towhee_ff Version
          14
Number of Nonbonded Types
          27
Potential Type
Lennard-Jones                 
Classical Mixrule
LB or Geometric               
Atom Type Number
           1
Nonbond Coefficients
    0.3207235374E+01
    0.2516083000E+02
    0.3207235374E+01
    0.1258041500E+02
Mass
    0.1201070000E+02
Element
 C
Bond Pattern
sp2  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
devel     
Atom Names
CPH1      
CPH1      
CPH1      
CPH1      
Atom Type Number
           2
Nonbond Coefficients
    0.3207235374E+01
    0.2516083000E+02
    0.3207235374E+01
    0.1258041500E+02
Mass
    0.1201070000E+02
Element
 C
Bond Pattern
sp2  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
devel     
Atom Names
CPH2      
CPH2      
CPH2      
CPH2      
Atom Type Number
           3
Nonbond Coefficients
    0.3296325246E+01
    0.1006433200E+03
    0.3296325246E+01
    0.5032166000E+02
Mass
    0.1400670000E+02
Element
 N
Bond Pattern
sp2  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
devel     
Atom Names
NR1       
NR1       
NR1       
NR1       
Atom Type Number
           4
Nonbond Coefficients
    0.3875409411E+01
    0.2767691300E+02
    0.3875409411E+01
    0.1383845650E+02
Mass
    0.1201070000E+02
Element
 C
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
devel     
Atom Names
CT3I      
CT3I      
CT3I      
CT3I      
Atom Type Number
           5
Nonbond Coefficients
    0.4053589154E+01
    0.1006433200E+02
    0.4053589154E+01
    0.5032166000E+01
Mass
    0.1201070000E+02
Element
 C
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
devel     
Atom Names
CN7B      
CN7B      
CN7B      
CN7B      
Atom Type Number
           6
Nonbond Coefficients
    0.1603617687E+01
    0.2314796360E+02
    0.1603617687E+01
    0.1157398180E+02
Mass
    0.1007940000E+01
Element
 H
Bond Pattern
s    
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
devel     
Atom Names
HR1       
HR1       
HR1       
HR1       
Atom Type Number
           7
Nonbond Coefficients
    0.2615678627E+01
    0.3925089480E+01
    0.2615678627E+01
    0.1962544740E+01
Mass
    0.1007940000E+01
Element
 H
Bond Pattern
s    
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
devel     
Atom Names
HR3       
HR3       
HR3       
HR3       
Atom Type Number
           8
Nonbond Coefficients
    0.2351972608E+01
    0.1107076520E+02
    0.2351972608E+01
    0.5535382600E+01
Mass
    0.1007940000E+01
Element
 H
Bond Pattern
s    
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
devel     
Atom Names
HA        
HA        
HA        
HA        
Atom Type Number
           9
Nonbond Coefficients
    0.2351972608E+01
    0.1107076520E+02
    0.2351972608E+01
    0.5535382600E+01
Mass
    0.1007940000E+01
Element
 H
Bond Pattern
s    
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
devel     
Atom Names
HN7       
HN7       
HN7       
HN7       
Atom Type Number
          10
Nonbond Coefficients
    0.2387608556E+01
    0.1207719840E+02
    0.2387608556E+01
    0.6038599200E+01
Mass
    0.1007940000E+01
Element
 H
Bond Pattern
s    
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
devel     
Atom Names
HA3       
HA3       
HA3       
HA3       
Atom Type Number
          11
Nonbond Coefficients
    0.3634866757E+01
    0.3925089480E+02
    0.3634866757E+01
    0.1962544740E+02
Mass
    0.1201070000E+02
Element
 C
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
devel     
Atom Names
CT3       
CT3       
CT3       
CT3       
Atom Type Number
          12
Nonbond Coefficients
    0.3581412835E+01
    0.2818012960E+02
    0.3581412835E+01
    0.1409006480E+02
Mass
    0.1201070000E+02
Element
 C
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
devel     
Atom Names
CT2       
CT2       
CT2       
CT2       
Atom Type Number
          13
Nonbond Coefficients
    0.2387608556E+01
    0.1409006480E+02
    0.2387608556E+01
    0.7045032400E+01
Mass
    0.1007940000E+01
Element
 H
Bond Pattern
s    
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
devel     
Atom Names
HA2       
HA2       
HA2       
HA2       
Atom Type Number
          14
Nonbond Coefficients
    0.3741774603E+01
    0.2365118020E+03
    0.3741774603E+01
    0.1182559010E+03
Mass
    0.3206500000E+02
Element
 S
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
devel     
Atom Names
SBS       
SBS       
SBS       
SBS       
Atom Type Number
          15
Nonbond Coefficients
    0.3029055631E+01
    0.6038599200E+02
    0.3029055631E+01
    0.3019299600E+02
Mass
    0.1599940000E+02
Element
 O
Bond Pattern
s    
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
devel     
Atom Names
OBS       
OBS       
OBS       
OBS       
Atom Type Number
          16
Nonbond Coefficients
    0.3581412835E+01
    0.2818012960E+02
    0.3581412835E+01
    0.1409006480E+02
Mass
    0.1201070000E+02
Element
 C
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
devel     
Atom Names
CBS       
CBS       
CBS       
CBS       
Atom Type Number
          17
Nonbond Coefficients
    0.2387608556E+01
    0.1409006480E+02
    0.2387608556E+01
    0.7045032400E+01
Mass
    0.1007940000E+01
Element
 H
Bond Pattern
s    
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
devel     
Atom Names
HBS       
HBS       
HBS       
HBS       
Atom Type Number
          18
Nonbond Coefficients
    0.3739992806E+01
    0.1006433200E+03
    0.3739992806E+01
    0.5032166000E+02
Mass
    0.3097376100E+02
Element
 P
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
devel     
Atom Names
P3        
P3        
P3        
P3        
Atom Type Number
          19
Nonbond Coefficients
    0.3500002510E+01
    0.3321229560E+02
    0.3500002510E+01
    0.1660614780E+02
Mass
    0.1201070000E+02
Element
 C
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
devel     
Atom Names
C1P       
C1P       
C1P       
C1P       
Atom Type Number
          20
Nonbond Coefficients
    0.3500002510E+01
    0.3321229560E+02
    0.3500002510E+01
    0.1660614780E+02
Mass
    0.1201070000E+02
Element
 C
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
devel     
Atom Names
C1PR      
C1PR      
C1PR      
C1PR      
Atom Type Number
          21
Nonbond Coefficients
    0.3500002510E+01
    0.3321229560E+02
    0.3500002510E+01
    0.1660614780E+02
Mass
    0.1201070000E+02
Element
 C
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
devel     
Atom Names
C2R       
C2R       
C2R       
C2R       
Atom Type Number
          22
Nonbond Coefficients
    0.3500002510E+01
    0.3321229560E+02
    0.3500002510E+01
    0.1660614780E+02
Mass
    0.1201070000E+02
Element
 C
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
devel     
Atom Names
CT        
CT        
CT        
CT        
Atom Type Number
          23
Nonbond Coefficients
    0.2500004338E+01
    0.1509649800E+02
    0.2500004338E+01
    0.7548249000E+01
Mass
    0.1007940000E+01
Element
 H
Bond Pattern
s    
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
devel     
Atom Names
H1        
H1        
H1        
H1        
Atom Type Number
          24
Nonbond Coefficients
    0.2500004338E+01
    0.1509649800E+02
    0.2500004338E+01
    0.7548249000E+01
Mass
    0.1007940000E+01
Element
 H
Bond Pattern
s    
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
devel     
Atom Names
HC        
HC        
HC        
HC        
Atom Type Number
          25
Nonbond Coefficients
    0.3545776886E+01
    0.4025732800E+02
    0.3545776886E+01
    0.2012866400E+02
Mass
    0.1201070000E+02
Element
 C
Bond Pattern
sp2  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
devel     
Atom Names
CCM       
CCM       
CCM       
CCM       
Atom Type Number
          26
Nonbond Coefficients
    0.3118145503E+01
    0.1006433200E+03
    0.3118145503E+01
    0.5032166000E+02
Mass
    0.1201070000E+02
Element
 C
Bond Pattern
sp   
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
devel     
Atom Names
CN        
CN        
CN        
CN        
Atom Type Number
          27
Nonbond Coefficients
    0.3296325246E+01
    0.3019299600E+03
    0.3296325246E+01
    0.1509649800E+03
Mass
    0.1400670000E+02
Element
 N
Bond Pattern
s    
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
devel     
Atom Names
NC        
NC        
NC        
NC        
Number of Bonded Terms
          25
Bond Type Number
           1
Bond Style
           2
Bond Coefficients
    0.1361000000E+01
    0.2063188060E+06
Vibration Order
wild      
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
CPH1       CPH1      
Bond Type Number
           2
Bond Style
           2
Bond Coefficients
    0.1337000000E+01
    0.2012866400E+06
Vibration Order
wild      
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
NR1        CPH2      
Bond Type Number
           3
Bond Style
           2
Bond Coefficients
    0.1382000000E+01
    0.2012866400E+06
Vibration Order
wild      
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
NR1        CPH1      
Bond Type Number
           4
Bond Style
           2
Bond Coefficients
    0.1477000000E+01
    0.1107076520E+06
Vibration Order
wild      
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
NR1        CN7B      
Bond Type Number
           5
Bond Style
           2
Bond Coefficients
    0.1077000000E+01
    0.1836740590E+06
Vibration Order
wild      
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
CPH1       HR3       
Bond Type Number
           6
Bond Style
           2
Bond Coefficients
    0.1078000000E+01
    0.1710936440E+06
Vibration Order
wild      
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
CPH2       HR1       
Bond Type Number
           7
Bond Style
           2
Bond Coefficients
    0.1090000000E+01
    0.1554939294E+06
Vibration Order
wild      
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
CN7B       HN7       
Bond Type Number
           8
Bond Style
           2
Bond Coefficients
    0.1524000000E+01
    0.1006433200E+06
Vibration Order
wild      
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
CN7B       CT3I      
Bond Type Number
           9
Bond Style
           2
Bond Coefficients
    0.1092000000E+01
    0.1620357452E+06
Vibration Order
wild      
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
CT3I       HA        
Bond Type Number
          10
Bond Style
           2
Bond Coefficients
    0.1093000000E+01
    0.1744148736E+06
Vibration Order
wild      
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
CBS        HBS       
Bond Type Number
          11
Bond Style
           2
Bond Coefficients
    0.1842000000E+01
    0.8987448476E+05
Vibration Order
wild      
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
CBS        SBS       
Bond Type Number
          12
Bond Style
           2
Bond Coefficients
    0.1492000000E+01
    0.2659499731E+06
Vibration Order
wild      
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
SBS        OBS       
Bond Type Number
          13
Bond Style
           2
Bond Coefficients
    0.1523000000E+01
    0.1502101551E+06
Vibration Order
wild      
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
CBS        CT2       
Bond Type Number
          14
Bond Style
           2
Bond Coefficients
    0.1096000000E+01
    0.1665646946E+06
Vibration Order
wild      
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
CT2        HA2       
Bond Type Number
          15
Bond Style
           2
Bond Coefficients
    0.1534000000E+01
    0.1448257375E+06
Vibration Order
wild      
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
CT2        CT2       
Bond Type Number
          16
Bond Style
           2
Bond Coefficients
    0.1532000000E+01
    0.1471908555E+06
Vibration Order
wild      
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
CT2        CT3       
Bond Type Number
          17
Bond Style
           2
Bond Coefficients
    0.1095000000E+01
    0.1695839942E+06
Vibration Order
wild      
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
CT3        HA3       
Bond Type Number
          18
Bond Style
           2
Bond Coefficients
    0.1823000000E+01
    0.1036626196E+06
Vibration Order
wild      
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
P3         C1P       
Bond Type Number
          19
Bond Style
           2
Bond Coefficients
    0.1839000000E+01
    0.1036626196E+06
Vibration Order
wild      
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
P3         C1PR      
Bond Type Number
          20
Bond Style
           2
Bond Coefficients
    0.1547000000E+01
    0.1414038646E+06
Vibration Order
wild      
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
C1PR       C2R       
Bond Type Number
          21
Bond Style
           2
Bond Coefficients
    0.1538000000E+01
    0.1414038646E+06
Vibration Order
wild      
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
C2R        C2R       
Bond Type Number
          22
Bond Style
           2
Bond Coefficients
    0.1534000000E+01
    0.1414038646E+06
Vibration Order
wild      
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
C1P        CT        
Bond Type Number
          23
Bond Style
           2
Bond Coefficients
    0.1092000000E+01
    0.1710936440E+06
Vibration Order
wild      
Force Field Name
devel     
Number of Atoms with Same Parameters  
           4
Atom Names
C1P        H1        
C1PR       H1        
C2R        HC        
CT         HC        
Bond Type Number
          24
Bond Style
           2
Bond Coefficients
    0.1408000000E+01
    0.2163831380E+06
Vibration Order
wild      
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
CCM        CN        
Bond Type Number
          25
Bond Style
           2
Bond Coefficients
    0.1167000000E+01
    0.6088920860E+06
Vibration Order
wild      
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
CN         NC        
Number of Angle Terms
          47
Angle Type Number
           1
Angle Style
           1
Angle Coefficients
    0.1071800000E+03
    0.6541815800E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
NR1        CPH1       CPH1      
Angle Type Number
           2
Angle Style
           1
Angle Coefficients
    0.1082800000E+03
    0.6541815800E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
CPH1       NR1        CPH2      
Angle Type Number
           3
Angle Style
           1
Angle Coefficients
    0.1090800000E+03
    0.6541815800E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
NR1        CPH2       NR1       
Angle Type Number
           4
Angle Style
           1
Angle Coefficients
    0.1258800000E+03
    0.6541815800E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
CPH2       NR1        CN7B      
Angle Type Number
           5
Angle Style
           1
Angle Coefficients
    0.1258300000E+03
    0.6541815800E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
CPH1       NR1        CN7B      
Angle Type Number
           6
Angle Style
           1
Angle Coefficients
    0.1083300000E+03
    0.1509649800E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HN7        CN7B       NR1       
Angle Type Number
           7
Angle Style
           1
Angle Coefficients
    0.1089700000E+03
    0.1786418930E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HN7        CN7B       HN7       
Angle Type Number
           8
Angle Style
           1
Angle Coefficients
    0.1254600000E+03
    0.1258041500E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HR1        CPH2       NR1       
Angle Type Number
           9
Angle Style
           1
Angle Coefficients
    0.1220900000E+03
    0.1258041500E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HR3        CPH1       NR1       
Angle Type Number
          10
Angle Style
           1
Angle Coefficients
    0.1307300000E+03
    0.1258041500E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HR3        CPH1       CPH1      
Angle Type Number
          11
Angle Style
           1
Angle Coefficients
    0.1116900000E+03
    0.1680743444E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HN7        CN7B       CT3I      
Angle Type Number
          12
Angle Style
           1
Angle Coefficients
    0.1108600000E+03
    0.1680743444E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HA         CT3I       CN7B      
Angle Type Number
          13
Angle Style
           1
Angle Coefficients
    0.1080300000E+03
    0.1786418930E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HA         CT3I       HA        
Angle Type Number
          14
Angle Style
           1
Angle Coefficients
    0.1124400000E+03
    0.7045032400E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
NR1        CN7B       CT3I      
Angle Type Number
          15
Angle Style
           1
Angle Coefficients
    0.1056900000E+03
    0.1861901420E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HBS        CBS        SBS       
Angle Type Number
          16
Angle Style
           1
Angle Coefficients
    0.1085500000E+03
    0.1660614780E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HBS        CBS        HBS       
Angle Type Number
          17
Angle Style
           1
Angle Coefficients
    0.1043500000E+03
    0.3723802840E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
OBS        SBS        CBS       
Angle Type Number
          18
Angle Style
           1
Angle Coefficients
    0.1140700000E+03
    0.4810750696E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
OBS        SBS        OBS       
Angle Type Number
          19
Angle Style
           1
Angle Coefficients
    0.1129700000E+03
    0.3099814256E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
SBS        CBS        CT2       
Angle Type Number
          20
Angle Style
           1
Angle Coefficients
    0.1117700000E+03
    0.2264474700E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HBS        CBS        CT2       
Angle Type Number
          21
Angle Style
           1
Angle Coefficients
    0.1087900000E+03
    0.2264474700E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HA2        CT2        CBS       
Angle Type Number
          22
Angle Style
           1
Angle Coefficients
    0.1062000000E+03
    0.1761258100E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HA2        CT2        HA2       
Angle Type Number
          23
Angle Style
           1
Angle Coefficients
    0.1095900000E+03
    0.2264474700E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HA2        CT2        CT2       
Angle Type Number
          24
Angle Style
           1
Angle Coefficients
    0.1132300000E+03
    0.2687176644E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
CBS        CT2        CT2       
Angle Type Number
          25
Angle Style
           1
Angle Coefficients
    0.1093300000E+03
    0.2264474700E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HA2        CT2        CT3       
Angle Type Number
          26
Angle Style
           1
Angle Coefficients
    0.1112600000E+03
    0.2264474700E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HA3        CT3        CT2       
Angle Type Number
          27
Angle Style
           1
Angle Coefficients
    0.1076200000E+03
    0.1761258100E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HA3        CT3        HA3       
Angle Type Number
          28
Angle Style
           1
Angle Coefficients
    0.1131400000E+03
    0.2687176644E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
CT3        CT2        CT2       
Angle Type Number
          29
Angle Style
           1
Angle Coefficients
    0.9710000000E+02
    0.2918656280E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
C1PR       P3         C1PR      
Angle Type Number
          30
Angle Style
           1
Angle Coefficients
    0.1086000000E+03
    0.2918656280E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
C1P        P3         C1P       
Angle Type Number
          31
Angle Style
           1
Angle Coefficients
    0.1128000000E+03
    0.2918656280E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
C1P        P3         C1PR      
Angle Type Number
          32
Angle Style
           1
Angle Coefficients
    0.1042000000E+03
    0.2767691300E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
P3         C1PR       C2R       
Angle Type Number
          33
Angle Style
           1
Angle Coefficients
    0.1098000000E+03
    0.2113509720E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
P3         C1PR       H1        
Angle Type Number
          34
Angle Style
           1
Angle Coefficients
    0.1084000000E+03
    0.2113509720E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
P3         C1P        H1        
Angle Type Number
          35
Angle Style
           1
Angle Coefficients
    0.1152000000E+03
    0.2767691300E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
P3         C1P        CT        
Angle Type Number
          36
Angle Style
           1
Angle Coefficients
    0.1079000000E+03
    0.3371551220E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
C1PR       C2R        C2R       
Angle Type Number
          37
Angle Style
           1
Angle Coefficients
    0.1126000000E+03
    0.2264474700E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
H1         C1PR       C2R       
Angle Type Number
          38
Angle Style
           1
Angle Coefficients
    0.1087000000E+03
    0.1761258100E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
H1         C1PR       H1        
Angle Type Number
          39
Angle Style
           1
Angle Coefficients
    0.1085000000E+03
    0.1761258100E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
H1         C1P        H1        
Angle Type Number
          40
Angle Style
           1
Angle Coefficients
    0.1101000000E+03
    0.2264474700E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HC         C2R        C1PR      
Angle Type Number
          41
Angle Style
           1
Angle Coefficients
    0.1109000000E+03
    0.2264474700E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HC         C2R        C2R       
Angle Type Number
          42
Angle Style
           1
Angle Coefficients
    0.1070000000E+03
    0.1761258100E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HC         C2R        HC        
Angle Type Number
          43
Angle Style
           1
Angle Coefficients
    0.1110000000E+03
    0.2264474700E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
H1         C1P        CT        
Angle Type Number
          44
Angle Style
           1
Angle Coefficients
    0.1111000000E+03
    0.2264474700E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HC         CT         C1P       
Angle Type Number
          45
Angle Style
           1
Angle Coefficients
    0.1078000000E+03
    0.1761258100E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HC         CT         HC        
Angle Type Number
          46
Angle Style
           1
Angle Coefficients
    0.1799999000E+03
    0.1509649800E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
NC         CN         CCM       
Angle Type Number
          47
Angle Style
           1
Angle Coefficients
    0.1200000000E+03
    0.2214153040E+05
Angle Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
CN         CCM        CN        
Number of Torsion Terms
          31
Torsion Type Number
           1
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           1
Torsion Coefficients
    0.7045032400E+04
    0.2000000000E+01
    0.3141592654E+01
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           3
Atom Names
NR1        CPH1       CPH1       NR1       
CPH1       NR1        CPH2       NR1       
CPH1       CPH1       NR1        CPH2      
Torsion Type Number
           2
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           1
Torsion Coefficients
    0.1509649800E+04
    0.2000000000E+01
    0.3141592654E+01
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           3
Atom Names
HR3        CPH1       CPH1       NR1       
CPH1       NR1        CPH2       HR1       
HR3        CPH1       NR1        CPH2      
Torsion Type Number
           3
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           1
Torsion Coefficients
    0.1006433200E+04
    0.2000000000E+01
    0.3141592654E+01
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HR3        CPH1       CPH1       HR3       
Torsion Type Number
           4
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           1
Torsion Coefficients
    0.0000000000E+00
    0.1000000000E+01
    0.0000000000E+00
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           6
Atom Names
CN7B       NR1        CPH2       NR1       
CN7B       NR1        CPH2       HR1       
CPH1       CPH1       NR1        CN7B      
HR3        CPH1       NR1        CN7B      
HR3        CPH1       NR1        CN7B      
CPH1       NR1        CN7B       HN7       
Torsion Type Number
           5
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           1
Torsion Coefficients
    0.9812723700E+02
    0.2000000000E+01
    0.3141592654E+01
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
CPH2       NR1        CN7B       HN7       
Torsion Type Number
           6
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           1
Torsion Coefficients
    0.5032166000E+02
    0.3000000000E+01
    0.3141592654E+01
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
CPH2       NR1        CN7B       CT3I      
Torsion Type Number
           7
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           1
Torsion Coefficients
    0.1006433200E+03
    0.4000000000E+01
    0.0000000000E+00
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
CPH1       NR1        CN7B       CT3I      
Torsion Type Number
           8
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           1
Torsion Coefficients
    0.0000000000E+00
    0.3000000000E+01
    0.0000000000E+00
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HA         CT3I       CN7B       NR1       
Torsion Type Number
           9
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           1
Torsion Coefficients
    0.9812723700E+02
    0.3000000000E+01
    0.0000000000E+00
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HA         CT3I       CN7B       HN7       
Torsion Type Number
          10
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           1
Torsion Coefficients
    0.8846547828E+02
    0.3000000000E+01
    0.0000000000E+00
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
OBS        SBS        CBS        HBS       
Torsion Type Number
          11
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           1
Torsion Coefficients
    0.9878141858E+02
    0.3000000000E+01
    0.0000000000E+00
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
OBS        SBS        CBS        CT2       
Torsion Type Number
          12
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           1
Torsion Coefficients
    0.7749535640E+02
    0.3000000000E+01
    0.0000000000E+00
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HA2        CT2        CBS        HBS       
Torsion Type Number
          13
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           1
Torsion Coefficients
    0.5137841486E+02
    0.3000000000E+01
    0.0000000000E+00
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HA2        CT2        CBS        SBS       
Torsion Type Number
          14
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           1
Torsion Coefficients
    0.9269249772E+02
    0.3000000000E+01
    0.0000000000E+00
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           2
Atom Names
CT2        CT2        CBS        HBS       
HA3        CT3        CT2        CT2       
Torsion Type Number
          15
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           3
Torsion Coefficients
   -0.8196391981E+03
    0.1000000000E+01
    0.0000000000E+00
   -0.1431148010E+03
    0.2000000000E+01
    0.3141592654E+01
    0.5233452640E+02
    0.3000000000E+01
    0.0000000000E+00
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
CT2        CT2        CBS        SBS       
Torsion Type Number
          16
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           1
Torsion Coefficients
    0.7749535640E+02
    0.3000000000E+01
    0.0000000000E+00
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           2
Atom Names
HA2        CT2        CT2        HA2       
HA3        CT3        CT2        HA2       
Torsion Type Number
          17
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           1
Torsion Coefficients
    0.9269249772E+02
    0.3000000000E+01
    0.0000000000E+00
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           2
Atom Names
HA2        CT2        CT2        CBS       
CT3        CT2        CT2        HA2       
Torsion Type Number
          18
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           4
Torsion Coefficients
    0.2625784219E+03
    0.1000000000E+01
    0.0000000000E+00
   -0.4156569116E+02
    0.2000000000E+01
    0.3141592654E+01
    0.1007439633E+03
    0.3000000000E+01
    0.0000000000E+00
   -0.6783359768E+02
    0.4000000000E+01
    0.3141592654E+01
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
CT3        CT2        CT2        CBS       
Torsion Type Number
          19
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           1
Torsion Coefficients
    0.6813552764E+02
    0.3000000000E+01
    0.0000000000E+00
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           2
Atom Names
C2R        C1PR       P3         C1PR      
C2R        C1PR       P3         C1P       
Torsion Type Number
          20
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           1
Torsion Coefficients
    0.5575639928E+02
    0.3000000000E+01
    0.0000000000E+00
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           2
Atom Names
H1         C1PR       P3         C1PR      
H1         C1PR       P3         C1P       
Torsion Type Number
          21
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           3
Torsion Coefficients
   -0.1953486841E+03
    0.1000000000E+01
    0.0000000000E+00
    0.5942988046E+02
    0.2000000000E+01
    0.3141592654E+01
   -0.4297469764E+02
    0.3000000000E+01
    0.0000000000E+00
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
C2R        C2R        C1PR       P3        
Torsion Type Number
          22
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           1
Torsion Coefficients
    0.9208863780E+02
    0.3000000000E+01
    0.0000000000E+00
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
C2R        C2R        C1PR       H1        
Torsion Type Number
          23
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           1
Torsion Coefficients
    0.2797884296E+02
    0.3000000000E+01
    0.0000000000E+00
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HC         C2R        C1PR       P3        
Torsion Type Number
          24
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           1
Torsion Coefficients
    0.8001143940E+02
    0.3000000000E+01
    0.0000000000E+00
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HC         C2R        C1PR       H1        
Torsion Type Number
          25
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           3
Torsion Coefficients
    0.4377984420E+03
    0.1000000000E+01
    0.0000000000E+00
   -0.3950250310E+02
    0.2000000000E+01
    0.3141592654E+01
    0.7019871570E+02
    0.3000000000E+01
    0.0000000000E+00
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
C1PR       C2R        C2R        C1PR      
Torsion Type Number
          26
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           1
Torsion Coefficients
    0.9208863780E+02
    0.3000000000E+01
    0.0000000000E+00
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HC         C2R        C2R        C1PR      
Torsion Type Number
          27
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           1
Torsion Coefficients
    0.8001143940E+02
    0.3000000000E+01
    0.0000000000E+00
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           2
Atom Names
HC         C2R        C2R        HC        
HC         CT         C1P        H1        
Torsion Type Number
          28
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           1
Torsion Coefficients
    0.6813552764E+02
    0.3000000000E+01
    0.0000000000E+00
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           2
Atom Names
CT         C1P        P3         C1P       
CT         C1P        P3         C1PR      
Torsion Type Number
          29
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           1
Torsion Coefficients
    0.5575639928E+02
    0.3000000000E+01
    0.0000000000E+00
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           2
Atom Names
H1         C1P        P3         C1P       
H1         C1P        P3         C1PR      
Torsion Type Number
          30
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           1
Torsion Coefficients
    0.2797884296E+02
    0.3000000000E+01
    0.0000000000E+00
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
HC         CT         C1P        P3        
Torsion Type Number
          31
Torsion Style
           3
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Number of Torsion Loops
           1
Torsion Coefficients
    0.0000000000E+00
    0.2000000000E+01
    0.3141592654E+01
Torsion Order
wild           
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
NC         CN         CCM        CN        
Number of Improper Terms
           3
Improper Type Number
           1
Improper Form
           2
Improper Style
           1
Improper Coefficients
    0.2516083000E+03
    0.0000000000E+00
Force Field Name
devel     
Number of Atoms with Same Parameters  
           2
Atom Names
CPH2       NR1        NR1        HR1       
CPH1       CPH1       NR1        HR3       
Improper Type Number
           2
Improper Form
           2
Improper Style
           1
Improper Coefficients
    0.3019299600E+03
    0.0000000000E+00
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
NR1        CPH1       CPH2       CN7B      
Improper Type Number
           3
Improper Form
           2
Improper Style
           1
Improper Coefficients
    0.1343588322E+05
    0.0000000000E+00
Force Field Name
devel     
Number of Atoms with Same Parameters  
           1
Atom Names
CCM        CN         CN         CN        
Number of Angle-Angle Terms
           0
Number of One-Five Types
           0
Number of Bond Increments
           0
