towhee_ff Version
          14
Number of Nonbonded Types
          18
Potential Type
Lennard-Jones                 
Classical Mixrule
Lorentz-Berthelot             
Atom Type Number
           1
Nonbond Coefficients
    0.3250000000E+01
    0.8539290700E+02
    0.3250000000E+01
    0.8539290700E+02
Mass
    0.1400700000E+02
Element
 N
Bond Pattern
null 
Base Charge 
    0.1110000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Shah2004  
Atom Names
N1        
N1        
N1        
N1        
Atom Type Number
           2
Nonbond Coefficients
    0.3250000000E+01
    0.8539290700E+02
    0.3250000000E+01
    0.8539290700E+02
Mass
    0.1400700000E+02
Element
 N
Bond Pattern
null 
Base Charge 
    0.1330000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Shah2004  
Atom Names
N3        
N3        
N3        
N3        
Atom Type Number
           3
Nonbond Coefficients
    0.3880000000E+01
    0.5328036310E+02
    0.3880000000E+01
    0.5328036310E+02
Mass
    0.1301890000E+02
Element
 C
Bond Pattern
null 
Base Charge 
    0.2330000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Shah2004  
Atom Names
C2        
C2        
C2        
C2        
Atom Type Number
           4
Nonbond Coefficients
    0.3880000000E+01
    0.5328036310E+02
    0.3880000000E+01
    0.5328036310E+02
Mass
    0.1301890000E+02
Element
 C
Bond Pattern
null 
Base Charge 
    0.4000000000E-01
Polarizability
    0.1000000000E+01
Force Field Name
Shah2004  
Atom Names
C4        
C4        
C4        
C4        
Atom Type Number
           5
Nonbond Coefficients
    0.3880000000E+01
    0.5328036310E+02
    0.3880000000E+01
    0.5328036310E+02
Mass
    0.1301890000E+02
Element
 C
Bond Pattern
null 
Base Charge 
   -0.1000000000E-01
Polarizability
    0.1000000000E+01
Force Field Name
Shah2004  
Atom Names
C5        
C5        
C5        
C5        
Atom Type Number
           6
Nonbond Coefficients
    0.3775000000E+01
    0.1040350205E+03
    0.3775000000E+01
    0.1040350205E+03
Mass
    0.1503470000E+02
Element
 C
Bond Pattern
null 
Base Charge 
    0.1830000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Shah2004  
Atom Names
C6        
C6        
C6        
C6        
Atom Type Number
           7
Nonbond Coefficients
    0.3905000000E+01
    0.5929394810E+02
    0.3905000000E+01
    0.5929394810E+02
Mass
    0.1402680000E+02
Element
 C
Bond Pattern
null 
Base Charge 
    0.1950000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Shah2004  
Atom Names
C7        
C7        
C7        
C7        
Atom Type Number
           8
Nonbond Coefficients
    0.3905000000E+01
    0.5929394810E+02
    0.3905000000E+01
    0.5929394810E+02
Mass
    0.1402680000E+02
Element
 C
Bond Pattern
null 
Base Charge 
   -0.6600000000E-01
Polarizability
    0.1000000000E+01
Force Field Name
Shah2004  
Atom Names
C8        
C8        
C8        
C8        
Atom Type Number
           9
Nonbond Coefficients
    0.3905000000E+01
    0.5929394810E+02
    0.3905000000E+01
    0.5929394810E+02
Mass
    0.1402680000E+02
Element
 C
Bond Pattern
null 
Base Charge 
    0.1280000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Shah2004  
Atom Names
C9        
C9        
C9        
C9        
Atom Type Number
          10
Nonbond Coefficients
    0.3905000000E+01
    0.8803888440E+02
    0.3905000000E+01
    0.8803888440E+02
Mass
    0.1503470000E+02
Element
 C
Bond Pattern
null 
Base Charge 
   -0.4300000000E-01
Polarizability
    0.1000000000E+01
Force Field Name
Shah2004  
Atom Names
C10       
C10       
C10       
C10       
Atom Type Number
          11
Nonbond Coefficients
    0.3740000000E+01
    0.1005471412E+03
    0.3740000000E+01
    0.1005471412E+03
Mass
    0.3097400000E+02
Element
 P
Bond Pattern
null 
Base Charge 
    0.1460000000E+01
Polarizability
    0.1000000000E+01
Force Field Name
Shah2004  
Atom Names
P         
P         
P         
P         
Atom Type Number
          12
Nonbond Coefficients
    0.3118000000E+01
    0.3066928350E+02
    0.3118000000E+01
    0.3066928350E+02
Mass
    0.1899800000E+02
Element
 F
Bond Pattern
null 
Base Charge 
   -0.3940000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Shah2004  
Atom Names
F         
F         
F         
F         
Atom Type Number
          13
Nonbond Coefficients
    0.3118000000E+01
    0.3066928350E+02
    0.3118000000E+01
    0.3066928350E+02
Mass
    0.1899800000E+02
Element
 F
Bond Pattern
null 
Base Charge 
   -0.3940000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Shah2004  
Atom Names
F1        
F1        
F1        
F1        
Atom Type Number
          14
Nonbond Coefficients
    0.3118000000E+01
    0.3066928350E+02
    0.3118000000E+01
    0.3066928350E+02
Mass
    0.1899800000E+02
Element
 F
Bond Pattern
null 
Base Charge 
   -0.3940000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Shah2004  
Atom Names
F2        
F2        
F2        
F2        
Atom Type Number
          15
Nonbond Coefficients
    0.3118000000E+01
    0.3066928350E+02
    0.3118000000E+01
    0.3066928350E+02
Mass
    0.1899800000E+02
Element
 F
Bond Pattern
null 
Base Charge 
   -0.3940000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Shah2004  
Atom Names
F3        
F3        
F3        
F3        
Atom Type Number
          16
Nonbond Coefficients
    0.3118000000E+01
    0.3066928350E+02
    0.3118000000E+01
    0.3066928350E+02
Mass
    0.1899800000E+02
Element
 F
Bond Pattern
null 
Base Charge 
   -0.3940000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Shah2004  
Atom Names
F4        
F4        
F4        
F4        
Atom Type Number
          17
Nonbond Coefficients
    0.3118000000E+01
    0.3066928350E+02
    0.3118000000E+01
    0.3066928350E+02
Mass
    0.1899800000E+02
Element
 F
Bond Pattern
null 
Base Charge 
   -0.3940000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Shah2004  
Atom Names
F5        
F5        
F5        
F5        
Atom Type Number
          18
Nonbond Coefficients
    0.3118000000E+01
    0.3066928350E+02
    0.3118000000E+01
    0.3066928350E+02
Mass
    0.1899800000E+02
Element
 F
Bond Pattern
null 
Base Charge 
   -0.3940000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Shah2004  
Atom Names
F6        
F6        
F6        
F6        
Number of Bonded Terms
          17
Bond Type Number
           1
Bond Style
           1
Bond Coefficients
    0.1467526490E+01
Vibration Order
wild      
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
C6         N3        
Bond Type Number
           2
Bond Style
           1
Bond Coefficients
    0.1334381505E+01
Vibration Order
wild      
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
C2         N3        
Bond Type Number
           3
Bond Style
           1
Bond Coefficients
    0.1383302208E+01
Vibration Order
wild      
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
C4         N3        
Bond Type Number
           4
Bond Style
           1
Bond Coefficients
    0.1359651058E+01
Vibration Order
wild      
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
C4         C5        
Bond Type Number
           5
Bond Style
           1
Bond Coefficients
    0.1383713280E+01
Vibration Order
wild      
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
N1         C5        
Bond Type Number
           6
Bond Style
           1
Bond Coefficients
    0.1334733546E+01
Vibration Order
wild      
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
N1         C2        
Bond Type Number
           7
Bond Style
           1
Bond Coefficients
    0.1478684023E+01
Vibration Order
wild      
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
N1         C7        
Bond Type Number
           8
Bond Style
           1
Bond Coefficients
    0.1531925259E+01
Vibration Order
wild      
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
C8         C7        
Bond Type Number
           9
Bond Style
           1
Bond Coefficients
    0.1536063475E+01
Vibration Order
wild      
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
C8         C9        
Bond Type Number
          10
Bond Style
           1
Bond Coefficients
    0.1531510692E+01
Vibration Order
wild      
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
C10        C9        
Bond Type Number
          11
Bond Style
           1
Bond Coefficients
    0.1679577923E+01
Vibration Order
wild      
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
P          F1        
Bond Type Number
          12
Bond Style
           1
Bond Coefficients
    0.1665382539E+01
Vibration Order
wild      
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
P          F2        
Bond Type Number
          13
Bond Style
           1
Bond Coefficients
    0.1619702442E+01
Vibration Order
wild      
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
P          F3        
Bond Type Number
          14
Bond Style
           1
Bond Coefficients
    0.1618189729E+01
Vibration Order
wild      
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
P          F4        
Bond Type Number
          15
Bond Style
           1
Bond Coefficients
    0.1616978046E+01
Vibration Order
wild      
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
P          F5        
Bond Type Number
          16
Bond Style
           1
Bond Coefficients
    0.1677075431E+01
Vibration Order
wild      
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
P          F6        
Bond Type Number
          17
Bond Style
           1
Bond Coefficients
    0.1646000000E+01
Vibration Order
wild      
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
P          F         
Number of Angle Terms
          28
Angle Type Number
           1
Angle Style
           0
Angle Coefficients
    0.1265990524E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
C6         N3         C4        
Angle Type Number
           2
Angle Style
           0
Angle Coefficients
    0.1247145907E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
C6         N3         C2        
Angle Type Number
           3
Angle Style
           0
Angle Coefficients
    0.1089577031E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
N3         C2         N1        
Angle Type Number
           4
Angle Style
           0
Angle Coefficients
    0.1084984055E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
C2         N3         C4        
Angle Type Number
           5
Angle Style
           0
Angle Coefficients
    0.1070127383E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
N3         C4         C5        
Angle Type Number
           6
Angle Style
           0
Angle Coefficients
    0.1071493676E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
C4         C5         N1        
Angle Type Number
           7
Angle Style
           0
Angle Coefficients
    0.1083813774E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
C2         N1         C5        
Angle Type Number
           8
Angle Style
           0
Angle Coefficients
    0.1250661322E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
C2         N1         C7        
Angle Type Number
           9
Angle Style
           0
Angle Coefficients
    0.1264908978E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
C5         N1         C7        
Angle Type Number
          10
Angle Style
           0
Angle Coefficients
    0.1130425039E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
N1         C7         C8        
Angle Type Number
          11
Angle Style
           0
Angle Coefficients
    0.1154513039E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
C7         C8         C9        
Angle Type Number
          12
Angle Style
           0
Angle Coefficients
    0.1143624518E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
C8         C9         C10       
Angle Type Number
          13
Angle Style
           0
Angle Coefficients
    0.8750368077E+02
    0.1000000000E-04
Angle Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
F1         P          F2        
Angle Type Number
          14
Angle Style
           0
Angle Coefficients
    0.9000235888E+02
    0.1000000000E-04
Angle Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
F1         P          F3        
Angle Type Number
          15
Angle Style
           0
Angle Coefficients
    0.1766469547E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
F1         P          F4        
Angle Type Number
          16
Angle Style
           0
Angle Coefficients
    0.8993284860E+02
    0.1000000000E-04
Angle Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
F1         P          F5        
Angle Type Number
          17
Angle Style
           0
Angle Coefficients
    0.8725506620E+02
    0.1000000000E-04
Angle Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
F1         P          F6        
Angle Type Number
          18
Angle Style
           0
Angle Coefficients
    0.9016572191E+02
    0.1000000000E-04
Angle Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
F2         P          F3        
Angle Type Number
          19
Angle Style
           0
Angle Coefficients
    0.9028472553E+02
    0.1000000000E-04
Angle Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
F2         P          F4        
Angle Type Number
          20
Angle Style
           0
Angle Coefficients
    0.1766103991E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
F2         P          F5        
Angle Type Number
          21
Angle Style
           0
Angle Coefficients
    0.8778111450E+02
    0.1000000000E-04
Angle Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
F2         P          F6        
Angle Type Number
          22
Angle Style
           0
Angle Coefficients
    0.9252516808E+02
    0.1000000000E-04
Angle Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
F3         P          F4        
Angle Type Number
          23
Angle Style
           0
Angle Coefficients
    0.9205256787E+02
    0.1000000000E-04
Angle Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
F3         P          F5        
Angle Type Number
          24
Angle Style
           0
Angle Coefficients
    0.1766422644E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
F3         P          F6        
Angle Type Number
          25
Angle Style
           0
Angle Coefficients
    0.9217697648E+02
    0.1000000000E-04
Angle Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
F4         P          F5        
Angle Type Number
          26
Angle Style
           0
Angle Coefficients
    0.9014246760E+02
    0.1000000000E-04
Angle Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
F4         P          F6        
Angle Type Number
          27
Angle Style
           0
Angle Coefficients
    0.8988227266E+02
    0.1000000000E-04
Angle Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
F5         P          F6        
Angle Type Number
          28
Angle Style
          14
Angle Coefficients
    0.9000000000E+02
    0.1800000000E+03
    0.1000000000E-04
Angle Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
F          P          F         
Number of Torsion Terms
          12
Torsion Type Number
           1
Torsion Style
           2
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Torsion Coefficients
    0.3542001565E+03
   -0.6795351050E+02
    0.7919891445E+03
Torsion Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
C7         C8         C9         C10       
Torsion Type Number
           2
Torsion Style
           2
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Torsion Coefficients
    0.6861500485E+03
    0.5773041600E+02
    0.1232784925E+03
Torsion Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
N1         C7         C8         C9        
Torsion Type Number
           3
Torsion Style
           2
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Torsion Coefficients
   -0.3517947225E+03
   -0.1082445300E+03
    0.0000000000E+00
Torsion Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           2
Atom Names
C2         N1         C7         C8        
C5         N1         C7         C8        
Torsion Type Number
           4
Torsion Style
          21
One-Four Nonbond Logical
 F
Number of Torsion Loops
           1
Torsion Coefficients
    0.1000000000E-04
    0.3591390199E-02
Torsion Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
N3         C4         C5         N1        
Torsion Type Number
           5
Torsion Style
          21
One-Four Nonbond Logical
 F
Number of Torsion Loops
           1
Torsion Coefficients
    0.1000000000E-04
    0.2966768467E-02
Torsion Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
C4         C5         N1         C2        
Torsion Type Number
           6
Torsion Style
          21
One-Four Nonbond Logical
 F
Number of Torsion Loops
           1
Torsion Coefficients
    0.1000000000E-04
    0.3090603800E+01
Torsion Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
C4         C5         N1         C7        
Torsion Type Number
           7
Torsion Style
          21
One-Four Nonbond Logical
 F
Number of Torsion Loops
           1
Torsion Coefficients
    0.1000000000E-04
    0.1115981804E-02
Torsion Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
C5         N1         C2         N3        
Torsion Type Number
           8
Torsion Style
          21
One-Four Nonbond Logical
 F
Number of Torsion Loops
           1
Torsion Coefficients
    0.1000000000E-04
    0.3093308201E+01
Torsion Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
C7         N1         C2         N3        
Torsion Type Number
           9
Torsion Style
          21
One-Four Nonbond Logical
 F
Number of Torsion Loops
           1
Torsion Coefficients
    0.1000000000E-04
    0.1148943414E-02
Torsion Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
N1         C2         N3         C4        
Torsion Type Number
          10
Torsion Style
          21
One-Four Nonbond Logical
 F
Number of Torsion Loops
           1
Torsion Coefficients
    0.1000000000E-04
    0.3060568679E+01
Torsion Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
N1         C2         N3         C6        
Torsion Type Number
          11
Torsion Style
          21
One-Four Nonbond Logical
 F
Number of Torsion Loops
           1
Torsion Coefficients
    0.1000000000E-04
    0.2984292844E-02
Torsion Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
C2         N3         C4         C5        
Torsion Type Number
          12
Torsion Style
          21
One-Four Nonbond Logical
 F
Number of Torsion Loops
           1
Torsion Coefficients
    0.1000000000E-04
    0.3060437130E+01
Torsion Order
wild           
Force Field Name
Shah2004  
Number of Atoms with Same Parameters  
           1
Atom Names
C6         N3         C4         C5        
Number of Improper Terms
           0
Number of Angle-Angle Terms
           0
Number of One-Five Types
           0
Number of Bond Increments
           1
Bond Increment Type Number
           1
Bond Increment Value
    0.0000000000E+00
Bond Increment Order
wild      
Force Field Name
Shah2004  
Atom Names
wild       wild      
