NC1*  NC2*     ga_8    
  NN1  NC1*  NC2*     ga_7    
 NC1*   NN1   NC6     ga_26   
 NC1*   NN1   NC2     ga_26   
  NC6   NN1   NC2     ga_26   
  NN1   NC6   NC5     ga_26   
  NN1   NC2   NC3     ga_26   
  NC2   NC3   NC4     ga_26   
  NC2   NC3   NC7     ga_26   
  NC4   NC3   NC7     ga_26   
  NC3   NC4   NC5     ga_26   
  NC6   NC5   NC4     ga_26   
  NC3   NC7   NO7     ga_29   
  NC3   NC7   NN7     ga_18   
  NO7   NC7   NN7     ga_32   
  NC7   NN7  NH71     ga_22   
  NC7   NN7  NH72     ga_22   
 NH71   NN7  NH72     ga_23   
 NC1*  NC2*  NO2*     ga_8    
 NC1*  NC2*  NC3*     ga_7    
 NO2*  NC2*  NC3*     ga_8    
 NC2*  NO2*  NH2*     ga_11   
 NC4*  NC3*  NC2*     ga_7    
 NC4*  NC3*  NO3*     ga_8    
 NC2*  NC3*  NO3*     ga_8    
 NC3*  NO3*  NH3*     ga_11   
 [ impropers ]
;  ai    aj    ak    al   gromos type
 AC4*  AO4*  AC5*  AC3*     gi_2    
 AC3*  AC2*  AO3*  AC4*     gi_2    
 AC2*  AO2*  AC3*  AC1*     gi_2    
 AC1*   AN9  AO4*  AC2*     gi_2    
  AN9   AC8   AC4  AC1*     gi_1    
  AC4   AN9   AC8   AN7     gi_1    
  AC8   AN9   AC4   AC5     gi_1    
  AN9   AC8   AN7   AC5     gi_1    
  AN9   AC4   AC5   AN7     gi_1    
  AC8   AN7   AC5   AC4     gi_1    
  AC4   AN9   AN3   AC5     gi_1    
  AC5   AC6   AN7   AC4     gi_1    
  AN3   AC4   AC5   AC6     gi_1    
  AC4   AC5   AC6   AN1     gi_1    
  AC5   AC4   AN3   AC2     gi_1    
  AC5   AC6   AN1   AC2     gi_1    
  AC4   AN3   AC2   AN1     gi_1    
  AN3   AC2   AN1   AC6     gi_1    
  AC6   AC5   AN1   AN6     gi_1    
  AN6  AH61  AH62   AC6     gi_1    
 NC4*  NO4*  NC5*  NC3*     gi_2    
 NC3*  NC2*  NO3*  NC4*     gi_2    
 NC2*  NO2*  NC3*  NC1*     gi_2    
 NC1*   NN1  NO4*  NC2*     gi_2    
  NN1   NC6   NC2  NC1*     gi_1    
  NC2   NN1   NC6   NC5     gi_1    
  NC6   NN1   NC2   NC3     gi_1    
  NN1   NC6   NC5   NC4     gi_1    
  NN1   NC2   NC3   NC4     gi_1    
  NC6   NC5   NC4   NC3     gi_1    
  NC2   NC3   NC4   NC5     gi_1    
  NC3   NC4   NC2   NC7     gi_1    
  NC7   NO7   NN7   NC3     gi_1    
  NN7  NH71  NH72   NC7     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
 AO5*    AP   O3P    NP     gd_11   
 AO5*    AP   O3P    NP     gd_9    
  O3P    AP  AO5*  AC5*     gd_11   
  O3P    AP  AO5*  AC5*     gd_9    
   AP  AO5*  AC5*  AC4*     gd_14   
 AO5*  AC5*  AC4*  AC3*     gd_17   
 AO5*  AC5*  AC4*  AC3*     gd_7    
 AO5*  AC5*  AC4*  AO4*     gd_8    
 AC5*  AC4*  AC3*  AC2*     gd_17   
 AC5*  AC4*  AC3*  AO3*     gd_7    
 AO4*  AC4*  AC3*  AC2*     gd_7    
 AO4*  AC4*  AC3*  AO3*     gd_8    
 AC4*  AC3*  AC2*  AC1*     gd_17   
 AO3*  AC3*  AC2*  AC1*     gd_7    
 AC4*  AC3*  AC2*  AO2*     gd_7    
 AO3*  AC3*  AC2*  AO2*     gd_8    
 AC3*  AC2*  AC1*  AO4*     gd_17   
 AC3*  AC2*  AC1*  AO4*     gd_7    
 AO2*  AC2*  AC1*   AN9     gd_7    
 AO2*  AC2*  AC1*  AO4*     gd_8    
 AC3*  AC4*  AO4*  AC1*     gd_14   
 AC4*  AO4*  AC1*  AC2*     gd_14   
 AC1*  AC2*  AO2*  AP2*     gd_12   
 AC2*  AO2*  AP2*  AO8*     gd_11   
 AC2*  AO2*  AP2*  AO8*     gd_9    
 AO2*  AP2*  AO8*  AH8*     gd_11   
 AO2*  AP2*  AO8*  AH8*     gd_9    
 AC4*  AC3*  AO3*  AH3*     gd_12   
 AO4*  AC1*   AN9   AC4     gd_6    
  AC5   AC6   AN6  AH61     gd_4    
   AP   O3P    NP  NO5*     gd_11   
   AP   O3P    NP  NO5*     gd_9    
  O3P    NP  NO5*  NC5*     gd_11   
  O3P    NP  NO5*  NC5*     gd_9    
   NP  NO5*  NC5*  NC4*     gd_14   
 NO5*  NC5*  NC4*  NC3*     gd_17   
 NO5*  NC5*  NC4*  NC3*     gd_7    
 NO5*  NC5*  NC4*  NO4*     gd_8    
 NC5*  NC4*  NC3*  NC2*     gd_17   
 NC5*  NC4*  NC3*  NO3*     gd_7    
 NO4*  NC4*  NC3*  NC2*     gd_7    
 NO4*  NC4*  NC3*  NO3*     gd_8    
 NC4*  NC3*  NC2*  NC1*     gd_17   
 NO3*  NC3*  NC2*  NC1*     gd_7    
 NC4*  NC3*  NC2*  NO2*     gd_7    
 NO3*  NC3*  NC2*  NO2*     gd_8    
 NC3*  NC2*  NC1*  NO4*     gd_17   
 NC3*  NC2*  NC1*  NO4*     gd_7    
 NO2*  NC2*  NC1*   NN1     gd_7    
 NO2*  NC2*  NC1*  NO4*     gd_8    
 NC3*  NC4*  NO4*  NC1*     gd_14   
 NC4*  NO4*  NC1*  NC2*     gd_14   
 NC1*  NC2*  NO2*  NH2*     gd_12   
 NC4*  NC3*  NO3*  NH3*     gd_12   
 NO4*  NC1*   NN1   NC2     gd_6    
  NC2   NC3   NC7   NN7     gd_1    
  NC3   NC7   NN7  NH71     gd_4    

[ 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_23   
   AP  AO2P    gb_23   
   AP  AO5*    gb_27   
   AP   O3P    gb_27   
 AO5*  AC5*    gb_19   
  O3P    NP    gb_27   
   NP  NO1P    gb_23   
   NP  NO2P    gb_23   
   NP  NO5*    gb_27   
 NO5*  NC5*    gb_19   
 AC5*  AC4*    gb_25   
 AC4*  AO4*    gb_19   
 AC4*  AC3*    gb_25   
 AO4*  AC1*    gb_19   
 AC1*   AN9    gb_21   
 AC1*  AC2*    gb_25   
  AN9   AC4    gb_9    
  AN9   AC8    gb_9    
  AC4   AN3    gb_11   
  AC4   AC5    gb_15   
  AN3   AC2    gb_6    
  AC2   AN1    gb_6    
  AN1   AC6    gb_11   
  AC6   AN6    gb_8    
  AC6   AC5    gb_15   
  AN6  AH61    gb_2    
  AN6  AH62    gb_2    
  AC5   AN7    gb_9    
  AN7   AC8    gb_9    
 AC2*  AO2*    gb_19   
 AC2*  AC3*    gb_25   
 AO2*  AP2*    gb_27   
 AP2*  AO6*    gb_23   
 AP2*  AO7*    gb_23   
 AP2*  AO8*    gb_27   
 AO8*  AH8*    gb_1    
 AC3*  AO3*    gb_19   
 AO3*  AH3*    gb_1    
 NC5*  NC4*    gb_25   
 NC4*  NO4*    gb_19   
 NC4*  NC3*    gb_25   
 NO4*  NC1*    gb_19   
 NC1*   NN1    gb_22   
 NC1*  NC2*    gb_25   
  NN1   NC6    gb_16   
  NN1   NC2    gb_16   
  NC6   NC5    gb_15   
  NC2   NC3    gb_15   
  NC3   NC4    gb_15   
  NC3   NC7    gb_26   
  NC4   NC5    gb_15   
  NC7   NO7    gb_4    
  NC7   NN7    gb_8    
  NN7  NH71    gb_2    
  NN7  NH72    gb_2    
 NC2*  NO2*    gb_19   
 NC2*  NC3*    gb_25   
 NO2*  NH2*    gb_1    
 NC3*  NO3*    gb_19   
 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_28   
 AO1P    AP  AO5*     ga_13   
 AO1P    AP   O3P     ga_13   
 AO2P    AP  AO5*     ga_13   
 AO2P    AP   O3P     ga_13   
 AO5*    AP   O3P     ga_4    
   AP  AO5*  AC5*     ga_25   
   AP   O3P    NP     ga_25   
  O3P    NP  NO1P     ga_13   
  O3P    NP  NO2P     ga_13   
  O3P    NP  NO5*     ga_4    
 NO1P    NP  NO2P     ga_28   
 NO1P    NP  NO5*     ga_13   
 NO2P    NP  NO5*     ga_13   
   NP  NO5*  NC5*     ga_25   
 AO5*  AC5*  AC4*     ga_8    
 AC5*  AC4*  AO4*     ga_8    
 AC5*  AC4*  AC3*     ga_7    
 AO4*  AC4*  AC3*     ga_8    
 AC4*  AO4*  AC1*     ga_9    
 AO4*  AC1*   AN9     ga_8    
 AO4*  AC1*  AC2*     ga_8    
  AN9  AC1*  AC2*     ga_8    
 AC1*   AN9   AC4     ga_36   
 AC1*   AN9   AC8     ga_36   
  AC4   AN9   AC8     ga_6    
  AN9   AC4   AN3     ga_38   
  AN9   AC4   AC5     ga_6    
  AN3   AC4   AC5     ga_26   
  AC4   AN3   AC2     ga_26   
  AN3   AC2   AN1     ga_26   
  AC2   AN1   AC6     ga_26   
  AN1   AC6   AN6     ga_26   
  AN1   AC6   AC5     ga_26   
  AN6   AC6   AC5     ga_26   
  AC6   AN6  AH61     ga_22   
  AC6   AN6  AH62     ga_22   
 AH61   AN6  AH62     ga_23   
  AC4   AC5   AC6     ga_26   
  AC4   AC5   AN7     ga_6    
  AC6   AC5   AN7     ga_38   
  AC5   AN7   AC8     ga_6    
  AN9   AC8   AN7     ga_6    
 AC1*  AC2*  AO2*     ga_8    
 AC1*  AC2*  AC3*     ga_7    
 AO2*  AC2*  AC3*     ga_8    
 AC2*  AO2*  AP2*     ga_25   
 AO2*  AP2*  AO6*     ga_13   
 AO2*  AP2*  AO7*     ga_13   
 AO2*  AP2*  AO8*     ga_4    
 AO6*  AP2*  AO7*     ga_28   
 AO6*  AP2*  AO8*     ga_13   
 AO7*  AP2*  AO8*     ga_13   
 AP2*  AO8*  AH8*     ga_11   
 AC4*  AC3*  AC2*     ga_7    
 AC4*  AC3*  AO3*     ga_8    
 AC2*  AC3*  AO3*     ga_8    
 AC3*  AO3*  AH3*     ga_11   
 NO5*  NC5*  NC4*     ga_8    
 NC5*  NC4*  NO4*     ga_8    
 NC5*  NC4*  NC3*     ga_7    
 NO4*  NC4*  NC3*     ga_8    
 NC4*  NO4*  NC1*     ga_9    
 NO4*  NC1*   NN1     ga_8    
 NO4*  NC1*  NC2*     ga_8    
  NN1  NC1*  NC2*     ga_7    
 NC1*   NN1   NC6     ga_26   
 NC1*   NN1   NC2     ga_26   
  NC6   NN1   NC2     ga_26   
  NN1   NC6   NC5     ga_26   
  NN1   NC2   NC3     ga_26   
  NC2   NC3   NC4     ga_26   
  NC2   NC3   NC7     ga_26   
  NC4   NC3   NC7     ga_26   
  NC3   NC4   NC5     ga_26   
  NC6   NC5   NC4     ga_26   
  NC3   NC7   NO7     ga_29   
  NC3   NC7   NN7     ga_18   
  NO7   NC7   NN7     ga_32   
  NC7   NN7  NH71     ga_22   
  NC7   NN7  NH72     ga_22   
 NH71   NN7  NH72     ga_23   
 NC1*  NC2*  NO2*     ga_8    
 NC1*  NC2*  NC3*     ga_7    
 NO2*  NC2*  NC3*     ga_8    
 NC2*  NO2*  NH2*     ga_11   
 NC4*  NC3*  NC2*     ga_7    
 NC4*  NC3*  NO3*     ga_8    
 NC2*  NC3*  NO3*     ga_8    
 NC3*  NO3*  NH3*     ga_11   
 [ impropers ]
;  ai    aj    ak    al   gromos type
 AC4*  AO4*  AC5*  AC3*     gi_2    
 AC3*  AC2*  AO3*  AC4*     gi_2    
 AC2*  AO2*  AC3*  AC1*     gi_2    
 AC1*   AN9  AO4*  AC2*     gi_2    
  AN9   AC8   AC4  AC1*     gi_1    
  AC4   AN9   AC8   AN7     gi_1    
  AC8   AN9   AC4   AC5     gi_1    
  AN9   AC8   AN7   AC5     gi_1    
  AN9   AC4   AC5   AN7     gi_1    
  AC8   AN7   AC5   AC4     gi_1    
  AC4   AN9   AN3   AC5     gi_1    
  AC5   AC6   AN7   AC4     gi_1    
  AN3   AC4   AC5   AC6     gi_1    
  AC4   AC5   AC6   AN1     gi_1    
  AC5   AC4   AN3   AC2     gi_1    
  AC5   AC6   AN1   AC2     gi_1    
  AC4   AN3   AC2   AN1     gi_1    
  AN3   AC2   AN1   AC6     gi_1    
  AC6   AC5   AN1   AN6     gi_1    
  AN6  AH61  AH62   AC6     gi_1    
 NC4*  NO4*  NC5*  NC3*     gi_2    
 NC3*  NC2*  NO3*  NC4*     gi_2    
 NC2*  NO2*  NC3*  NC1*     gi_2    
 NC1*   NN1  NO4*  NC2*     gi_2    
  NN1   NC6   NC2  NC1*     gi_1    
  NC2   NN1   NC6   NC5     gi_1    
  NC6   NN1   NC2   NC3     gi_1    
  NN1   NC6   NC5   NC4     gi_1    
  NN1   NC2   NC3   NC4     gi_1    
  NC6   NC5   NC4   NC3     gi_1    
  NC2   NC3   NC4   NC5     gi_1    
  NC3   NC4   NC2   NC7     gi_1    
  NC7   NO7   NN7   NC3     gi_1    
  NN7  NH71  NH72   NC7     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
 AO5*    AP   O3P    NP     gd_11   
 AO5*    AP   O3P    NP     gd_9    
  O3P    AP  AO5*  AC5*     gd_11   
  O3P    AP  AO5*  AC5*     gd_9    
   AP  AO5*  AC5*  AC4*     gd_14   
 AO5*  AC5*  AC4*  AC3*     gd_17   
 AO5*  AC5*  AC4*  AC3*     gd_7    
 AO5*  AC5*  AC4*  AO4*     gd_8    
 AC5*  AC4*  AC3*  AC2*     gd_17   
 AC5*  AC4*  AC3*  AO3*     gd_7    
 AO4*  AC4*  AC3*  AC2*     gd_7    
 AO4*  AC4*  AC3*  AO3*     gd_8    
 AC4*  AC3*  AC2*  AC1*     gd_17   
 AO3*  AC3*  AC2*  AC1*     gd_7    
 AC4*  AC3*  AC2*  AO2*     gd_7    
 AO3*  AC3*  AC2*  AO2*     gd_8    
 AC3*  AC2*  AC1*  AO4*     gd_17   
 AC3*  AC2*  AC1*  AO4*     gd_7    
 AO2*  AC2*  AC1*   AN9     gd_7    
 AO2*  AC2*  AC1*  AO4*     gd_8    
 AC3*  AC4*  AO4*  AC1*     gd_14   
 AC4*  AO4*  AC1*  AC2*     gd_14   
 AC1*  AC2*  AO2*  AP2*     gd_12   
 AC2*  AO2*  AP2*  AO8*     gd_11   
 AC2*  AO2*  AP2*  AO8*     gd_9    
 AO2*  AP2*  AO8*  AH8*     gd_11   
 AO2*  AP2*  AO8*  AH8*     gd_9    
 AC4*  AC3*  AO3*  AH3*     gd_12   
 AO4*  AC1*   AN9   AC4     gd_6    
  AC5   AC6   AN6  AH61     gd_4    
   AP   O3P    NP  NO5*     gd_11   
   AP   O3P    NP  NO5*     gd_9    
  O3P    NP  NO5*  NC5*     gd_11   
  O3P    NP  NO5*  NC5*     gd_9    
   NP  NO5*  NC5*  NC4*     gd_14   
 NO5*  NC5*  NC4*  NC3*     gd_17   
 NO5*  NC5*  NC4*  NC3*     gd_7    
 NO5*  NC5*  NC4*  NO4*     gd_8    
 NC5*  NC4*  NC3*  NC2*     gd_17   
 NC5*  NC4*  NC3*  NO3*     gd_7    
 NO4*  NC4*  NC3*  NC2*     gd_7    
 NO4*  NC4*  NC3*  NO3*     gd_8    
 NC4*  NC3*  NC2*  NC1*     gd_17   
 NO3*  NC3*  NC2*  NC1*     gd_7    
 NC4*  NC3*  NC2*  NO2*     gd_7    
 NO3*  NC3*  NC2*  NO2*     gd_8    
 NC3*  NC2*  NC1*  NO4*     gd_17   
 NC3*  NC2*  NC1*  NO4*     gd_7    
 NO2*  NC2*  NC1*   NN1     gd_7    
 NO2*  NC2*  NC1*  NO4*     gd_8    
 NC3*  NC4*  NO4*  NC1*     gd_14   
 NC4*  NO4*  NC1*  NC2*     gd_14   
 NC1*  NC2*  NO2*  NH2*     gd_12   
 NC4*  NC3*  NO3*  NH3*     gd_12   
 NO4*  NC1*   NN1   NC2     gd_6    
  NC2   NC3   NC7   NN7     gd_1    
  NC3   NC7   NN7  NH71     gd_4    

[ 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_27   
 AO1P  AH1P    gb_1    
   AP  AO2P    gb_23   
   AP  AO5*    gb_27   
   AP   O3P    gb_27   
 AO5*  AC5*    gb_19   
  O3P    NP    gb_27   
   NP  NO1P    gb_27   
 NO1P  NH1P    gb_1    
   NP  NO2P    gb_23   
   NP  NO5*    gb_27   
 NO5*  NC5*    gb_19   
 AC5*  AC4*    gb_25   
 AC4*  AO4*    gb_19   
 AC4*  AC3*    gb_25   
 AO4*  AC1*    gb_19   
 AC1*   AN9    gb_21   
 AC1*  AC2*    gb_25   
  AN9   AC4    gb_9    
  AN9   AC8    gb_9    
  AC4   AN3    gb_11   
  AC4   AC5    gb_15   
  AN3   AC2    gb_6    
  AC2   AN1    gb_6    
  AN1   AC6    gb_11   
  AC6   AN6    gb_8    
  AC6   AC5    gb_15   
  AN6  AH61    gb_2    
  AN6  AH62    gb_2    
  AC5   AN7    gb_9    
  AN7   AC8    gb_9    
 AC2*  AO2*    gb_19   
 AC2*  AC3*    gb_25   
 AO2*  AP2*    gb_27   
 AP2*  AO6*    gb_23   
 AP2*  AO7*    gb_27   
 AP2*  AO8*    gb_27   
 AO7*  AH7*    gb_1    
 AO8*  AH8*    gb_1    
 AC3*  AO3*    gb_19   
 AO3*  AH3*    gb_1    
 NC5*  NC4*    gb_25   
 NC4*  NO4*    gb_19   
 NC4*  NC3*    gb_25   
 NO4*  NC1*    gb_19   
 NC1*   NN1    gb_22   
 NC1*  NC2*    gb_25   
  NN1   NC6    gb_16   
  NN1   NC2    gb_16   
  NC6   NC5    gb_15   
  NC2   NC3    gb_15   
  NC3   NC4    gb_14   
  NC3   NC7    gb_26   
  NC4   NC5    gb_14   
  NC7   NO7    gb_4    
  NC7   NN7    gb_8    
  NN7  NH71    gb_2    
  NN7  NH72    gb_2    
 NC2*  NO2*    gb_19   
 NC2*  NC3*    gb_25   
 NO2*  NH2*    gb_1    
 NC3*  NO3*    gb_19   
 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
   AP  AO1P  AH1P     ga_11   
 AO1P    AP  AO2P     ga_13   
 AO1P    AP  AO5*     ga_13   
 AO1P    AP   O3P     ga_13   
 AO2P    AP  AO5*     ga_13   
 AO2P    AP   O3P     ga_13   
 AO5*    AP   O3P     ga_13   
   AP  AO5*  AC5*     ga_25   
   AP   O3P    NP     ga_25   
  O3P    NP  NO1P     ga_13   
  O3P    NP  NO2P     ga_13   
  O3P    NP  NO5*     ga_13   
 NO1P    NP  NO2P     ga_13   
 NO1P    NP  NO5*     ga_13   
 NO2P    NP  NO5*     ga_13   
   NP  NO1P  NH1P     ga_11   
   NP  NO5*  NC5*     ga_25   
 AO5*  AC5*  AC4*     ga_8    
 AC5*  AC4*  AO4*     ga_8    
 AC5*  AC4*  AC3*     ga_7    
 AO4*  AC4*  AC3*     ga_8    
 AC4*  AO4*  AC1*     ga_9    
 AO4*  AC1*   AN9     ga_8    
 AO4*  AC1*  AC2*     ga_8    
  AN9  AC1*  AC2*     ga_8    
 AC1*   AN9   AC4     ga_36   
 AC1*   AN9   AC8     ga_36   
  AC4   AN9   AC8     ga_6    
  AN9   AC4   AN3     ga_38   
  AN9   AC4   AC5     ga_6    
  AC5   AC4   AN3     ga_26   
  AC4   AN3   AC2     ga_26   
  AN3   AC2   AN1     ga_26   
  AC2   AN1   AC6     ga_26   
  AN1   AC6   AN6     ga_26   
  AN1   AC6   AC5     ga_26   
  AN6   AC6   AC5     ga_26   
  AC6   AN6  AH61     ga_22   
  AC6   AN6  AH62     ga_22   
 AH61   AN6  AH62     ga_23   
  AC4   AC5   AC6     ga_26   
  AC4   AC5   AN7     ga_6    
  AC6   AC5   AN7     ga_38   
  AC5   AN7   AC8     ga_6    
  AN9   AC8   AN7     ga_6    
 AC1*  AC2*  AO2*     ga_8    
 AC1*  AC2*  AC3*     ga_7    
 AO2*  AC2*  AC3*     ga_8    
 AC2*  AO2*  AP2*     ga_25   
 AO2*  AP2*  AO6*     ga_13   
 AO2*  AP2*  AO7*     ga_13   
 AO2*  AP2*  AO8*     ga_13   
 AO6*  AP2*  AO7*     ga_13   
 AO6*  AP2*  AO8*     ga_13   
 AO7*  AP2*  AO8*     ga_13   
 AP2*  AO7*  AH7*     ga_11   
 AP2*  AO8*  AH8*     ga_11   
 AC4*  AC3*  AC2*     ga_7    
 AC4*  AC3*  AO3*     ga_8    
 AC2*  AC3*  AO3*     ga_8    
 AC3*  AO3*  AH3*     ga_11   
 NO5*  NC5*  NC4*     ga_8    
 NC5*  NC4*  NO4*     ga_8    
 NC5*  NC4*  NC3*     ga_7    
 NO4*  NC4*  NC3*     ga_8    
 NC4*  NO4*  NC1*     ga_9    
 NO4*  NC1*   NN1     ga_8    
 NO4*  NC1*  NC2*     ga_8    
  NN1  NC1*  NC2*     ga_7    
 NC1*   NN1   NC6     ga_26   
 NC1*   NN1   NC2     ga_26   
  NC6   NN1   NC2     ga_26   
  NN1   NC6   NC5     ga_26   
  NN1   NC2   NC3     ga_26   
  NC2   NC3   NC4     ga_26   
  NC2   NC3   NC7     ga_26   
  NC4   NC3   NC7     ga_26   
  NC3   NC4   NC5     ga_26   
  NC6   NC5   NC4     ga_26   
  NC3   NC7   NO7     ga_29   
  NC3   NC7   NN7     ga_18   
  NO7   NC7   NN7     ga_32   
  NC7   NN7  NH71     ga_22   
  NC7   NN7  NH72     ga_22   
 NH71   NN7  NH72     ga_23   
 NC1*  NC2*  NO2*     ga_8    
 NC1*  NC2*  NC3*     ga_7    
 NO2*  NC2*  NC3*     ga_8    
 NC2*  NO2*  NH2*     ga_11   
 NC4*  NC3*  NC2*     ga_7    
 NC4*  NC3*  NO3*     ga_8    
 NC2*  NC3*  NO3*     ga_8    
 NC3*  NO3*  NH3*     ga_11   
 [ impropers ]
;  ai    aj    ak    al   gromos type
 AC4*  AO4*  AC5*  AC3*     gi_2    
 AC3*  AC2*  AO3*  AC4*     gi_2    
 AC2*  AO2*  AC3*  AC1*     gi_2    
 AC1*   AN9  AO4*  AC2*     gi_2    
  AN9   AC8   AC4  AC1*     gi_1    
  AC4   AN9   AC8   AN7     gi_1    
  AC8   AN9   AC4   AC5     gi_1    
  AN9   AC8   AN7   AC5     gi_1    
  AN9   AC4   AC5   AN7     gi_1    
  AC8   AN7   AC5   AC4     gi_1    
  AC4   AN9   AN3   AC5     gi_1    
  AC5   AC6   AN7   AC4     gi_1    
  AN3   AC4   AC5   AC6     gi_1
  AC4   AC5   AC6   AN1     gi_1    
  AC5   AC4   AN3   AC2     gi_1    
  AC5   AC6   AN1   AC2     gi_1    
  AC4   AN3   AC2   AN1     gi_1    
  AN3   AC2   AN1   AC6     gi_1    
  AC6   AC5   AN1   AN6     gi_1    
  AN6  AH61  AH62   AC6     gi_1    
 NC4*  NO4*  NC5*  NC3*     gi_2    
 NC3*  NC2*  NO3*  NC4*     gi_2    
 NC2*  NO2*  NC3*  NC1*     gi_2    
 NC1*   NN1  NO4*  NC2*     gi_2    
  NN1   NC6   NC2  NC1*     gi_1    
  NC2   NN1   NC6   NC5     gi_1    
  NC6   NN1   NC2   NC3     gi_1    
  NN1   NC6   NC5   NC4     gi_1    
  NN1   NC2   NC3   NC4     gi_1    
  NC6   NC5   NC4   NC3     gi_1    
  NC2   NC3   NC4   NC5     gi_1    
  NC3   NC4   NC2   NC7     gi_1    
  NC7   NO7   NN7   NC3     gi_1    
  NN7  NH71  NH72   NC7     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
 AO5*    AP  AO1P  AH1P     gd_11   
 AO5*    AP  AO1P  AH1P     gd_9    
 AO5*    AP   O3P    NP     gd_11   
 AO5*    AP   O3P    NP     gd_9    
  O3P    AP  AO5*  AC5*     gd_11   
  O3P    AP  AO5*  AC5*     gd_9    
   AP  AO5*  AC5*  AC4*     gd_14   
 AO5*  AC5*  AC4*  AC3*     gd_17   
 AO5*  AC5*  AC4*  AC3*     gd_7    
 AO5*  AC5*  AC4*  AO4*     gd_8    
 AC5*  AC4*  AC3*  AC2*     gd_17   
 AC5*  AC4*  AC3*  AO3*     gd_7    
 AO4*  AC4*  AC3*  AC2*     gd_7    
 AO4*  AC4*  AC3*  AO3*     gd_8    
 AC4*  AC3*  AC2*  AC1*     gd_17   
 AO3*  AC3*  AC2*  AC1*     gd_7    
 AC4*  AC3*  AC2*  AO2*     gd_7    
 AO3*  AC3*  AC2*  AO2*     gd_8    
 AC3*  AC2*  AC1*  AO4*     gd_17   
 AC3*  AC2*  AC1*  AO4*     gd_7    
 AO2*  AC2*  AC1*   AN9     gd_7    
 AO2*  AC2*  AC1*  AO4*     gd_8    
 AC3*  AC4*  AO4*  AC1*     gd_14   
 AC4*  AO4*  AC1*  AC2*     gd_14   
 AC1*  AC2*  AO2*  AP2*     gd_12   
 AC2*  AO2*  AP2*  AO8*     gd_11   
 AC2*  AO2*  AP2*  AO8*     gd_9    
 AO2*  AP2*  AO8*  AH8*     gd_11   
 AO2*  AP2*  AO8*  AH8*     gd_9    
 AO2*  AP2*  AO7*  AH7*     gd_11   
 AO2*  AP2*  AO7*  AH7*     gd_9    
 AC4*  AC3*  AO3*  AH3*     gd_12   
 AO4*  AC1*   AN9   AC4     gd_6    
  AC5   AC6   AN6  AH61     gd_4    
   AP   O3P    NP  NO5*     gd_11   
   AP   O3P    NP  NO5*     gd_9    
  O3P    NP  NO5*  NC5*     gd_11   
  O3P    NP  NO5*  NC5*     gd_9    
 NO5*    NP  NO1P  NH1P     gd_11   
 NO5*    NP  NO1P  NH1P     gd_9    
   NP  NO5*  NC5*  NC4*     gd_14   
 NO5*  NC5*  NC4*  NC3*     gd_17   
 NO5*  NC5*  NC4*  NC3*     gd_7    
 NO5*  NC5*  NC4*  NO4*     gd_8    
 NC5*  NC4*  NC3*  NC2*     gd_17   
 NC5*  NC4*  NC3*  NO3*     gd_7    
 NO4*  NC4*  NC3*  NC2*     gd_7    
 NO4*  NC4*  NC3*  NO3*     gd_8    
 NC4*  NC3*  NC2*  NC1*     gd_17   
 NO3*  NC3*  NC2*  NC1*     gd_7    
 NC4*  NC3*  NC2*  NO2*     gd_7    
 NO3*  NC3*  NC2*  NO2*     gd_8    
 NC3*  NC2*  NC1*  NO4*     gd_17   
 NC3*  NC2*  NC1*  NO4*     gd_7    
 NO2*  NC2*  NC1*   NN1     gd_7    
 NO2*  NC2*  NC1*  NO4*     gd_8    
 NC3*  NC4*  NO4*  NC1*     gd_14   
 NC4*  NO4*  NC1*  NC2*     gd_14   
 NC1*  NC2*  NO2*  NH2*     gd_12   
 NC4*  NC3*  NO3*  NH3*     gd_12
 NO4*  NC1*   NN1   NC2     gd_6
  NC2   NC3   NC7   NN7     gd_1    
  NC3   NC7   NN7  NH71     gd_4    

[ GLCA ]
 [ atoms ]
   C1   CH1     0.40000     0
   O5    OA    -0.36000     0
   C5   CH1     0.16000     0
   C6   CH2     0.15000     1
   O6    OA    -0.54800     1
   H6     H     0.39800     1
   C2   CH1     0.15000     2
   O2    OA    -0.54800     2
   H2     H     0.39800     2
   C3   CH1     0.15000     3
   O3    OA    -0.54800     3
   H3     H     0.39800     3
   C4   CH1       0.160     4
   O4    OA      -0.360     4
 [ bonds ]
   C1    O5    gb_19   
   C1    C2    gb_25   
   O5    C5    gb_19   
   C5    C6    gb_25   
   C5    C4    gb_25   
   C6    O6    gb_19   
   O6    H6    gb_1    
   C2    O2    gb_19   
   C2    C3    gb_25   
   O2    H2    gb_1    
   C3    O3    gb_19   
   C3    C4    gb_25   
   O3    H3    gb_1    
   C4    O4    gb_19   
   O4    +N    gb_19   
 [ angles ]
;  ai    aj    ak   gromos type
   -O    C1    O5     ga_8    
   -O    C1    C2     ga_8    
   O5    C1    C2     ga_8    
   C1    O5    C5     ga_9    
   O5    C5    C6     ga_8    
   O5    C5    C4     ga_8    
   C6    C5    C4     ga_7    
   C5    C6    O6     ga_8    
   C6    O6    H6     ga_11   
   C1    C2    O2     ga_8    
   C1    C2    C3     ga_7
   O2    C2    C3     ga_8    
   C2    O2    H2     ga_11   
   C2    C3    O3     ga_8    
   C2    C3    C4     ga_7    
   O3    C3    C4     ga_8    
   C3    O3    H3     ga_11   
   C5    C4    C3     ga_7    
   C5    C4    O4     ga_8    
   C3    C4    O4     ga_8    
   C4    O4    +N     ga_9    
 [ impropers ]
;  ai    aj    ak    al   gromos type
   C1    O5    -O    C2     gi_2    
   C5    O5    C6    C4     gi_2    
   C2    O2    C3    C1     gi_2    
   C3    O3    C2    C4     gi_2    
   C4    C3    O4    C5     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
   -C    -O    C1    C2     gd_14   
   -O    C1    C2    C3     gd_17   
   -O    C1    C2    C3     gd_7    
   O5    C1    C2    C3     gd_7    
   O5    C1    C2    O2     gd_8    
   -O    C1    C2    O2     gd_8    
   C1    C2    O2    H2     gd_12   
   C1    C2    C3    C4     gd_17   
   C1    C2    C3    O3     gd_7    
   O2    C2    C3    C4     gd_7    
   O2    C2    C3    O3     gd_8    
   C2    C3    O3    H3     gd_12   
   C2    C3    C4    C5     gd_17   
   C2    C3    C4    O4     gd_7    
   O3    C3    C4    C5     gd_7    
   O3    C3    C4    O4     gd_8    
   C2    C1    O5    C5     gd_14   
   C1    O5    C5    C4     gd_14   
   C4    C5    C6    O6     gd_17   
   C4    C5    C6    O6     gd_7    
   O5    C5    C6    O6     gd_8    
   C5    C6    O6    H6     gd_12   
   C6    C5    C4    C3     gd_17   
   O5    C5    C4    C3     gd_7    
   C6    C5    C4    O4     gd_7    
   O5    C5    C4    O4     gd_8    
   C3    C4    O4    +N     gd_14   

[ GLCB ]
 [ atoms ]
   C1   CH1     0.40000     0
   O5    OA    -0.36000     0
   C5   CH1     0.16000     0
   C6   CH2     0.15000     1
   O6    OA    -0.54800     1
   H6     H     0.39800     1
   C3   CH1     0.15000     2
   O3    OA    -0.54800     2
   H3     H     0.39800     2
   C4   CH1     0.15000     3
   O4    OA    -0.54800     3
   H4     H     0.39800     3
   C2   CH1       0.160     4
   O2    OA      -0.360     4
 [ bonds ]
   C1    O5    gb_19   
   C1    C2    gb_25   
   O5    C5    gb_19   
   C5    C6    gb_25   
   C5    C4    gb_25   
   C6    O6    gb_19   
   O6    H6    gb_1    
   C3    O3    gb_19   
   C3    C4    gb_25   
   C3    C2    gb_25   
   O3    H3    gb_1    
   C4    O4    gb_19   
   O4    H4    gb_1    
   C2    O2    gb_19   
   O2    +N    gb_19   
 [ angles ]
;  ai    aj    ak   gromos type
   -O    C1    O5     ga_8    
   -O    C1    C2     ga_8    
   O5    C1    C2     ga_8    
   C1    O5    C5     ga_9    
   O5    C5    C6     ga_8    
   O5    C5    C4     ga_8    
   C6    C5    C4     ga_7    
   C5    C6    O6     ga_8    
   C6    O6    H6     ga_11   
   C4    C3    O3     ga_8    
   C4    C3    C2     ga_7    
   O3    C3    C2     ga_8    
   C3    O3    H3     ga_11   
   C5    C4    O4     ga_8    
   C5    C4    C3     ga_7    
   C3    C4    O4     ga_8    
   C4    O4    H4     ga_11   
   C1    C2    C3     ga_7    
   C1    C2    O2     ga_8    
   C3    C2    O2     ga_8    
   C2    O2    +N     ga_9    
 [ impropers ]
;  ai    aj    ak    al   gromos type
   C1    -O    O5    C2     gi_2    
   C5    O5    C6    C4     gi_2    
   C3    O3    C2    C4     gi_2    
   C4    C3    O4    C5     gi_2    
   C2    O2    C3    C1     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
   -C    -O    C1    C2     gd_14   
   -O    C1    C2    C3     gd_17   
   -O    C1    C2    C3     gd_7    
   O5    C1    C2    C3     gd_7    
   O5    C1    C2    O2     gd_8    
   -O    C1    C2    O2     gd_8    
   C1    C2    C3    C4     gd_17   
   C1    C2    C3    O3     gd_7    
   O2    C2    C3    C4     gd_7    
   O2    C2    C3    O3     gd_8    
   C2    C3    O3    H3     gd_12   
   C2    C3    C4    C5     gd_17   
   C2    C3    C4    O4     gd_7    
   O3    C3    C4    C5     gd_7    
   O3    C3    C4    O4     gd_8    
   C3    C4    O4    H4     gd_12   
   C2    C1    O5    C5     gd_14   
   C1    O5    C5    C4     gd_14   
   C4    C5    C6    O6     gd_17   
   C4    C5    C6    O6     gd_7    
   O5    C5    C6    O6     gd_8    
   C5    C6    O6    H6     gd_12   
   C6    C5    C4    C3     gd_17   
   O5    C5    C4    C3     gd_7    
   C6    C5    C4    O4     gd_7    
   O5    C5    C4    O4     gd_8    
   C1    C2    O2    +N     gd_14   

[ GALB ]
 [ atoms ]
   C1   CH1     0.40000     0
   O5    OA    -0.36000     0
   C5   CH1     0.16000     0
   C6   CH2     0.15000     1
   O6    OA    -0.54800     1
   H6     H     0.39800     1
   C2   CH1     0.15000     2
   O2    OA    -0.54800     2
   H2     H     0.39800     2
   C4   CH1     0.15000     3
   O4    OA    -0.54800     3
   H4     H     0.39800     3
   C3   CH1       0.160     4
   O3    OA      -0.360     4
 [ bonds ]
   C1    O5    gb_19   
   C1    C2    gb_25   
   O5    C5    gb_19   
   C5    C6    gb_25   
   C5    C4    gb_25   
   C6    O6    gb_19   
   O6    H6    gb_1    
   C2    O2    gb_19   
   C2    C3    gb_25   
   O2    H2    gb_1    
   C4    O4    gb_19   
   C4    C3    gb_25   
   O4    H4    gb_1    
   C3    O3    gb_19   
   O3    +N    gb_19   
 [ angles ]
;  ai    aj    ak   gromos type
   -O    C1    O5     ga_8    
   -O    C1    C2     ga_8    
   O5    C1    C2     ga_8    
   C1    O5    C5     ga_9    
   O5    C5    C6     ga_8    
   O5    C5    C4     ga_8    
   C6    C5    C4     ga_7    
   C5    C6    O6     ga_8    
   C6    O6    H6     ga_11   
   C1    C2    O2     ga_8    
   C1    C2    C3     ga_7    
   O2    C2    C3     ga_8    
   C2    O2    H2     ga_11
   C5    C4    O4     ga_8    
   C5    C4    C3     ga_7    
   O4    C4    C3     ga_8    
   C4    O4    H4     ga_11   
   C2    C3    C4     ga_7    
   C2    C3    O3     ga_8    
   C4    C3    O3     ga_8    
   C3    O3    +N     ga_9    
 [ impropers ]
;  ai    aj    ak    al   gromos type
   C1    -O    O5    C2     gi_2    
   C5    O5    C6    C4     gi_2    
   C2    O2    C3    C1     gi_2    
   C4    O4    C3    C5     gi_2    
   C3    O3    C2    C4     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
   -C    -O    C1    C2     gd_14   
   -O    C1    C2    C3     gd_17   
   -O    C1    C2    C3     gd_7    
   O5    C1    C2    C3     gd_7    
   O5    C1    C2    O2     gd_8    
   -O    C1    C2    O2     gd_8    
   C1    C2    O2    H2     gd_12   
   C1    C2    C3    C4     gd_17   
   C1    C2    C3    O3     gd_7    
   O2    C2    C3    C4     gd_7    
   O2    C2    C3    O3     gd_8    
   C2    C3    C4    C5     gd_17   
   C2    C3    C4    O4     gd_7    
   O3    C3    C4    C5     gd_7    
   O3    C3    C4    O4     gd_8    
   C3    C4    O4    H4     gd_12   
   C2    C1    O5    C5     gd_14   
   C1    O5    C5    C4     gd_14   
   C4    C5    C6    O6     gd_17   
   C4    C5    C6    O6     gd_7    
   O5    C5    C6    O6     gd_8    
   C5    C6    O6    H6     gd_12   
   C6    C5    C4    C3     gd_17   
   O5    C5    C4    C3     gd_7    
   C6    C5    C4    O4     gd_7    
   O5    C5    C4    O4     gd_8    
   C2    C3    O3    +N     gd_14   

[ 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_34   
   FE    NB    gb_34   
   FE    NC    gb_34   
   FE    ND    gb_34   
   NA   C1A    gb_13   
   NA   C4A    gb_13   
   NB   C1B    gb_13   
   NB   C4B    gb_13   
   NC   C1C    gb_13   
   NC   C4C    gb_13   
   ND   C1D    gb_13   
   ND   C4D    gb_13   
  CHA   HHA    gb_3    
  CHA   C1A    gb_16   
  CHA   C4D    gb_16   
  C1A   C2A    gb_16   
  C2A   C3A    gb_16   
  C2A   CAA    gb_26   
  C3A   C4A    gb_16   
  C3A   CMA    gb_26   
  C4A   CHB    gb_16   
  CAA   CBA    gb_26   
  CBA   CGA    gb_26   
  CGA   O1A    gb_5    
  CGA   O2A    gb_5    
  CHB   HHB    gb_3    
  CHB   C1B    gb_16   
  C1B   C2B    gb_16   
  C2B   C3B    gb_16   
  C2B   CMB    gb_26   
  C3B   C4B    gb_16   
  C3B   CAB    gb_26   
  C4B   CHC    gb_16   
  CAB   CBB    gb_11   
  CHC   HHC    gb_3    
  CHC   C1C    gb_16   
  C1C   C2C    gb_16   
  C2C   C3C    gb_16   
  C2C   CMC    gb_26   
  C3C   C4C    gb_16   
  C3C   CAC    gb_26   
  C4C   CHD    gb_16   
  CAC   CBC    gb_11   
  CHD   HHD    gb_3    
  CHD   C1D    gb_16   
  C1D   C2D    gb_16   
  C2D   C3D    gb_16   
  C2D   CMD    gb_26   
  C3D   C4D    gb_16   
  C3D   CAD    gb_26   
  CAD   CBD    gb_26   
  CBD   CGD    gb_26   
  CGD   O1D    gb_5    
  CGD   O2D    gb_5    
 [ 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_1    
   NB    FE    NC     ga_1    
   NC    FE    ND     ga_1    
   NA    FE    ND     ga_1    
   FE    NA   C1A     ga_35   
   FE    NA   C4A     ga_35   
  C1A    NA   C4A     ga_5    
   FE    NB   C1B     ga_35   
   FE    NB   C4B     ga_35   
  C1B    NB   C4B     ga_5    
   FE    NC   C1C     ga_35   
   FE    NC   C4C     ga_35   
  C1C    NC   C4C     ga_5    
   FE    ND   C1D     ga_35   
   FE    ND   C4D     ga_35   
  C1D    ND   C4D     ga_5    
  C1A   CHA   HHA     ga_19   
  C1A   CHA   C4D     ga_36   
  HHA   CHA   C4D     ga_19   
   NA   C1A   CHA     ga_32   
   NA   C1A   C2A     ga_14   
  CHA   C1A   C2A     ga_37   
  C1A   C2A   C3A     ga_6    
  C1A   C2A   CAA     ga_36   
  C3A   C2A   CAA     ga_36   
  C2A   C3A   C4A     ga_6    
  C2A   C3A   CMA     ga_36   
  C4A   C3A   CMA     ga_36   
   NA   C4A   C3A     ga_14   
   NA   C4A   CHB     ga_32   
  C3A   C4A   CHB     ga_37   
  C2A   CAA   CBA     ga_14   
  CAA   CBA   CGA     ga_14   
  CBA   CGA   O1A     ga_21   
  CBA   CGA   O2A     ga_21   
  O1A   CGA   O2A     ga_37   
  C4A   CHB   HHB     ga_19   
  C4A   CHB   C1B     ga_36   
  HHB   CHB   C1B     ga_19   
   NB   C1B   CHB     ga_32   
   NB   C1B   C2B     ga_14   
  CHB   C1B   C2B     ga_37   
  C1B   C2B   C3B     ga_6    
  C1B   C2B   CMB     ga_36   
  C3B   C2B   CMB     ga_36   
  C2B   C3B   C4B     ga_6    
  C2B   C3B   CAB     ga_36   
  C4B   C3B   CAB     ga_36   
   NB   C4B   C3B     ga_14   
   NB   C4B   CHC     ga_32   
  C3B   C4B   CHC     ga_37   
  C3B   CAB   CBB     ga_36   
  C4B   CHC   HHC     ga_19   
  C4B   CHC   C1C     ga_36   
  HHC   CHC   C1C     ga_19   
   NC   C1C   CHC     ga_32   
   NC   C1C   C2C     ga_14   
  CHC   C1C   C2C     ga_37   
  C1C   C2C   C3C     ga_6    
  C1C   C2C   CMC     ga_36   
  C3C   C2C   CMC     ga_36   
  C2C   C3C   C4C     ga_6    
  C2C   C3C   CAC     ga_36   
  C4C   C3C   CAC     ga_36   
   NC   C4C   C3C     ga_14   
   NC   C4C   CHD     ga_32   
  C3C   C4C   CHD     ga_37   
  C3C   CAC   CBC     ga_36   
  C4C   CHD   HHD     ga_19   
  C4C   CHD   C1D     ga_36   
  HHD   CHD   C1D     ga_19   
   ND   C1D   CHD     ga_32   
   ND   C1D   C2D     ga_14   
  CHD   C1D   C2D     ga_37   
  C1D   C2D   C3D     ga_6    
  C1D   C2D   CMD     ga_36   
  C3D   C2D   CMD     ga_36   
  C2D   C3D   C4D     ga_6    
  C2D   C3D   CAD     ga_36   
  C4D   C3D   CAD     ga_36   
   ND   C4D   CHA     ga_32   
   ND   C4D   C3D     ga_14   
  CHA   C4D   C3D     ga_37   
  C3D   CAD   CBD     ga_14   
  CAD   CBD   CGD     ga_14   
  CBD   CGD   O1D     ga_21   
  CBD   CGD   O2D     ga_21   
  O1D   CGD   O2D     ga_37   
 [ 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    
  CHA    NA   C2A   C1A     gi_1    
  CHB    NA   C3A   C4A     gi_1    
  CHB    NB   C2B   C1B     gi_1    
  CHC    NB   C3B   C4B     gi_1    
  CHC    NC   C2C   C1C     gi_1    
  CHD    NC   C3C   C4C     gi_1    
  CHD    ND   C2D   C1D     gi_1    
  CHA    ND   C3D   C4D     gi_1    
  C2A   C1A   C3A   CAA     gi_1    
  C3A   C2A   C4A   CMA     gi_1    
  C2B   C1B   C3B   CMB     gi_1    
  C3B   C2B   C4B   CAB     gi_1    
  C2C   C1C   C3C   CMC     gi_1    
  C3C   C2C   C4C   CAC     gi_1    
  C2D   C1D   C3D   CMD     gi_1    
  C3D   C2D   C4D   CAD     gi_1    
  CBA   O1A   O2A   CGA     gi_1    
  CBD   O1D   O2D   CGD     gi_1    
  CHA   C4D   C1A   HHA     gi_1    
  CHB   C4A   C1B   HHB     gi_1    
  CHC   C4B   C1C   HHC     gi_1    
  CHD   C4C   C1D   HHD     gi_1    
   NA   C1A   C2A   C3A     gi_1    
  C1A   C2A   C3A   C4A     gi_1    
  C2A   C3A   C4A    NA     gi_1    
  C1A    NA   C4A   C3A     gi_1    
  C2A   C1A    NA   C4A     gi_1    
   NB   C1B   C2B   C3B     gi_1    
  C1B   C2B   C3B   C4B     gi_1    
   NB   C4B   C3B   C2B     gi_1    
  C4B    NB   C1B   C2B     gi_1    
  C1B    NB   C4B   C3B     gi_1    
   NC   C1C   C2C   C3C     gi_1    
  C1C   C2C   C3C   C4C     gi_1    
   NC   C4C   C3C   C2C     gi_1    
  C4C    NC   C1C   C2C     gi_1    
  C1C    NC   C4C   C3C     gi_1    
   ND   C1D   C2D   C3D     gi_1    
  C1D   C2D   C3D   C4D     gi_1    
   ND   C4D   C3D   C2D     gi_1    
  C4D    ND   C1D   C2D     gi_1    
  C1D    ND   C4D   C3D     gi_1    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
   NA   C4A   CHB   C1B     gd_5    
  C4A   CHB   C1B    NB     gd_5    
   NB   C4B   CHC   C1C     gd_5    
  C4B   CHC   C1C    NC     gd_5    
   NC   C4C   CHD   C1D     gd_5    
  C4C   CHD   C1D    ND     gd_5    
   ND   C4D   CHA   C1A     gd_5    
  C4D   CHA   C1A    NA     gd_5    
  C1A   C2A   CAA   CBA     gd_20   
  C2A   CAA   CBA   CGA     gd_17   
  CAA   CBA   CGA   O1A     gd_20   
  C2B   C3B   CAB   CBB     gd_3    
  C2C   C3C   CAC   CBC     gd_3    
  C2D   C3D   CAD   CBD     gd_20   
  C3D   CAD   CBD   CGD     gd_17   
  CAD   CBD   CGD   O1D     gd_20   
  ND    FE    NA   C1A       0       0       4
  NA    FE    NB   C1B       0       0       4
  NB    FE    NC   C1C       0       0       4
  NC    FE    ND   C1D       0       0       4
[ CYT* ]
 [ 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*   CH2     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_19   
  C4*   C3*    gb_25   
  C4*   C5*    gb_25   
  O4*   C1*    gb_19   
  C1*    N1    gb_22   
  C1*   C2*    gb_25   
   N1    C6    gb_16   
   N1    C2    gb_16   
   C6    C5    gb_15   
   C2    O2    gb_4    
   C2    N3    gb_11   
   N3    C4    gb_11   
   C4    N4    gb_8    
   C4    C5    gb_15   
   N4   H41    gb_2    
   N4   H42    gb_2    
  C2*   O2*    gb_19   
  C2*   C3*    gb_25   
  O2*   H2*    gb_1    
  C3*   O3*    gb_19   
  O3*   SI1    gb_28   
  SI1   OSI    gb_28   
  SI1   C11    gb_31   
  SI1   C12    gb_31   
  OSI   SI2    gb_28   
  SI2   O5*    gb_28   
  SI2   C21    gb_31   
  SI2   C22    gb_31   
  O5*   C5*    gb_19   
  C11  C111    gb_26   
  C11  C112    gb_26   
  C12  C121    gb_26   
  C12  C122    gb_26   
  C21  C211    gb_26   
  C21  C212    gb_26   
  C22  C221    gb_26   
  C22  C222    gb_26   
 [ 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_8    
  O4*   C4*   C5*     ga_8    
  C3*   C4*   C5*     ga_7    
  C4*   O4*   C1*     ga_9    
  O4*   C1*    N1     ga_8    
  O4*   C1*   C2*     ga_8    
   N1   C1*   C2*     ga_7    
  C1*    N1    C6     ga_26   
  C1*    N1    C2     ga_26   
   C6    N1    C2     ga_26   
   N1    C6    C5     ga_26   
   N1    C2    O2     ga_26   
   N1    C2    N3     ga_26   
   O2    C2    N3     ga_26   
   C2    N3    C4     ga_26   
   N3    C4    N4     ga_26   
   N3    C4    C5     ga_26   
   N4    C4    C5     ga_26   
   C4    N4   H41     ga_22   
   C4    N4   H42     ga_22   
  H41    N4   H42     ga_23   
   C6    C5    C4     ga_26   
  C1*   C2*   O2*     ga_8    
  C1*   C2*   C3*     ga_7    
  O2*   C2*   C3*     ga_8    
  C2*   O2*   H2*     ga_11   
  C4*   C3*   C2*     ga_7    
  C4*   C3*   O3*     ga_8    
  C2*   C3*   O3*     ga_8    
  C3*   O3*   SI1     ga_25   
  O3*   SI1   OSI     ga_11   
  O3*   SI1   C11     ga_11   
  O3*   SI1   C12     ga_11   
  OSI   SI1   C11     ga_11   
  OSI   SI1   C12     ga_11   
  C11   SI1   C12     ga_11   
  SI1   OSI   SI2     ga_39   
  OSI   SI2   O5*     ga_11   
  OSI   SI2   C21     ga_11   
  OSI   SI2   C22     ga_11   
  O5*   SI2   C21     ga_11   
  O5*   SI2   C22     ga_11   
  C21   SI2   C22     ga_11   
  SI2   O5*   C5*     ga_25   
  C4*   C5*   O5*     ga_8    
  SI1   C11  C111     ga_12   
  SI1   C11  C112     ga_12   
 C111   C11  C112     ga_14   
  SI1   C12  C121     ga_12   
  SI1   C12  C122     ga_12   
 C121   C12  C122     ga_14   
  SI2   C21  C211     ga_12   
  SI2   C21  C212     ga_12   
 C211   C21  C212     ga_14
  SI2   C22  C221     ga_12   
  SI2   C22  C222     ga_12   
 C221   C22  C222     ga_14   
 [ impropers ]
;  ai    aj    ak    al   gromos type
  C4*   O4*   C5*   C3*     gi_2    
  C3*   C2*   O3*   C4*     gi_2    
  C2*   O2*   C3*   C1*     gi_2    
  C1*    N1   O4*   C2*     gi_2    
   N1    C6    C2   C1*     gi_1    
   C2    N1    C6    C5     gi_1    
   C6    N1    C2    N3     gi_1    
   N1    C6    C5    C4     gi_1    
   N1    C2    N3    C4     gi_1    
   C6    C5    C4    N3     gi_1    
   C2    N3    C4    C5     gi_1    
   C2    N3    N1    O2     gi_1    
   C4    C5    N3    N4     gi_1    
   N4   H41   H42    C4     gi_1    
  C11  C112  C111   SI1     gi_2    
  C12  C122  C121   SI1     gi_2    
  C21  C212  C211   SI2     gi_2    
  C22  C222  C221   SI2     gi_2    
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
  O5*   C5*   C4*   C3*     gd_17   
  O5*   C5*   C4*   C3*     gd_7    
  O5*   C5*   C4*   O4*     gd_8    
  C5*   C4*   C3*   C2*     gd_17   
  C5*   C4*   C3*   O3*     gd_7    
  O4*   C4*   C3*   C2*     gd_7    
  O4*   C4*   C3*   O3*     gd_8    
  C4*   C3*   C2*   C1*     gd_17   
  O3*   C3*   C2*   C1*     gd_7    
  C4*   C3*   C2*   O2*     gd_7    
  O3*   C3*   C2*   O2*     gd_8    
  C3*   C2*   C1*   O4*     gd_17   
  C3*   C2*   C1*   O4*     gd_7    
  O2*   C2*   C1*    N1     gd_7    
  O2*   C2*   C1*   O4*     gd_8    
  C3*   C4*   O4*   C1*     gd_14   
  C4*   O4*   C1*   C2*     gd_14   
  O4*   C1*    N1    C2     gd_6    
   N3    C4    N4   H41     gd_4    
  C1*   C2*   O2*   H2*     gd_12   
  C4*   C3*   O3*   SI1     gd_14   
  C3*   O3*   SI1   OSI     gd_14   
  O3*   SI1   OSI   SI2     gd_14   
  SI1   OSI   SI2   O5*     gd_14   
  OSI   SI2   O5*   C5*     gd_14   
  SI2   O5*   C5*   C4*     gd_14   
  O3*   SI1   C11  C111     gd_17   
  O3*   SI1   C12  C121     gd_17   
  O5*   SI2   C21  C211     gd_17   
  O5*   SI2   C22  C221     gd_17   

[ 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_16   
   N1   C8A    gb_16   
   C2   NA2    gb_8    
   C2    N3    gb_11   
  NA2  HA21    gb_2    
  NA2  HA22    gb_2    
   N3    C4    gb_11   
   C4   NA4    gb_8    
   C4   C4A    gb_15   
  NA4  HA41    gb_2    
  NA4  HA42    gb_2    
  C4A    N5    gb_11   
  C4A   C8A    gb_15   
   N5    C6    gb_11   
   C6    C7    gb_15   
   C6    C9    gb_26   
   C7    N8    gb_6    
   N8   C8A    gb_11   
   C9   N10    gb_20   
  N10  CM10    gb_20   
  N10   C14    gb_10   
  C14   C13    gb_15   
  C14   C15    gb_15   
  C13   C12    gb_15   
  C15   C16    gb_15   
  C12   C11    gb_15   
  C16   C11    gb_15   
  C11     C    gb_26   
    C     O    gb_4    
    C     N    gb_9    
    N     H    gb_2    
    N    CA    gb_20   
   CA    CB    gb_26   
   CA    CT    gb_26   
   CB    CG    gb_26   
   CG    CD    gb_26   
   CD   OE1    gb_5    
   CD   OE2    gb_5    
   CT    O1    gb_5    
   CT    O2    gb_5    
 [ 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_24   
  HA1    N1   C8A     ga_24   
   C2    N1   C8A     ga_26   
   N1    C2   NA2     ga_26   
   N1    C2    N3     ga_26   
  NA2    C2    N3     ga_26   
   C2   NA2  HA21     ga_22   
   C2   NA2  HA22     ga_22   
 HA21   NA2  HA22     ga_23   
   C2    N3    C4     ga_26   
   N3    C4   NA4     ga_26   
   N3    C4   C4A     ga_26   
  NA4    C4   C4A     ga_26   
   C4   NA4  HA41     ga_22   
   C4   NA4  HA42     ga_22   
 HA41   NA4  HA42     ga_23   
   C4   C4A    N5     ga_26   
   C4   C4A   C8A     ga_26   
   N5   C4A   C8A     ga_26   
  C4A    N5    C6     ga_26   
   N5    C6    C7     ga_26   
   N5    C6    C9     ga_26   
   C7    C6    C9     ga_26   
   C6    C7    N8     ga_26   
   C7    N8   C8A     ga_26   
   N1   C8A   C4A     ga_26   
   N1   C8A    N8     ga_26   
  C4A   C8A    N8     ga_26   
   C6    C9   N10     ga_14   
   C9   N10  CM10     ga_19   
   C9   N10   C14     ga_32   
 CM10   N10   C14     ga_22   
  N10   C14   C13     ga_26   
  N10   C14   C15     ga_26   
  C13   C14   C15     ga_26   
  C14   C13   C12     ga_26   
  C14   C15   C16     ga_26   
  C13   C12   C11     ga_26   
  C15   C16   C11     ga_26   
  C12   C11   C16     ga_26   
  C12   C11     C     ga_26   
  C16   C11     C     ga_26   
  C11     C     O     ga_29   
  C11     C     N     ga_18   
    O     C     N     ga_32   
    C     N     H     ga_31   
    C     N    CA     ga_30   
    H     N    CA     ga_17   
    N    CA    CB     ga_12   
    N    CA    CT     ga_12   
   CB    CA    CT     ga_12   
   CA    CB    CG     ga_14   
   CB    CG    CD     ga_14   
   CG    CD   OE1     ga_21   
   CG    CD   OE2     ga_21   
  OE1    CD   OE2     ga_37   
   CA    CT    O1     ga_21   
   CA    CT    O2     ga_21   
   O1    CT    O2     ga_37   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   N1    C2   C8A   HA1     gi_1    
   C2    N1    N3   NA2     gi_1    
  NA2  HA21  HA22    C2     gi_1    
   C4    N3   C4A   NA4     gi_1    
  NA4  HA41  HA42    C4     gi_1    
   N1    C2    N3    C4     gi_1    
   C2    N3    C4   C4A     gi_1    
   N3    C4   C4A   C8A     gi_1    
   C4   C4A   C8A    N1     gi_1    
  C4A   C8A    N1    C2     gi_1    
  C8A    N1    C2    N3     gi_1    
  C4A    C4    N5   C8A     gi_1    
  C8A    N1    N8   C4A     gi_1    
  C4A    N5    C6    C7     gi_1    
   N5    C6    C7    N8     gi_1    
   C6    C7    N8   C8A     gi_1    
   C7    N8   C8A   C4A     gi_1    
   N8   C8A   C4A    N5     gi_1    
  C8A   C4A    N5    C6     gi_1    
   C6    N5    C7    C9     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    
  C15   C14   C13   C12     gi_1    
  C13   C12   C11   C16     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_4    
  C4A    C4   NA4  HA41     gd_4    
   N5    C6    C9   N10     gd_20   
   C6    C9   N10   C14     gd_19   
   C9   N10   C14   C13     gd_4    
  C12   C11     C     N     gd_1    
  C11     C     N    CA     gd_4    
    C     N    CA    CT     gd_19   
    N    CA    CT    O1     gd_20   
    N    CA    CB    CG     gd_17   
   CA    CB    CG    CD     gd_17   
   CB    CG    CD   OE1     gd_20   

[ 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_11   
   N1   C8A    gb_11   
   C2   NA2    gb_8    
   C2    N3    gb_16   
  NA2  HA21    gb_2    
  NA2  HA22    gb_2    
   N3   HA3    gb_2    
   N3    C4    gb_16   
   C4   OA4    gb_4    
   C4   C4A    gb_15   
  C4A    N5    gb_11   
  C4A   C8A    gb_15   
   N5    C6    gb_11   
   C6    C7    gb_15   
   C6    C9    gb_26   
   C7    N8    gb_6    
   N8   C8A    gb_11   
   C9   N10    gb_20   
  N10   H10    gb_2    
  N10   C14    gb_10   
  C14   C13    gb_15   
  C14   C15    gb_15   
  C13   C12    gb_15   
  C15   C16    gb_15   
  C12   C11    gb_15   
  C16   C11    gb_15   
  C11     C    gb_26   
    C     O    gb_4    
    C     N    gb_9    
    N     H    gb_2    
    N    CA    gb_20   
   CA    CB    gb_26   
   CA    CT    gb_26   
   CB    CG    gb_26   
   CG    CD    gb_26   
   CD   OE1    gb_5    
   CD   OE2    gb_5    
   CT    O1    gb_5    
   CT    O2    gb_5    
 [ 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_26   
   N1    C2   NA2     ga_26   
   N1    C2    N3     ga_26   
  NA2    C2    N3     ga_26   
   C2   NA2  HA21     ga_22   
   C2   NA2  HA22     ga_22   
 HA21   NA2  HA22     ga_23   
   C2    N3   HA3     ga_24   
   C2    N3    C4     ga_26   
  HA3    N3    C4     ga_24   
   N3    C4   OA4     ga_26   
   N3    C4   C4A     ga_26   
  OA4    C4   C4A     ga_26   
   C4   C4A    N5     ga_26   
   C4   C4A   C8A     ga_26   
   N5   C4A   C8A     ga_26   
  C4A    N5    C6     ga_26   
   N5    C6    C7     ga_26   
   N5    C6    C9     ga_26   
   C7    C6    C9     ga_26   
   C6    C7    N8     ga_26   
   C7    N8   C8A     ga_26   
   N1   C8A   C4A     ga_26   
   N1   C8A    N8     ga_26   
  C4A   C8A    N8     ga_26   
   C6    C9   N10     ga_14   
   C9   N10   H10     ga_19   
   C9   N10   C14     ga_32   
  H10   N10   C14     ga_22   
  N10   C14   C13     ga_26   
  N10   C14   C15     ga_26   
  C13   C14   C15     ga_26   
  C14   C13   C12     ga_26   
  C14   C15   C16     ga_26   
  C13   C12   C11     ga_26   
  C15   C16   C11     ga_26   
  C12   C11   C16     ga_26   
  C12   C11     C     ga_26   
  C16   C11     C     ga_26   
  C11     C     O     ga_29   
  C11     C     N     ga_18   
    O     C     N     ga_32   
    C     N     H     ga_31   
    C     N    CA     ga_30   
    H     N    CA     ga_17   
    N    CA    CB     ga_12   
    N    CA    CT     ga_12   
   CB    CA    CT     ga_12   
   CA    CB    CG     ga_14   
   CB    CG    CD     ga_14   
   CG    CD   OE1     ga_21   
   CG    CD   OE2     ga_21   
  OE1    CD   OE2     ga_37   
   CA    CT    O1     ga_21   
   CA    CT    O2     ga_21   
   O1    CT    O2     ga_37   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   C2    N1    N3   NA2     gi_1    
  NA2  HA21  HA22    C2     gi_1    
   N3    C2    C4   HA3     gi_1    
   C4    N3   C4A   OA4     gi_1    
   N1    C2    N3    C4     gi_1    
   C2    N3    C4   C4A     gi_1    
   N3    C4   C4A   C8A     gi_1    
   C4   C4A   C8A    N1     gi_1    
  C4A   C8A    N1    C2     gi_1    
  C8A    N1    C2    N3     gi_1    
  C4A    C4    N5   C8A     gi_1    
  C8A    N1    N8   C4A     gi_1    
  C4A    N5    C6    C7     gi_1    
   N5    C6    C7    N8     gi_1    
   C6    C7    N8   C8A     gi_1    
   C7    N8   C8A   C4A     gi_1    
   N8   C8A   C4A    N5     gi_1    
  C8A   C4A    N5    C6     gi_1    
   C6    N5    C7    C9     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    
  C15   C14   C13   C12     gi_1    
  C13   C12   C11   C16     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_4    
   N5    C6    C9   N10     gd_20   
   C6    C9   N10   C14     gd_19   
   C9   N10   C14   C13     gd_4    
  C12   C11     C     N     gd_1    
  C11     C     N    CA     gd_4    
    C     N    CA    CT     gd_19   
    N    CA    CT    O1     gd_20   
    N    CA    CB    CG     gd_17   
   CA    CB    CG    CD     gd_17   
   CB    CG    CD   OE1     gd_20   

[ 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_11   
   N1   C8A    gb_11   
   C2   NA2    gb_8    
   C2    N3    gb_16   
  NA2  HA21    gb_2    
  NA2  HA22    gb_2    
   N3   HA3    gb_2    
   N3    C4    gb_16   
   C4   OA4    gb_4    
   C4   C4A    gb_15   
  C4A    N5    gb_11   
  C4A   C8A    gb_15   
   N5    C6    gb_11   
   C6    C7    gb_14   
   C6    C9    gb_26   
   C7    N8    gb_16   
   N8   HA8    gb_2    
   N8   C8A    gb_16   
   C9   N10    gb_20   
  N10   H10    gb_2    
  N10   C14    gb_10   
  C14   C13    gb_15   
  C14   C15    gb_15   
  C13   C12    gb_15   
  C15   C16    gb_15   
  C12   C11    gb_15   
  C16   C11    gb_15   
  C11     C    gb_26   
    C     O    gb_4    
    C     N    gb_9    
    N     H    gb_2    
    N    CA    gb_20   
   CA    CB    gb_26   
   CA    CT    gb_26   
   CB    CG    gb_26   
   CG    CD    gb_26   
   CD   OE1    gb_5    
   CD   OE2    gb_5    
   CT    O1    gb_5    
   CT    O2    gb_5    
 [ 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_26   
   N1    C2   NA2     ga_26   
   N1    C2    N3     ga_26   
  NA2    C2    N3     ga_26   
   C2   NA2  HA21     ga_22   
   C2   NA2  HA22     ga_22   
 HA21   NA2  HA22     ga_23   
   C2    N3   HA3     ga_24   
   C2    N3    C4     ga_26   
  HA3    N3    C4     ga_24   
   N3    C4   OA4     ga_26   
   N3    C4   C4A     ga_26   
  OA4    C4   C4A     ga_26   
   C4   C4A    N5     ga_26   
   C4   C4A   C8A     ga_26   
   N5   C4A   C8A     ga_26   
  C4A    N5    C6     ga_26   
   N5    C6    C7     ga_26   
   N5    C6    C9     ga_26   
   C7    C6    C9     ga_26   
   C6    C7    N8     ga_26   
   C7    N8   HA8     ga_24   
   C7    N8   C8A     ga_26   
  HA8    N8   C8A     ga_24   
   N1   C8A   C4A     ga_26   
   N1   C8A    N8     ga_26   
  C4A   C8A    N8     ga_26   
   C6    C9   N10     ga_14   
   C9   N10   H10     ga_19   
   C9   N10   C14     ga_32   
  H10   N10   C14     ga_22   
  N10   C14   C13     ga_26   
  N10   C14   C15     ga_26   
  C13   C14   C15     ga_26   
  C14   C13   C12     ga_26   
  C14   C15   C16     ga_26   
  C13   C12   C11     ga_26   
  C15   C16   C11     ga_26   
  C12   C11   C16     ga_26   
  C12   C11     C     ga_26   
  C16   C11     C     ga_26   
  C11     C     O     ga_29   
  C11     C     N     ga_18   
    O     C     N     ga_32   
    C     N     H     ga_31   
    C     N    CA     ga_30   
    H     N    CA     ga_17   
    N    CA    CB     ga_12   
    N    CA    CT     ga_12   
   CB    CA    CT     ga_12   
   CA    CB    CG     ga_14   
   CB    CG    CD     ga_14   
   CG    CD   OE1     ga_21   
   CG    CD   OE2     ga_21   
  OE1    CD   OE2     ga_37   
   CA    CT    O1     ga_21   
   CA    CT    O2     ga_21   
   O1    CT    O2     ga_37   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   C2    N1    N3   NA2     gi_1    
  NA2  HA21  HA22    C2     gi_1    
   N3    C2    C4   HA3     gi_1    
   C4    N3   C4A   OA4     gi_1    
   N1    C2    N3    C4     gi_1    
   C2    N3    C4   C4A     gi_1    
   N3    C4   C4A   C8A     gi_1    
   C4   C4A   C8A    N1     gi_1    
  C4A   C8A    N1    C2     gi_1    
  C8A    N1    C2    N3     gi_1    
  C4A    C4    N5   C8A     gi_1    
  C8A    N1    N8   C4A     gi_1    
  C4A    N5    C6    C7     gi_1    
   N5    C6    C7    N8     gi_1    
   C6    C7    N8   C8A     gi_1    
   C7    N8   C8A   C4A     gi_1    
   N8   C8A   C4A    N5     gi_1    
  C8A   C4A    N5    C6     gi_1    
   N8    C7   C8A   HA8     gi_1    
   C6    N5    C7    C9     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    
  C15   C14   C13   C12     gi_1    
  C13   C12   C11   C16     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_4    
   N5    C6    C9   N10     gd_20   
   C6    C9   N10   C14     gd_19   
   C9   N10   C14   C13     gd_4    
  C12   C11     C     N     gd_1    
  C11     C     N    CA     gd_4    
    C     N    CA    CT     gd_19   
    N    CA    CT    O1     gd_20   
    N    CA    CB    CG     gd_17   
   CA    CB    CG    CD     gd_17   
   CB    CG    CD   OE1     gd_20   

[ 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_11   
   N1   C8A    gb_11   
   C2   NA2    gb_8    
   C2    N3    gb_16   
  NA2  HA21    gb_2    
  NA2  HA22    gb_2    
   N3   HA3    gb_2    
   N3    C4    gb_16   
   C4   OA4    gb_4    
   C4   C4A    gb_15   
  C4A    N5    gb_16   
  C4A   C8A    gb_15   
   N5   HA5    gb_2    
   N5    C6    gb_22   
   C6    C7    gb_25   
   C6    C9    gb_26   
   C7    N8    gb_22   
   N8   HA8    gb_2    
   N8   C8A    gb_16   
   C9   N10    gb_20   
  N10   H10    gb_2    
  N10   C14    gb_10   
  C14   C13    gb_15   
  C14   C15    gb_15   
  C13   C12    gb_15   
  C15   C16    gb_15   
  C12   C11    gb_15   
  C16   C11    gb_15   
  C11     C    gb_26   
    C     O    gb_4    
    C     N    gb_9    
    N     H    gb_2    
    N    CA    gb_20   
   CA    CB    gb_26   
   CA    CT    gb_26   
   CB    CG    gb_26   
   CG    CD    gb_26   
   CD   OE1    gb_5    
   CD   OE2    gb_5    
   CT    O1    gb_5    
   CT    O2    gb_5    
 [ 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_26   
   N1    C2   NA2     ga_26   
   N1    C2    N3     ga_26   
  NA2    C2    N3     ga_26   
   C2   NA2  HA21     ga_22   
   C2   NA2  HA22     ga_22   
 HA21   NA2  HA22     ga_23   
   C2    N3   HA3     ga_24   
   C2    N3    C4     ga_26   
  HA3    N3    C4     ga_24   
   N3    C4   OA4     ga_26   
   N3    C4   C4A     ga_26   
  OA4    C4   C4A     ga_26   
   C4   C4A    N5     ga_26   
   C4   C4A   C8A     ga_26   
   N5   C4A   C8A     ga_26   
  C4A    N5   HA5     ga_24   
  C4A    N5    C6     ga_26   
  HA5    N5    C6     ga_24   
   N5    C6    C7     ga_7    
   N5    C6    C9     ga_7    
   C7    C6    C9     ga_7    
   C6    C7    N8     ga_7    
   C7    N8   HA8     ga_24   
   C7    N8   C8A     ga_26   
  HA8    N8   C8A     ga_24   
   N1   C8A   C4A     ga_26   
   N1   C8A    N8     ga_26   
  C4A   C8A    N8     ga_26   
   C6    C9   N10     ga_14   
   C9   N10   H10     ga_19   
   C9   N10   C14     ga_32   
  H10   N10   C14     ga_22   
  N10   C14   C13     ga_26   
  N10   C14   C15     ga_26   
  C13   C14   C15     ga_26   
  C14   C13   C12     ga_26   
  C14   C15   C16     ga_26   
  C13   C12   C11     ga_26   
  C15   C16   C11     ga_26   
  C12   C11   C16     ga_26   
  C12   C11     C     ga_26   
  C16   C11     C     ga_26   
  C11     C     O     ga_29   
  C11     C     N     ga_18   
    O     C     N     ga_32   
    C     N     H     ga_31   
    C     N    CA     ga_30   
    H     N    CA     ga_17   
    N    CA    CB     ga_12   
    N    CA    CT     ga_12   
   CB    CA    CT     ga_12   
   CA    CB    CG     ga_14   
   CB    CG    CD     ga_14   
   CG    CD   OE1     ga_21   
   CG    CD   OE2     ga_21   
  OE1    CD   OE2     ga_37   
   CA    CT    O1     ga_21   
   CA    CT    O2     ga_21   
   O1    CT    O2     ga_37   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   C2    N1    N3   NA2     gi_1    
  NA2  HA21  HA22    C2     gi_1    
   N3    C2    C4   HA3     gi_1    
   C4    N3   C4A   OA4     gi_1    
   N1    C2    N3    C4     gi_1    
   C2    N3    C4   C4A     gi_1    
   N3    C4   C4A   C8A     gi_1    
   C4   C4A   C8A    N1     gi_1    
  C4A   C8A    N1    C2     gi_1    
  C8A    N1    C2    N3     gi_1    
  C4A    C4    N5   C8A     gi_1    
  C8A    N1    N8   C4A     gi_1    
  C4A    N5    C6    C7     gi_1    
   N5    C6    C7    N8     gi_1    
   C6    C7    N8   C8A     gi_1    
   C7    N8   C8A   C4A     gi_1    
   N8   C8A   C4A    N5     gi_1    
  C8A   C4A    N5    C6     gi_1    
   N5   C4A    C6   HA5     gi_1    
   N8    C7   C8A   HA8     gi_1    
   C6    N5    C7    C9     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    
  C15   C14   C13   C12     gi_1    
  C13   C12   C11   C16     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_4    
   N5    C6    C9   N10     gd_20   
   C6    C9   N10   C14     gd_19   
   C9   N10   C14   C13     gd_4    
  C12   C11     C     N     gd_1    
  C11     C     N    CA     gd_4    
    C     N    CA    CT     gd_19   
    N    CA    CT    O1     gd_20   
    N    CA    CB    CG     gd_17   
   CA    CB    CG    CD     gd_17   
   CB    CG    CD   OE1     gd_20   

[ 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_11   
   N1    C6    gb_6    
   C2   NA2    gb_8    
   C2    N3    gb_11   
  NA2  HA21    gb_2    
  NA2  HA22    gb_2    
   N3    C4    gb_11   
   C4   NA4    gb_8    
   C4    C5    gb_15   
  NA4  HA41    gb_2    
  NA4  HA42    gb_2    
   C5    C6    gb_15   
   C5    C7    gb_26   
   C7   C11    gb_26   
  C11   C12    gb_15   
  C11   C16    gb_15   
  C12   C13    gb_15   
  C16   C15    gb_15   
  C13   O13    gb_12   
  C13   C14    gb_15   
  O13  CM13    gb_17   
  C15   O15    gb_12   
  C15   C14    gb_15   
  O15  CM15    gb_17   
  C14   O14    gb_12   
  O14  CM14    gb_17   
 [ 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_26   
   N1    C2   NA2     ga_26   
   N1    C2    N3     ga_26   
  NA2    C2    N3     ga_26   
   C2   NA2  HA21     ga_22   
   C2   NA2  HA22     ga_22   
 HA21   NA2  HA22     ga_23   
   C2    N3    C4     ga_26   
   N3    C4   NA4     ga_26   
   N3    C4    C5     ga_26   
  NA4    C4    C5     ga_26   
   C4   NA4  HA41     ga_22   
   C4   NA4  HA42     ga_22   
 HA41   NA4  HA42     ga_23   
   C4    C5    C6     ga_26   
   C4    C5    C7     ga_26   
   C6    C5    C7     ga_26   
   N1    C6    C5     ga_26   
   C5    C7   C11     ga_14   
   C7   C11   C12     ga_26   
   C7   C11   C16     ga_26   
  C12   C11   C16     ga_26   
  C11   C12   C13     ga_26   
  C11   C16   C15     ga_26   
  C12   C13   O13     ga_26   
  C12   C13   C14     ga_26   
  O13   C13   C14     ga_26   
  C13   O13  CM13     ga_19   
  C16   C15   O15     ga_26   
  C16   C15   C14     ga_26   
  O15   C15   C14     ga_26   
  C15   O15  CM15     ga_19   
  C13   C14   C15     ga_26   
  C13   C14   O14     ga_26   
  C15   C14   O14     ga_26   
  C14   O14  CM14     ga_19   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   C2    N1    N3   NA2     gi_1    
  NA2  HA21  HA22    C2     gi_1    
   C4    N3    C5   NA4     gi_1    
  NA4  HA41  HA42    C4     gi_1    
   N1    C2    N3    C4     gi_1    
   C2    N3    C4    C5     gi_1    
   N3    C4    C5    C6     gi_1    
   C4    C5    C6    N1     gi_1    
   C5    C6    N1    C2     gi_1    
   C6    N1    C2    N3     gi_1    
   C5    C4    C6    C7     gi_1    
  C11   C12   C16    C7     gi_1    
  C11   C12   C13   C14     gi_1    
  C11   C16   C15   C14     gi_1    
  C12   C13   C14   C15     gi_1    
  C12   C11   C16   C15     gi_1    
  C16   C15   C14   C13     gi_1    
  C16   C11   C12   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_4    
   C5    C4   NA4  HA41     gd_4    
   C4    C5    C7   C11     gd_20   
   C5    C7   C11   C12     gd_20   
  C12   C13   O13  CM13     gd_2    
  C12   C13   O13  CM13     gd_3    
  C16   C15   O15  CM15     gd_2    
  C16   C15   O15  CM15     gd_3    
  C13   C14   O14  CM14     gd_2    

[ 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_16   
   N1    C6    gb_16   
   C2   NA2    gb_8    
   C2    N3    gb_11   
  NA2  HA21    gb_2    
  NA2  HA22    gb_2    
   N3    C4    gb_11   
   C4   NA4    gb_8    
   C4    C5    gb_15   
  NA4  HA41    gb_2    
  NA4  HA42    gb_2    
   C5    C6    gb_15   
   C5    C7    gb_26   
   C7   C11    gb_26   
  C11   C12    gb_15   
  C11   C16    gb_15   
  C12   C13    gb_15   
  C16   C15    gb_15   
  C13   O13    gb_12   
  C13   C14    gb_15   
  O13  CM13    gb_17   
  C15   O15    gb_12   
  C15   C14    gb_15   
  O15  CM15    gb_17   
  C14   O14    gb_12   
  O14  CM14    gb_17   
 [ 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_24   
  HA1    N1    C6     ga_24   
   C2    N1    C6     ga_26   
   N1    C2   NA2     ga_26   
   N1    C2    N3     ga_26   
  NA2    C2    N3     ga_26   
   C2   NA2  HA21     ga_22   
   C2   NA2  HA22     ga_22   
 HA21   NA2  HA22     ga_23   
   C2    N3    C4     ga_26   
   N3    C4   NA4     ga_26   
   N3    C4    C5     ga_26   
  NA4    C4    C5     ga_26   
   C4   NA4  HA41     ga_22   
   C4   NA4  HA42     ga_22   
 HA41   NA4  HA42     ga_23   
   C4    C5    C6     ga_26   
   C4    C5    C7     ga_26   
   C6    C5    C7     ga_26   
   N1    C6    C5     ga_26   
   C5    C7   C11     ga_14   
   C7   C11   C12     ga_26   
   C7   C11   C16     ga_26   
  C12   C11   C16     ga_26   
  C11   C12   C13     ga_26   
  C11   C16   C15     ga_26   
  C12   C13   O13     ga_26   
  C12   C13   C14     ga_26   
  O13   C13   C14     ga_26   
  C13   O13  CM13     ga_19   
  C16   C15   O15     ga_26   
  C16   C15   C14     ga_26   
  O15   C15   C14     ga_26   
  C15   O15  CM15     ga_19   
  C13   C14   C15     ga_26   
  C13   C14   O14     ga_26   
  C15   C14   O14     ga_26   
  C14   O14  CM14     ga_19   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   N1    C2    C6   HA1     gi_1    
   C2    N1    N3   NA2     gi_1    
  NA2  HA21  HA22    C2     gi_1    
   C4    N3    C5   NA4     gi_1    
  NA4  HA41  HA42    C4     gi_1    
   N1    C2    N3    C4     gi_1    
   C2    N3    C4    C5     gi_1    
   N3    C4    C5    C6     gi_1    
   C4    C5    C6    N1     gi_1    
   C5    C6    N1    C2     gi_1    
   C6    N1    C2    N3     gi_1    
   C5    C4    C6    C7     gi_1    
  C11   C12   C16    C7     gi_1    
  C11   C12   C13   C14     gi_1    
  C11   C16   C15   C14     gi_1    
  C12   C13   C14   C15     gi_1    
  C12   C11   C16   C15     gi_1    
  C16   C15   C14   C13     gi_1    
  C16   C11   C12   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_4    
   C5    C4   NA4  HA41     gd_4    
   C4    C5    C7   C11     gd_20   
   C5    C7   C11   C12     gd_20   
  C12   C13   O13  CM13     gd_2    
  C12   C13   O13  CM13     gd_3    
  C16   C15   O15  CM15     gd_2    
  C16   C15   O15  CM15     gd_3    
  C13   C14   O14  CM14     gd_2    

[ 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_16   
   N1    C6    gb_16   
   C2   NA2    gb_8    
   C2    N3    gb_11   
  NA2  HA21    gb_2    
  NA2  HA22    gb_2    
   N3    C4    gb_11   
   C4   NA4    gb_8    
   C4    C5    gb_15   
  NA4  HA41    gb_2    
  NA4  HA42    gb_2    
   C5    C6    gb_15   
   C5    C7    gb_26   
   C7   C11    gb_26   
  C11   C12    gb_15   
  C11   C16    gb_15   
  C12   C13    gb_15   
  C16   C15    gb_15   
  C13   O13    gb_12   
  C13   C14    gb_15   
  O13  CM13    gb_1    
  C15   O15    gb_12   
  C15   C14    gb_15   
  O15  CM15    gb_1    
  C14   O14    gb_12   
  O14  CM14    gb_1    
 [ 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_24   
  HA1    N1    C6     ga_24   
   C2    N1    C6     ga_26   
   N1    C2   NA2     ga_26   
   N1    C2    N3     ga_26   
  NA2    C2    N3     ga_26   
   C2   NA2  HA21     ga_22   
   C2   NA2  HA22     ga_22   
 HA21   NA2  HA22     ga_23   
   C2    N3    C4     ga_26   
   N3    C4   NA4     ga_26   
   N3    C4    C5     ga_26   
  NA4    C4    C5     ga_26   
   C4   NA4  HA41     ga_22   
   C4   NA4  HA42     ga_22   
 HA41   NA4  HA42     ga_23   
   C4    C5    C6     ga_26   
   C4    C5    C7     ga_26   
   C6    C5    C7     ga_26   
   N1    C6    C5     ga_26   
   C5    C7   C11     ga_14   
   C7   C11   C12     ga_26   
   C7   C11   C16     ga_26   
  C12   C11   C16     ga_26   
  C11   C12   C13     ga_26   
  C11   C16   C15     ga_26   
  C12   C13   O13     ga_26   
  C12   C13   C14     ga_26   
  O13   C13   C14     ga_26   
  C13   O13  CM13     ga_19   
  C16   C15   O15     ga_26   
  C16   C15   C14     ga_26   
  O15   C15   C14     ga_26   
  C15   O15  CM15     ga_19   
  C13   C14   C15     ga_26   
  C13   C14   O14     ga_26   
  C15   C14   O14     ga_26   
  C14   O14  CM14     ga_19   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   N1    C2    C6   HA1     gi_1    
   C2    N1    N3   NA2     gi_1    
  NA2  HA21  HA22    C2     gi_1    
   C4    N3    C5   NA4     gi_1    
  NA4  HA41  HA42    C4     gi_1    
   N1    C2    N3    C4     gi_1    
   C2    N3    C4    C5     gi_1    
   N3    C4    C5    C6     gi_1    
   C4    C5    C6    N1     gi_1    
   C5    C6    N1    C2     gi_1    
   C6    N1    C2    N3     gi_1    
   C5    C4    C6    C7     gi_1    
  C11   C12   C16    C7     gi_1    
  C11   C12   C13   C14     gi_1    
  C11   C16   C15   C14     gi_1    
  C12   C13   C14   C15     gi_1    
  C12   C11   C16   C15     gi_1    
  C16   C15   C14   C13     gi_1    
  C16   C11   C12   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_4    
   C5    C4   NA4  HA41     gd_4    
   C4    C5    C7   C11     gd_20   
   C5    C7   C11   C12     gd_20   
  C12   C13   O13  CM13     gd_2    
  C12   C13   O13  CM13     gd_3    
  C16   C15   O15  CM15     gd_2    
  C16   C15   O15  CM15     gd_3    
  C13   C14   O14  CM14     gd_2    

[ 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_23   
    P   O2P    gb_23   
    P   O3P    gb_27   
    P   O4P    gb_27   
  O3P   H3P    gb_1    
  O4P    C1    gb_17   
   C1    C2    gb_26   
   C2    O2    gb_17   
   C2    C3    gb_26   
   O2    H2    gb_1    
   C3   OT1    gb_5    
   C3   OT2    gb_5    
 [ exclusions ]
;  ai    aj
  O1P   H3P
  O2P   H3P
  H3P   O4P
 [ angles ]
;  ai    aj    ak   gromos type
  O1P     P   O2P     ga_28   
  O1P     P   O3P     ga_13   
  O1P     P   O4P     ga_13   
  O2P     P   O3P     ga_13   
  O2P     P   O4P     ga_13   
  O3P     P   O4P     ga_4    
    P   O3P   H3P     ga_11   
    P   O4P    C1     ga_25   
  O4P    C1    C2     ga_14   
   C1    C2    O2     ga_14   
   C1    C2    C3     ga_12   
   O2    C2    C3     ga_12   
   C2    O2    H2     ga_11   
   C2    C3   OT1     ga_21   
   C2    C3   OT2     ga_21   
  OT1    C3   OT2     ga_37   
 [ 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_11   
  O4P     P   O3P   H3P     gd_9    
  O3P     P   O4P    C1     gd_11   
  O3P     P   O4P    C1     gd_9    
    P   O4P    C1    C2     gd_14   
  O4P    C1    C2    C3     gd_17   
   C1    C2    O2    H2     gd_12   
   C1    C2    C3   OT1     gd_20   

[ 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
AO1PA    OM    -0.63500     9
AO2PA    OM    -0.63500     9
AO3PA    OA    -0.36000    10
  APB     P     0.70500    10
AO1PB    OM    -0.63500    10
AO2PB    OM    -0.63500    10
AO3PB    OA    -0.36000    11
  APG     P     0.63000    11
AO1PG    OM    -0.63500    11
AO2PG    OM    -0.63500    11
AO3PG    OA    -0.54800    11
AH3PG     H     0.39800    11
 [ bonds ]
  AN9   AC4    gb_9    
  AN9   AC8    gb_9    
  AN9  AC1*    gb_21   
  AC4   AN3    gb_11   
  AC4   AC5    gb_15   
  AN3   AC2    gb_6    
  AC2   AN1    gb_6    
  AN1   AC6    gb_11   
  AC6   AN6    gb_8    
  AC6   AC5    gb_15   
  AN6  AH61    gb_2    
  AN6  AH62    gb_2    
  AC5   AN7    gb_9    
  AN7   AC8    gb_9    
 AC1*  AO4*    gb_19   
 AC1*  AC2*    gb_25   
 AO4*  AC4*    gb_19   
 AC4*  AC3*    gb_25   
 AC4*  AC5*    gb_25   
 AC2*  AO2*    gb_19   
 AC2*  AC3*    gb_25   
 AO2*  AH2*    gb_1    
 AC3*  AO3*    gb_19   
 AO3*  AH3*    gb_1    
 AC5*  AO5*    gb_19   
 AO5*   APA    gb_27   
  APA AO1PA    gb_23   
  APA AO2PA    gb_23   
  APA AO3PA    gb_27   
AO3PA   APB    gb_27   
  APB AO1PB    gb_23   
  APB AO2PB    gb_23   
  APB AO3PB    gb_27   
AO3PB   APG    gb_27   
  APG AO1PG    gb_23   
  APG AO2PG    gb_23   
  APG AO3PG    gb_27   
AO3PG AH3PG    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*
AO3PB AH3PG
AO1PG AH3PG
AO2PG AH3PG
 [ angles ]
;  ai    aj    ak   gromos type
  AC4   AN9   AC8     ga_6    
  AC4   AN9  AC1*     ga_36   
  AC8   AN9  AC1*     ga_36   
  AN9   AC4   AN3     ga_38   
  AN9   AC4   AC5     ga_6    
  AN3   AC4   AC5     ga_26   
  AC4   AN3   AC2     ga_26   
  AN3   AC2   AN1     ga_26   
  AC2   AN1   AC6     ga_26   
  AN1   AC6   AN6     ga_26   
  AN1   AC6   AC5     ga_26   
  AN6   AC6   AC5     ga_26   
  AC6   AN6  AH61     ga_22   
  AC6   AN6  AH62     ga_22   
 AH61   AN6  AH62     ga_23   
  AC4   AC5   AC6     ga_26   
  AC4   AC5   AN7     ga_6    
  AC6   AC5   AN7     ga_38   
  AC5   AN7   AC8     ga_6    
  AN9   AC8   AN7     ga_6    
  AN9  AC1*  AO4*     ga_8    
  AN9  AC1*  AC2*     ga_8    
 AO4*  AC1*  AC2*     ga_8    
 AC1*  AO4*  AC4*     ga_9    
 AO4*  AC4*  AC3*     ga_8    
 AO4*  AC4*  AC5*     ga_8    
 AC3*  AC4*  AC5*     ga_7    
 AC1*  AC2*  AO2*     ga_8    
 AC1*  AC2*  AC3*     ga_7    
 AO2*  AC2*  AC3*     ga_8    
 AC2*  AO2*  AH2*     ga_11   
 AC4*  AC3*  AC2*     ga_7    
 AC4*  AC3*  AO3*     ga_8    
 AC2*  AC3*  AO3*     ga_8    
 AC3*  AO3*  AH3*     ga_11   
 AC4*  AC5*  AO5*     ga_8    
 AC5*  AO5*   APA     ga_25   
 AO5*   APA AO1PA     ga_13   
 AO5*   APA AO2PA     ga_13   
 AO5*   APA AO3PA     ga_4    
AO1PA   APA AO2PA     ga_28   
AO1PA   APA AO3PA     ga_13   
AO2PA   APA AO3PA     ga_13   
  APA AO3PA   APB     ga_25   
AO3PA   APB AO1PB     ga_13   
AO3PA   APB AO2PB     ga_13   
AO3PA   APB AO3PB     ga_4    
AO1PB   APB AO2PB     ga_28   
AO1PB   APB AO3PB     ga_13   
AO2PB   APB AO3PB     ga_13   
  APB AO3PB   APG     ga_25   
AO3PB   APG AO1PG     ga_13   
AO3PB   APG AO2PG     ga_13   
AO3PB   APG AO3PG     ga_4    
AO1PG   APG AO2PG     ga_28   
AO1PG   APG AO3PG     ga_13   
AO2PG   APG AO3PG     ga_13   
  APG AO3PG AH3PG     ga_11   
 [ impropers ]
;  ai    aj    ak    al   gromos type
  AN9   AC8   AC4  AC1*     gi_1    
  AC4   AN9   AC8   AN7     gi_1    
  AC8   AN9   AC4   AC5     gi_1    
  AN9   AC8   AN7   AC5     gi_1    
  AN9   AC4   AC5   AN7     gi_1    
  AC8   AN7   AC5   AC4     gi_1    
  AC4   AN9   AN3   AC5     gi_1    
  AC5   AC6   AN7   AC4     gi_1    
  AN3   AC4   AC5   AC6     gi_1    
  AC4   AC5   AC6   AN1     gi_1    
  AC5   AC4   AN3   AC2     gi_1    
  AC5   AC6   AN1   AC2     gi_1    
  AC4   AN3   AC2   AN1     gi_1    
  AN3   AC2   AN1   AC6     gi_1    
  AC6   AC5   AN1   AN6     gi_1    
  AN6  AH61  AH62   AC6     gi_1    
 AC1*   AN9  AO4*  AC2*     gi_2    
 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
  AC5   AC6   AN6  AH61     gd_4    
 AO4*  AC1*   AN9   AC4     gd_6    
 AC1*  AC2*  AO2*  AH2*     gd_12   
 AC4*  AC3*  AO3*  AH3*     gd_12   
 AC4*  AO4*  AC1*  AC2*     gd_14   
 AC3*  AC4*  AO4*  AC1*     gd_14   
 AC3*  AC2*  AC1*  AO4*     gd_17   
 AC3*  AC2*  AC1*  AO4*     gd_7    
 AO2*  AC2*  AC1*   AN9     gd_7    
 AO2*  AC2*  AC1*  AO4*     gd_8    
 AC4*  AC3*  AC2*  AC1*     gd_17   
 AO3*  AC3*  AC2*  AC1*     gd_7    
 AC4*  AC3*  AC2*  AO2*     gd_7    
 AO3*  AC3*  AC2*  AO2*     gd_8    
 AC5*  AC4*  AC3*  AC2*     gd_17   
 AC5*  AC4*  AC3*  AO3*     gd_7    
 AO4*  AC4*  AC3*  AC2*     gd_7    
 AO4*  AC4*  AC3*  AO3*     gd_8    
 AO5*  AC5*  AC4*  AC3*     gd_17   
 AO5*  AC5*  AC4*  AC3*     gd_7    
 AO5*  AC5*  AC4*  AO4*     gd_8    
 AC4*  AC5*  AO5*   APA     gd_14   
 AC5*  AO5*   APA AO3PA     gd_11   
 AC5*  AO5*   APA AO3PA     gd_9    
 AO5*   APA AO3PA   APB     gd_11   
 AO5*   APA AO3PA   APB     gd_9    
  APA AO3PA   APB AO3PB     gd_11   
  APA AO3PA   APB AO3PB     gd_9    
AO3PA   APB AO3PB   APG     gd_11   
AO3PA   APB AO3PB   APG     gd_9    
  APB AO3PB   APG AO3PG     gd_11   
  APB AO3PB   APG AO3PG     gd_9    
AO3PB   APG AO3PG AH3PG     gd_11   
AO3PB   APG AO3PG AH3PG     gd_9    

[ 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     C     0.00000     2
   PO    OM    -0.60000     2
 PHC1    HC    -0.20000     2
 PHC2    HC    -0.20000     2
 [ bonds ]
  PC8   PC5    gb_26   
  PC5   PC4    gb_15   
  PC5   PC6    gb_15   
  PC4   PC3    gb_15   
  PC6   PC7    gb_15   
  PC3   PC2    gb_15   
  PC7   PC2    gb_15   
  PC2   PC1    gb_26   
  PC1    PO    gb_18   
  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_26   
  PC8   PC5   PC6     ga_26   
  PC4   PC5   PC6     ga_26   
  PC5   PC4   PC3     ga_26   
  PC5   PC6   PC7     ga_26   
  PC4   PC3   PC2     ga_26   
  PC6   PC7   PC2     ga_26   
  PC3   PC2   PC7     ga_26   
  PC3   PC2   PC1     ga_26   
  PC7   PC2   PC1     ga_26   
  PC2   PC1    PO     ga_12   
  PC2   PC1  PHC1     ga_10   
  PC2   PC1  PHC2     ga_10   
   PO   PC1  PHC1     ga_10   
   PO   PC1  PHC2     ga_10   
 PHC1   PC1  PHC2     ga_9    
 [ impropers ]
;  ai    aj    ak    al   gromos type
  PC5   PC4   PC6   PC8     gi_1    
  PC6   PC5   PC4   PC3     gi_1    
  PC4   PC5   PC6   PC7     gi_1    
  PC5   PC4   PC3   PC2     gi_1    
  PC5   PC6   PC7   PC2     gi_1    
  PC4   PC3   PC2   PC7     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_20   

[ 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     C    -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_26   
  PC5   PC4    gb_15   
  PC5   PC6    gb_15   
  PC4   PC3    gb_15   
  PC6   PC7    gb_15   
  PC3   PC2    gb_15   
  PC7   PC2    gb_15   
  PC2   PC1    gb_26   
  PC1    PO    gb_12   
   PO    PH    gb_1    
  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_26   
  PC8   PC5   PC6     ga_26   
  PC4   PC5   PC6     ga_26   
  PC5   PC4   PC3     ga_26   
  PC5   PC6   PC7     ga_26   
  PC4   PC3   PC2     ga_26   
  PC6   PC7   PC2     ga_26   
  PC3   PC2   PC7     ga_26   
  PC3   PC2   PC1     ga_26   
  PC7   PC2   PC1     ga_26   
  PC2   PC1    PO     ga_12   
  PC1    PO    PH     ga_11   
  PC2   PC1  PHC1     ga_10   
  PC2   PC1  PHC2     ga_10   
   PO   PC1  PHC1     ga_10   
   PO   PC1  PHC2     ga_10   
 PHC1   PC1  PHC2     ga_9    
 [ impropers ]
;  ai    aj    ak    al   gromos type
  PC5   PC4   PC6   PC8     gi_1    
  PC6   PC5   PC4   PC3     gi_1    
  PC4   PC5   PC6   PC7     gi_1    
  PC5   PC4   PC3   PC2     gi_1    
  PC5   PC6   PC7   PC2     gi_1    
  PC4   PC3   PC2   PC7     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_20   
  PC2   PC1    PO    PH     gd_12   

[ 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_15   
   C3    C4    gb_15   
   C2    H2    gb_3    
   C2    C1    gb_15   
   C4    H4    gb_3    
   C4    C5    gb_15   
   C1    H1    gb_3    
   C1    C6    gb_15   
   C5    H5    gb_3    
   C5    C6    gb_15   
   C6    C7    gb_22   
   C7    O8    gb_4    
   C7    O9    gb_12   
   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_24   
   H3    C3    C4     ga_24   
   C2    C3    C4     ga_26   
   C3    C2    H2     ga_24   
   C3    C2    C1     ga_26   
   H2    C2    C1     ga_24   
   C3    C4    H4     ga_24   
   C3    C4    C5     ga_26   
   H4    C4    C5     ga_24   
   C2    C1    H1     ga_24   
   C2    C1    C6     ga_26   
   H1    C1    C6     ga_24   
   C4    C5    H5     ga_24   
   C4    C5    C6     ga_26   
   H5    C5    C6     ga_24   
   C1    C6    C5     ga_26   
   C1    C6    C7     ga_26   
   C5    C6    C7     ga_26   
   C6    C7    O8     ga_29   
   C6    C7    O9     ga_18   
   O8    C7    O9     ga_32   
   C7    O9    H9     ga_11   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   C3    C2    C4    H3     gi_1    
   C2    C1    C3    H2     gi_1    
   C4    C5    C3    H4     gi_1    
   C1    C2    C6    H1     gi_1    
   C5    C4    C6    H5     gi_1    
   C3    C2    C1    C6     gi_1    
   C3    C4    C5    C6     gi_1    
   C2    C3    C4    C5     gi_1    
   C4    C3    C2    C1     gi_1    
   C2    C1    C6    C5     gi_1    
   C4    C5    C6    C1     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_1    
   C6    C7    O9    H9     gd_3    

[ RTOL ]
 [ atoms ]
  C18   CH3     0.00000     0
  C17   CH3     0.00000     0
   C1     C     0.00000     0
   C2   CH2     0.00000     1
   C3   CH2     0.00000     1
   C4   CH2     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_26   
  C17    C1    gb_26   
   C1    C2    gb_26   
   C1    C6    gb_26   
   C2    C3    gb_26   
   C3    C4    gb_26   
   C4    C5    gb_26   
   C5   C16    gb_26   
   C5    C6    gb_9    
   C6    C7    gb_22   
   C7    C8    gb_12   
   C8    C9    gb_22   
   C9   C19    gb_26   
   C9   C10    gb_12   
  C10   C11    gb_22   
  C11   C12    gb_12   
  C12   C13    gb_22   
  C13   C20    gb_26   
  C13   C14    gb_12   
  C14   C15    gb_22   
  C15   O21    gb_17   
  O21   H21    gb_1    
 [ angles ]
;  ai    aj    ak   gromos type
  C18    C1   C17     ga_12   
  C18    C1    C2     ga_12   
  C18    C1    C6     ga_12   
  C17    C1    C2     ga_12   
  C17    C1    C6     ga_12   
   C2    C1    C6     ga_12   
   C1    C2    C3     ga_12   
   C2    C3    C4     ga_12   
   C3    C4    C5     ga_12   
   C4    C5   C16     ga_26   
   C4    C5    C6     ga_26   
  C16    C5    C6     ga_26   
   C1    C6    C5     ga_26   
   C1    C6    C7     ga_26   
   C5    C6    C7     ga_26   
   C6    C7    C8     ga_26   
   C7    C8    C9     ga_26   
   C8    C9   C19     ga_26   
   C8    C9   C10     ga_26   
  C19    C9   C10     ga_26   
   C9   C10   C11     ga_26   
  C10   C11   C12     ga_26   
  C11   C12   C13     ga_26   
  C12   C13   C20     ga_26   
  C12   C13   C14     ga_26   
  C20   C13   C14     ga_26   
  C13   C14   C15     ga_26   
  C14   C15   O21     ga_12   
  C15   O21   H21     ga_11   
 [ 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
   C1    C2    C3    C4     gd_17   
   C6    C1    C2    C3     gd_17   
   C2    C3    C4    C5     gd_17   
   C2    C1    C6    C5     gd_17   
   C3    C4    C5    C6     gd_17   
   C4    C5    C6    C1     gd_4    
   C5    C6    C7    C8     gd_17   
   C6    C7    C8    C9     gd_4    
   C7    C8    C9   C10     gd_3    
   C8    C9   C10   C11     gd_4    
   C9   C10   C11   C12     gd_3    
  C10   C11   C12   C13     gd_4    
  C11   C12   C13   C14     gd_3    
  C12   C13   C14   C15     gd_4    
  C13   C14   C15   O21     gd_20   
  C14   C15   O21   H21     gd_12   

[ TEMP ]
 [ atoms ]
   O1     O    -0.20000     0
   N1    NR    -0.03600     0
   C1     C     0.11800     0
   C4     C     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_5    
   N1    C1    gb_21   
   N1    C4    gb_21   
   C1    CA    gb_24   
   C1    C6    gb_25   
   C1    C7    gb_25   
   C4    C3    gb_24   
   C4    C8    gb_25   
   C4    C9    gb_25   
   CA    C3    gb_6    
   CA    C5    gb_22   
   C5    O5    gb_4    
   C5    +N    gb_9    
 [ 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_30   
   O1    N1    C4     ga_30   
   C1    N1    C4     ga_18   
   N1    C1    CA     ga_2    
   N1    C1    C6     ga_12   
   N1    C1    C7     ga_12   
   CA    C1    C6     ga_15   
   CA    C1    C7     ga_15   
   C6    C1    C7     ga_14   
   C1    CA    C3     ga_15   
   C1    CA    C5     ga_30   
   C3    CA    C5     ga_34   
   CA    C3    C4     ga_15   
   N1    C4    C3     ga_2    
   N1    C4    C8     ga_12   
   N1    C4    C9     ga_12   
   C3    C4    C8     ga_15   
   C3    C4    C9     ga_15   
   C8    C4    C9     ga_14   
   CA    C5    O5     ga_29   
   CA    C5    +N     ga_18   
   O5    C5    +N     ga_32   
 [ impropers ]
;  ai    aj    ak    al   gromos type
   N1    C1    C4    O1     gi_1    
   N1    C1    CA    C3     gi_1    
   C1    CA    C3    C4     gi_1    
   CA    C3    C4    N1     gi_1    
   C3    C4    N1    C1     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_4    

[ ETH ]
 [ atoms ]
   EO    OM    -0.60000     0
  EC1   CH2    -0.40000     0
  EC2   CH3     0.00000     0
 [ bonds ]
   EO   EC1    gb_18   
  EC1   EC2    gb_26   
 [ angles ]
;  ai    aj    ak   gromos type
   EO   EC1   EC2     ga_12   
 [ impropers ]
;  ai    aj    ak    al   gromos type
 [ dihedrals ]
;  ai    aj    ak    al   gromos type

[ ETHH ]
 [ atoms ]
   EH     H     0.39800     0
   EO    OA    -0.54800     0
  EC1   CH2     0.15000     0
  EC2   CH3     0.00000     1
 [ bonds ]
   EH    EO    gb_1    
   EO   EC1    gb_17   
  EC1   EC2    gb_26   
 [ angles ]
;  ai    aj    ak   gromos type
   EH    EO   EC1     ga_11   
   EO   EC1   EC2     ga_14   
 [ impropers ]
;  ai    aj    ak    al   gromos type
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
   EH    EO   EC1   EC2     gd_12   

[ 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    0.540     0
   O1    OM   -0.635     0
   O2    OM   -0.635     0
   O3    OM   -0.635     0
   O4    OM   -0.635     0
 [ bonds ]
    S    O1    gb_24
    S    O2    gb_24
    S    O3    gb_24
    S    O4    gb_24
 [ angles ]
;   ai    aj    ak  gromos type
   O1     S    O2    ga_12
   O1     S    O3    ga_12
   O1     S    O4    ga_12
   O2     S    O3    ga_12
   O2     S    O4    ga_12
   O3     S    O4    ga_12
 [ 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_35   
   OW   HW2    gb_35   
  HW1   HW2    gb_41   
 [ 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_35   
   OW   HW2    gb_35   
  HW1   HW2    gb_41   
 [ 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_35   
   OW   HW2    gb_35   
  HW1   HW2    gb_41   
 [ 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_37   
 CChl CLCh2    gb_37   
 CChl CLCh3    gb_37   
 HChl CLCh1    gb_42   
 HChl CLCh2    gb_42   
 HChl CLCh3    gb_42   
CLCh1 CLCh2    gb_43   
CLCh1 CLCh3    gb_43   
CLCh2 CLCh3    gb_43   
 [ angles ]
;  ai    aj    ak   gromos type
 [ impropers ]
;  ai    aj    ak    al   gromos type
 [ dihedrals ]
;  ai    aj    ak    al   gromos type

[ DMSO ]
 [ atoms ]
SDmso SDmso     0.13900     0
ODmso ODmso    -0.45900     0
CDms1 CDmso     0.16000     0
CDms2 CDmso     0.16000     0
 [ bonds ]
SDmso ODmso    gb_38   
SDmso CDms1    gb_39   
SDmso CDms2    gb_39   
ODmso CDms1    gb_44   
ODmso CDms2    gb_44   
CDms1 CDms2    gb_45   
 [ angles ]
;  ai    aj    ak   gromos type
 [ impropers ]
;  ai    aj    ak    al   gromos type
 [ dihedrals ]
;  ai    aj    ak    al   gromos type

[ CH3OH ]
 [ atoms ]
 Omet  OMet    -0.57400     0
 HMet     H     0.39800     0
 CMet  CMet     0.17600     0
 [ bonds ]
 Omet  HMet    gb_1    
 Omet  CMet    gb_17   
 HMet  CMet    gb_46   
 [ 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_40   
 CCl4 CLCl2    gb_40   
 CCl4 CLCl3    gb_40   
 CCl4 CLCl4    gb_40   
CLCl1 CLCl2    gb_47   
CLCl1 CLCl3    gb_47   
CLCl1 CLCl4    gb_47   
CLCl2 CLCl3    gb_47   
CLCl2 CLCl4    gb_47   
 [ angles ]
;  ai    aj    ak   gromos type
 [ impropers ]
;  ai    aj    ak    al   gromos type
 [ dihedrals ]
;  ai    aj    ak    al   gromos type

[ D6PC ] ; ref. 2
 [ atoms ]
  CN1   CH3    0.250     0
  CN2   CH3    0.250     0
  CN3   CH3    0.250     0
  NTM    NL    0.000     0
   CA   CH2    0.250     0
   CB   CH2    0.000     1
   OA    OA   -0.360     2
    P     P    0.990     2
   OB    OM   -0.635     2
   OC    OM   -0.635     2
   OD    OA   -0.360     2
   CC   CH2    0.000     3
   CD   CH1    0.160     4
   OE    OA   -0.360     4
  C2A     C    0.580     4
   OF     O   -0.380     4
  C2B   CH2    0.000     5
  C2C   CH2    0.000     6
  C2D   CH2    0.000     7
  C2E   CH2    0.000     8
  C2F   CH3    0.000     9
   CE   CH2    0.160    10
   OG    OA   -0.360    10
  C1A     C    0.580    10
   OH     O   -0.380    10
  C1B   CH2    0.000    11
  C1C   CH2    0.000    12
  C1D   CH2    0.000    13
  C1E   CH2    0.000    14
  C1F   CH3    0.000    15
 

 [ bonds ]
  CN1   NTM    gb_20
  CN2   NTM    gb_20
  CN3   NTM    gb_20
  NTM    CA    gb_20
   CA    CB    gb_26
   CB    OA    gb_17
   OA     P    gb_27
    P    OB    gb_23
    P    OC    gb_23
    P    OD    gb_27
   OD    CC    gb_17
   CC    CD    gb_26
   CD    OE    gb_17
   OE   C2A    gb_9
  C2A    OF    gb_4
  C2A   C2B    gb_22
  C2B   C2C    gb_26
  C2C   C2D    gb_26
  C2D   C2E    gb_26
  C2E   C2F    gb_26
   CD    CE    gb_26
   CE    OG    gb_17
   OG   C1A    gb_9
  C1A    OH    gb_4
  C1A   C1B    gb_22
  C1B   C1C    gb_26
  C1C   C1D    gb_26
  C1D   C1E    gb_26
  C1E   C1F    gb_26   
        
 [ angles ]
;  ai    aj    ak   gromos type
  CN1   NTM   CN2     ga_12
  CN1   NTM   CN3     ga_12   
  CN1   NTM    CA     ga_12
  CN2   NTM   CN3     ga_12
  CN2   NTM    CA     ga_12
  CN3   NTM    CA     ga_12
  NTM    CA    CB     ga_14  
   CA    CB    OA     ga_14
   CB    OA     P     ga_25
   OA     P    OB     ga_13
   OA     P    OC     ga_13
   OA     P    OD     ga_4
   OB     P    OC     ga_28
   OB     P    OD     ga_13
   OC     P    OD     ga_13
   CC    OD     P     ga_25
   CD    CC    OD     ga_14
   CC    CD    OE     ga_12
   CD    OE   C2A     ga_21
   OF   C2A    OE     ga_30
   OF   C2A   C2B     ga_34
   OE   C2A   C2B     ga_15
  C2A   C2B   C2C     ga_14
  C2B   C2C   C2D     ga_14
  C2C   C2D   C2E     ga_14
  C2D   C2E   C2F     ga_14
   CC    CD    CE     ga_12
   CE    CD    OE     ga_12
   CD    CE    OG     ga_14
   CE    OG   C1A     ga_21
   OG   C1A    OH     ga_30
   OH   C1A   C1B     ga_34
   OG   C1A   C1B     ga_15
  C1A   C1B   C1C     ga_14
  C1B   C1C   C1D     ga_14
  C1C   C1D   C1E     ga_14
  C1D   C1E   C1F     ga_14
 
     
 [ impropers ]
;  ai    aj    ak    al   gromos type
   CD    CE    CC    OE     gi_2    
  C2A    OE   C2B    OF     gi_1    
  C1A    OG   C1B    OH     gi_1


 [ dihedrals ]
;  ai    aj    ak    al   gromos type

  CN1   NTM    CA    CB     gd_14
  NTM    CA    CB    OA     gd_17
   CA    CB    OA     P     gd_14
   CB    OA     P    OD     gd_11
   CB    OA     P    OD     gd_9
   OA     P    OD    CC     gd_11
   OA     P    OD    CC     gd_9
    P    OD    CC    CD     gd_14
   OD    CC    CD    CE     gd_17
   CC    CD    OE   C2A     gd_14
   CC    CD    CE    OG     gd_17
   CD    CE    OG   C1A     gd_14
   CD	 OE   C2A    OF     gd_14
   OE   C2A   C2B   C2C     gd_20
  C2A   C2B   C2C   C2D     gd_17
  C2B   C2C   C2D   C2E     gd_17
  C2C   C2D   C2E   C2F     gd_17
   CE    OG   C1A    OH     gd_14
   OG   C1A   C1B   C1C     gd_20
  C1A   C1B   C1C   C1D     gd_17
  C1B   C1C   C1D   C1E     gd_17
  C1C   C1D   C1E   C1F     gd_17
