towhee_ff Version
          14
Number of Nonbonded Types
         241
Potential Type
Hard 2580 Multistep           
Classical Mixrule
Lorentz-Berthelot             
Atom Type Number
           1
Nonbond Coefficients
    0.1000000000E+02
   -0.1560000000E+03
   -0.1040000000E+03
   -0.5200000000E+02
    0.0000000000E+00
    0.1000000000E+01
Mass
    0.1402690029E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
Tang      
    0    0
    0    0
    0    0
Atom Type Number
           2
Nonbond Coefficients
    0.3674000025E+01
   -0.1520000000E+03
   -0.1015000000E+03
   -0.5109999847E+02
   -0.6000000238E+00
    0.0000000000E+00
Mass
    0.1604280090E+02
Element
 C
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
CH4       
    0    1
    0    1
    0    1
Atom Type Number
           3
Nonbond Coefficients
    0.3369999886E+01
   -0.1185000000E+03
   -0.7940000153E+02
   -0.4040000153E+02
   -0.1299999952E+01
    0.0000000000E+00
Mass
    0.3994800186E+02
Element
Ar
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
Ar        
    0    2
    0    2
    0    2
Atom Type Number
           4
Nonbond Coefficients
    0.3349999905E+01
   -0.3130000000E+03
   -0.2091999969E+03
   -0.1053000031E+03
   -0.1500000000E+01
    0.0000000000E+00
Mass
    0.1703059959E+02
Element
 N
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
NH3       
    0    3
    0    3
    0    3
Atom Type Number
           5
Nonbond Coefficients
    0.3740000010E+01
   -0.2850000000E+03
   -0.1773000031E+03
   -0.9109999847E+02
   -0.7400000095E+01
    0.0000000000E+00
Mass
    0.3407580185E+02
Element
 S
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
H2S       
    0    4
    0    4
    0    4
Atom Type Number
           6
Nonbond Coefficients
    0.2849999905E+01
   -0.3500000000E+02
   -0.2850000000E+02
   -0.2210000038E+02
   -0.1560000038E+02
    0.6040000170E-01
Mass
    0.1599940014E+02
Element
 O
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
O=        
    0    5
    0    5
    0    5
Atom Type Number
           7
Nonbond Coefficients
    0.2200000048E+01
    0.2220000000E+03
    0.1478000031E+03
    0.7359999847E+02
   -0.6000000238E+00
    0.3709999844E-01
Mass
    0.1007900000E+01
Element
 H
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
H=        
    0    6
    0    6
    0    6
Atom Type Number
           8
Nonbond Coefficients
    0.2829999924E+01
   -0.1520000000E+03
   -0.1015000000E+03
   -0.5109999847E+02
   -0.6000000238E+00
    0.5640000105E-01
Mass
    0.1400529957E+02
Element
 C
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
CO        
    0    7
    0    7
    0    7
Atom Type Number
           9
Nonbond Coefficients
    0.2819999933E+01
   -0.1675000000E+03
   -0.1139000015E+03
   -0.6029999924E+02
   -0.6699999809E+01
    0.1159999967E+00
Mass
    0.3807180023E+02
Element
 C
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
c(=O)     
    0    8
    0    8
    0    8
Atom Type Number
          10
Nonbond Coefficients
    0.2640000105E+01
   -0.2979999924E+02
   -0.2689999962E+02
   -0.2410000038E+02
   -0.2120000076E+02
    0.7090000063E-01
Mass
    0.1899839973E+02
Element
 F
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
F=?       
    0    9
    0    9
    0    9
Atom Type Number
          11
Nonbond Coefficients
    0.3256000042E+01
   -0.1281000061E+03
   -0.9900000000E+02
   -0.6980000305E+02
   -0.4070000076E+02
    0.9939999878E-01
Mass
    0.3545270157E+02
Element
Cl
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
Cl=?      
    0   10
    0   10
    0   10
Atom Type Number
          12
Nonbond Coefficients
    0.2700000107E+00
   -0.2500000000E+04
   -0.2500000000E+04
   -0.2500000000E+04
   -0.2500000000E+04
    0.2700000070E-01
Mass
    0.1000000000E+01
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
2BD-      
    0   11
    0   11
    0   11
Atom Type Number
          13
Nonbond Coefficients
    0.2700000107E+00
   -0.2500000000E+04
   -0.2500000000E+04
   -0.2500000000E+04
   -0.2500000000E+04
    0.2700000070E-01
Mass
    0.1000000000E+01
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
4BD-      
    0   12
    0   12
    0   12
Atom Type Number
          14
Nonbond Coefficients
    0.2700000107E+00
   -0.2500000000E+04
   -0.2500000000E+04
   -0.2500000000E+04
   -0.2500000000E+04
    0.2700000070E-01
Mass
    0.1000000000E+01
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
2BA-      
    0   13
    0   13
    0   13
Atom Type Number
          15
Nonbond Coefficients
    0.2700000107E+00
   -0.2500000000E+04
   -0.2500000000E+04
   -0.2500000000E+04
   -0.2500000000E+04
    0.2700000070E-01
Mass
    0.1000000000E+01
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
4BA-      
    0   14
    0   14
    0   14
Atom Type Number
          16
Nonbond Coefficients
    0.2700000107E+00
   -0.2500000000E+04
   -0.2500000000E+04
   -0.2500000000E+04
   -0.2500000000E+04
    0.2700000070E-01
Mass
    0.1000000000E+01
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
D-        
    0   15
    0   15
    0   15
Atom Type Number
          17
Nonbond Coefficients
    0.3630000114E+01
   -0.9090000153E+02
   -0.6600000000E+02
   -0.4109999847E+02
   -0.1620000076E+02
    0.7699999958E-01
Mass
    0.1503489971E+02
Element
 C
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
CH3a-     
    1    1
    1    1
    1    1
Atom Type Number
          18
Nonbond Coefficients
    0.3630000114E+01
   -0.5009999847E+02
   -0.4270000076E+02
   -0.3540000153E+02
   -0.2800000000E+02
    0.7699999958E-01
Mass
    0.1503489971E+02
Element
 C
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
CH3b-     
    1    2
    1    2
    1    2
Atom Type Number
          19
Nonbond Coefficients
    0.3630000114E+01
   -0.3790000153E+02
   -0.3759999847E+02
   -0.3720000076E+02
   -0.3690000153E+02
    0.7699999958E-01
Mass
    0.1503489971E+02
Element
 C
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
CH3c-     
    1    3
    1    3
    1    3
Atom Type Number
          20
Nonbond Coefficients
    0.3630000114E+01
   -0.4300000000E+02
   -0.4229999924E+02
   -0.4170000076E+02
   -0.4100000000E+02
    0.7699999958E-01
Mass
    0.1503489971E+02
Element
 C
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
CH3d-     
    1    4
    1    4
    1    4
Atom Type Number
          21
Nonbond Coefficients
    0.3630000114E+01
   -0.6950000000E+02
   -0.5500000000E+02
   -0.4050000000E+02
   -0.2600000000E+02
    0.7699999958E-01
Mass
    0.1503489971E+02
Element
 C
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
CH3e-     
    1    5
    1    5
    1    5
Atom Type Number
          22
Nonbond Coefficients
    0.3630000114E+01
   -0.1080000000E+03
   -0.7569999695E+02
   -0.4329999924E+02
   -0.1100000000E+02
    0.7699999958E-01
Mass
    0.1503489971E+02
Element
 C
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
CH3f-     
    1    6
    1    6
    1    6
Atom Type Number
          23
Nonbond Coefficients
    0.3630000114E+01
   -0.9090000153E+02
   -0.6600000000E+02
   -0.4109999847E+02
   -0.1620000076E+02
    0.7699999958E-01
Mass
    0.1503489971E+02
Element
 C
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
CH3g-     
    1    7
    1    7
    1    7
Atom Type Number
          24
Nonbond Coefficients
    0.3630000114E+01
   -0.9090000153E+02
   -0.6600000000E+02
   -0.4109999847E+02
   -0.1620000076E+02
    0.7699999958E-01
Mass
    0.1503489971E+02
Element
 C
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
CH3h-     
    1    8
    1    8
    1    8
Atom Type Number
          25
Nonbond Coefficients
    0.3630000114E+01
   -0.1220999985E+03
   -0.8319999695E+02
   -0.4420000076E+02
   -0.5300000191E+01
    0.7699999958E-01
Mass
    0.1503489971E+02
Element
 C
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
CH3i-     
    1    9
    1    9
    1    9
Atom Type Number
          26
Nonbond Coefficients
    0.3630000114E+01
   -0.1280000000E+03
   -0.8909999847E+02
   -0.5029999924E+02
   -0.1139999962E+02
    0.7699999958E-01
Mass
    0.1503489971E+02
Element
 C
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
CH3j-     
    1   10
    1   10
    1   10
Atom Type Number
          27
Nonbond Coefficients
    0.3630000114E+01
   -0.9090000153E+02
   -0.6600000000E+02
   -0.4109999847E+02
   -0.1620000076E+02
    0.7699999958E-01
Mass
    0.1503489971E+02
Element
 C
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
CH3k-     
    1   11
    1   11
    1   11
Atom Type Number
          28
Nonbond Coefficients
    0.3630000114E+01
   -0.4700000000E+02
   -0.4379999924E+02
   -0.4050000000E+02
   -0.3729999924E+02
    0.7699999958E-01
Mass
    0.1503489971E+02
Element
 C
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
CH3l-     
    1   12
    1   12
    1   12
Atom Type Number
          29
Nonbond Coefficients
    0.3630000114E+01
   -0.9100000000E+02
   -0.6600000000E+02
   -0.4100000000E+02
   -0.1600000000E+02
    0.7699999958E-01
Mass
    0.1503489971E+02
Element
 C
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
CH3m-     
    1   13
    1   13
    1   13
Atom Type Number
          30
Nonbond Coefficients
    0.3630000114E+01
   -0.3500000000E+02
   -0.3470000076E+02
   -0.3429999924E+02
   -0.3400000000E+02
    0.7699999958E-01
Mass
    0.1503489971E+02
Element
 C
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
CH3n-     
    1   14
    1   14
    1   14
Atom Type Number
          31
Nonbond Coefficients
    0.3630000114E+01
   -0.3800000000E+02
   -0.3509999847E+02
   -0.3209999847E+02
   -0.2920000076E+02
    0.7699999958E-01
Mass
    0.1503489971E+02
Element
 C
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
CH3o-     
    1   15
    1   15
    1   15
Atom Type Number
          32
Nonbond Coefficients
    0.3630000114E+01
   -0.4700000000E+02
   -0.4700000000E+02
   -0.4700000000E+02
   -0.4700000000E+02
    0.7699999958E-01
Mass
    0.1503489971E+02
Element
 C
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
CH3p-     
    1   16
    1   16
    1   16
Atom Type Number
          33
Nonbond Coefficients
    0.3630000114E+01
   -0.7000000000E+02
   -0.5800000000E+02
   -0.4600000000E+02
   -0.3400000000E+02
    0.7699999958E-01
Mass
    0.1503489971E+02
Element
 C
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
CH3q-     
    1   17
    1   17
    1   17
Atom Type Number
          34
Nonbond Coefficients
    0.3630000114E+01
   -0.6950000000E+02
   -0.5870000076E+02
   -0.4779999924E+02
   -0.3700000000E+02
    0.7699999958E-01
Mass
    0.1503489971E+02
Element
 C
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
CH3r-     
    1   18
    1   18
    1   18
Atom Type Number
          35
Nonbond Coefficients
    0.3630000114E+01
   -0.9090000153E+02
   -0.6600000000E+02
   -0.4109999847E+02
   -0.1620000076E+02
    0.7699999958E-01
Mass
    0.1503489971E+02
Element
 C
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
CH3s-     
    1   19
    1   19
    1   19
Atom Type Number
          36
Nonbond Coefficients
    0.3630000114E+01
   -0.9090000153E+02
   -0.6600000000E+02
   -0.4109999847E+02
   -0.1620000076E+02
    0.7699999958E-01
Mass
    0.1503489971E+02
Element
 C
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
CH3t-     
    1   20
    1   20
    1   20
Atom Type Number
          37
Nonbond Coefficients
    0.3630000114E+01
   -0.9090000153E+02
   -0.6600000000E+02
   -0.4109999847E+02
   -0.1620000076E+02
    0.7699999958E-01
Mass
    0.1503489971E+02
Element
 C
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
CH3u-     
    1   21
    1   21
    1   21
Atom Type Number
          38
Nonbond Coefficients
    0.3630000114E+01
   -0.1140000000E+03
   -0.7819999695E+02
   -0.4240000153E+02
   -0.6550000191E+01
    0.7699999958E-01
Mass
    0.1503489971E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
CH3v-     
    1   22
    1   22
    1   22
Atom Type Number
          39
Nonbond Coefficients
    0.3569999933E+01
   -0.2560000038E+02
   -0.2489999962E+02
   -0.2420000076E+02
   -0.2350000000E+02
    0.7699999958E-01
Mass
    0.1402690029E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH2      
    2    1
    2    1
    2    1
Atom Type Number
          40
Nonbond Coefficients
    0.3569999933E+01
   -0.3290000153E+02
   -0.2850000000E+02
   -0.2400000000E+02
   -0.1960000038E+02
    0.7699999958E-01
Mass
    0.1402690029E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH2      
    2    2
    2    2
    2    2
Atom Type Number
          41
Nonbond Coefficients
    0.3569999933E+01
   -0.2560000038E+02
   -0.2489999962E+02
   -0.2420000076E+02
   -0.2350000000E+02
    0.7699999958E-01
Mass
    0.1402690029E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH2      
    2    3
    2    3
    2    3
Atom Type Number
          42
Nonbond Coefficients
    0.3569999933E+01
   -0.2560000038E+02
   -0.2489999962E+02
   -0.2420000076E+02
   -0.2350000000E+02
    0.7699999958E-01
Mass
    0.1402690029E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH2      
    2    4
    2    4
    2    4
Atom Type Number
          43
Nonbond Coefficients
    0.3569999933E+01
   -0.3309999847E+02
   -0.3029999924E+02
   -0.2739999962E+02
   -0.2460000038E+02
    0.7699999958E-01
Mass
    0.1402690029E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH2      
    2    5
    2    5
    2    5
Atom Type Number
          44
Nonbond Coefficients
    0.3619999886E+01
   -0.2200000000E+02
   -0.2100000000E+02
   -0.2000000000E+02
   -0.1900000000E+02
    0.7699999958E-01
Mass
    0.1402690029E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH2      
    2    6
    2    6
    2    6
Atom Type Number
          45
Nonbond Coefficients
    0.3569999933E+01
   -0.2560000038E+02
   -0.2489999962E+02
   -0.2420000076E+02
   -0.2350000000E+02
    0.7699999958E-01
Mass
    0.1402690029E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH2      
    2    7
    2    7
    2    7
Atom Type Number
          46
Nonbond Coefficients
    0.3569999933E+01
   -0.2500000000E+02
   -0.2300000000E+02
   -0.2100000000E+02
   -0.1900000000E+02
    0.7699999958E-01
Mass
    0.1402690029E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH2      
    2    8
    2    8
    2    8
Atom Type Number
          47
Nonbond Coefficients
    0.3569999933E+01
   -0.3000000000E+02
   -0.2700000000E+02
   -0.2400000000E+02
   -0.2100000000E+02
    0.7699999958E-01
Mass
    0.1402690029E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH2      
    2    9
    2    9
    2    9
Atom Type Number
          48
Nonbond Coefficients
    0.3569999933E+01
   -0.4679999924E+02
   -0.4209999847E+02
   -0.3750000000E+02
   -0.3279999924E+02
    0.7699999958E-01
Mass
    0.1402690029E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH2      
    2   10
    2   10
    2   10
Atom Type Number
          49
Nonbond Coefficients
    0.3569999933E+01
   -0.3600000000E+02
   -0.2870000076E+02
   -0.2129999924E+02
   -0.1400000000E+02
    0.7699999958E-01
Mass
    0.1402690029E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH2      
    2   11
    2   11
    2   11
Atom Type Number
          50
Nonbond Coefficients
    0.3569999933E+01
   -0.3309999847E+02
   -0.3029999924E+02
   -0.2739999962E+02
   -0.2460000038E+02
    0.7699999958E-01
Mass
    0.1402690029E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH2      
    2   12
    2   12
    2   12
Atom Type Number
          51
Nonbond Coefficients
    0.3569999933E+01
   -0.2500000000E+02
   -0.2470000076E+02
   -0.2429999924E+02
   -0.2400000000E+02
    0.7699999958E-01
Mass
    0.1402690029E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH2      
    2   13
    2   13
    2   13
Atom Type Number
          52
Nonbond Coefficients
    0.3569999933E+01
   -0.3309999847E+02
   -0.3029999924E+02
   -0.2739999962E+02
   -0.2460000038E+02
    0.7699999958E-01
Mass
    0.1402690029E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH2      
    2   14
    2   14
    2   14
Atom Type Number
          53
Nonbond Coefficients
    0.3569999933E+01
   -0.2100000000E+02
   -0.2100000000E+02
   -0.2100000000E+02
   -0.2100000000E+02
    0.7699999958E-01
Mass
    0.1402690029E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH2      
    2   15
    2   15
    2   15
Atom Type Number
          54
Nonbond Coefficients
    0.3569999933E+01
   -0.3200000000E+02
   -0.3200000000E+02
   -0.3200000000E+02
   -0.3200000000E+02
    0.7699999958E-01
Mass
    0.1402690029E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH2      
    2   16
    2   16
    2   16
Atom Type Number
          55
Nonbond Coefficients
    0.3619999886E+01
   -0.5500000000E+02
   -0.3270000076E+02
   -0.3229999924E+02
   -0.3500000000E+01
    0.7699999958E-01
Mass
    0.1402690029E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH2      
    2   17
    2   17
    2   17
Atom Type Number
          56
Nonbond Coefficients
    0.3569999933E+01
   -0.2560000038E+02
   -0.2489999962E+02
   -0.2420000076E+02
   -0.2350000000E+02
    0.7699999958E-01
Mass
    0.1402690029E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH2      
    2   18
    2   18
    2   18
Atom Type Number
          57
Nonbond Coefficients
    0.3569999933E+01
   -0.3000000000E+02
   -0.2700000000E+02
   -0.2400000000E+02
   -0.2100000000E+02
    0.7699999958E-01
Mass
    0.1402690029E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH2      
    2   19
    2   19
    2   19
Atom Type Number
          58
Nonbond Coefficients
    0.3569999933E+01
   -0.2560000038E+02
   -0.2489999962E+02
   -0.2420000076E+02
   -0.2350000000E+02
    0.7699999958E-01
Mass
    0.1402690029E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH2      
    2   20
    2   20
    2   20
Atom Type Number
          59
Nonbond Coefficients
    0.3569999933E+01
   -0.2560000038E+02
   -0.2489999962E+02
   -0.2420000076E+02
   -0.2350000000E+02
    0.7699999958E-01
Mass
    0.1402690029E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH2      
    2   21
    2   21
    2   21
Atom Type Number
          60
Nonbond Coefficients
    0.3569999933E+01
   -0.2560000038E+02
   -0.2489999962E+02
   -0.2420000076E+02
   -0.2350000000E+02
    0.7699999958E-01
Mass
    0.1402690029E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH2      
    2   22
    2   22
    2   22
Atom Type Number
          61
Nonbond Coefficients
    0.3900000095E+01
   -0.6800000191E+01
   -0.6400000095E+01
   -0.6099999905E+01
   -0.5699999809E+01
    0.7699999958E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH-      
    3    1
    3    1
    3    1
Atom Type Number
          62
Nonbond Coefficients
    0.3900000095E+01
   -0.1330000019E+02
   -0.1189999962E+02
   -0.1050000000E+02
   -0.9100000381E+01
    0.7699999958E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH-      
    3    2
    3    2
    3    2
Atom Type Number
          63
Nonbond Coefficients
    0.3900000095E+01
   -0.3150000000E+02
   -0.2250000000E+02
   -0.1339999962E+02
   -0.4400000095E+01
    0.7699999958E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH-      
    3    3
    3    3
    3    3
Atom Type Number
          64
Nonbond Coefficients
    0.3900000095E+01
   -0.3150000000E+02
   -0.2250000000E+02
   -0.1339999962E+02
   -0.4400000095E+01
    0.7699999958E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH-      
    3    4
    3    4
    3    4
Atom Type Number
          65
Nonbond Coefficients
    0.3900000095E+01
   -0.4029999924E+02
   -0.3620000076E+02
   -0.3209999847E+02
   -0.2800000000E+02
    0.7699999958E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH-      
    3    5
    3    5
    3    5
Atom Type Number
          66
Nonbond Coefficients
    0.3900000095E+01
   -0.1800000000E+02
   -0.1419999981E+02
   -0.1030000019E+02
   -0.6500000000E+01
    0.7699999958E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH-      
    3    6
    3    6
    3    6
Atom Type Number
          67
Nonbond Coefficients
    0.3900000095E+01
   -0.3150000000E+02
   -0.2250000000E+02
   -0.1339999962E+02
   -0.4400000095E+01
    0.7699999958E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH-      
    3    7
    3    7
    3    7
Atom Type Number
          68
Nonbond Coefficients
    0.3900000095E+01
   -0.2200000000E+02
   -0.1870000076E+02
   -0.1530000019E+02
   -0.1200000000E+02
    0.7699999958E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH-      
    3    8
    3    8
    3    8
Atom Type Number
          69
Nonbond Coefficients
    0.3900000095E+01
   -0.3150000000E+02
   -0.2250000000E+02
   -0.1339999962E+02
   -0.4400000095E+01
    0.7699999958E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH-      
    3    9
    3    9
    3    9
Atom Type Number
          70
Nonbond Coefficients
    0.3900000095E+01
   -0.3150000000E+02
   -0.2250000000E+02
   -0.1339999962E+02
   -0.4400000095E+01
    0.7699999958E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH-      
    3   10
    3   10
    3   10
Atom Type Number
          71
Nonbond Coefficients
    0.3900000095E+01
   -0.3150000000E+02
   -0.2250000000E+02
   -0.1339999962E+02
   -0.4400000095E+01
    0.7699999958E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH-      
    3   11
    3   11
    3   11
Atom Type Number
          72
Nonbond Coefficients
    0.3900000095E+01
   -0.3150000000E+02
   -0.2250000000E+02
   -0.1339999962E+02
   -0.4400000095E+01
    0.7699999958E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH-      
    3   12
    3   12
    3   12
Atom Type Number
          73
Nonbond Coefficients
    0.3900000095E+01
   -0.3150000000E+02
   -0.2250000000E+02
   -0.1339999962E+02
   -0.4400000095E+01
    0.7699999958E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH-      
    3   13
    3   13
    3   13
Atom Type Number
          74
Nonbond Coefficients
    0.3900000095E+01
   -0.3150000000E+02
   -0.2250000000E+02
   -0.1339999962E+02
   -0.4400000095E+01
    0.7699999958E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH-      
    3   14
    3   14
    3   14
Atom Type Number
          75
Nonbond Coefficients
    0.3900000095E+01
   -0.3150000000E+02
   -0.2250000000E+02
   -0.1339999962E+02
   -0.4400000095E+01
    0.7699999958E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH-      
    3   15
    3   15
    3   15
Atom Type Number
          76
Nonbond Coefficients
    0.3900000095E+01
   -0.3150000000E+02
   -0.2250000000E+02
   -0.1339999962E+02
   -0.4400000095E+01
    0.7699999958E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH-      
    3   16
    3   16
    3   16
Atom Type Number
          77
Nonbond Coefficients
    0.3900000095E+01
   -0.3150000000E+02
   -0.2250000000E+02
   -0.1339999962E+02
   -0.4400000095E+01
    0.7699999958E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH-      
    3   17
    3   17
    3   17
Atom Type Number
          78
Nonbond Coefficients
    0.3900000095E+01
   -0.3150000000E+02
   -0.2250000000E+02
   -0.1339999962E+02
   -0.4400000095E+01
    0.7699999958E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH-      
    3   18
    3   18
    3   18
Atom Type Number
          79
Nonbond Coefficients
    0.3900000095E+01
   -0.3150000000E+02
   -0.2250000000E+02
   -0.1339999962E+02
   -0.4400000095E+01
    0.7699999958E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH-      
    3   19
    3   19
    3   19
Atom Type Number
          80
Nonbond Coefficients
    0.3900000095E+01
   -0.3150000000E+02
   -0.2250000000E+02
   -0.1339999962E+02
   -0.4400000095E+01
    0.7699999958E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>CH-      
    3   20
    3   20
    3   20
Atom Type Number
          81
Nonbond Coefficients
    0.3424999952E+01
   -0.8500000000E+01
   -0.8000000000E+01
   -0.7599999905E+01
   -0.7099999905E+01
    0.7699999958E-01
Mass
    0.1201119995E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>C<       
    4    1
    4    1
    4    1
Atom Type Number
          82
Nonbond Coefficients
    0.3424999952E+01
   -0.8500000000E+01
   -0.8000000000E+01
   -0.7599999905E+01
   -0.7099999905E+01
    0.7699999958E-01
Mass
    0.1201119995E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>C<       
    4    2
    4    2
    4    2
Atom Type Number
          83
Nonbond Coefficients
    0.3424999952E+01
   -0.8500000000E+01
   -0.8000000000E+01
   -0.7599999905E+01
   -0.7099999905E+01
    0.7699999958E-01
Mass
    0.1201119995E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>C<       
    4    3
    4    3
    4    3
Atom Type Number
          84
Nonbond Coefficients
    0.3424999952E+01
   -0.8500000000E+01
   -0.8000000000E+01
   -0.7599999905E+01
   -0.7099999905E+01
    0.7699999958E-01
Mass
    0.1201119995E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>C<       
    4    4
    4    4
    4    4
Atom Type Number
          85
Nonbond Coefficients
    0.3424999952E+01
   -0.8500000000E+01
   -0.8000000000E+01
   -0.7599999905E+01
   -0.7099999905E+01
    0.7699999958E-01
Mass
    0.1201119995E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>C<       
    4    5
    4    5
    4    5
Atom Type Number
          86
Nonbond Coefficients
    0.3424999952E+01
   -0.8000000000E+01
   -0.7699999809E+01
   -0.7300000191E+01
   -0.7000000000E+01
    0.7699999958E-01
Mass
    0.1201119995E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>C<       
    4    6
    4    6
    4    6
Atom Type Number
          87
Nonbond Coefficients
    0.3424999952E+01
   -0.3100000000E+02
   -0.2789999962E+02
   -0.2479999924E+02
   -0.2170000076E+02
    0.7000000030E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
ACH       
    5    1
    5    1
    5    1
Atom Type Number
          88
Nonbond Coefficients
    0.3424999952E+01
   -0.5500000000E+02
   -0.4270000076E+02
   -0.3029999924E+02
   -0.1800000000E+02
    0.7000000030E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
ACH       
    5    2
    5    2
    5    2
Atom Type Number
          89
Nonbond Coefficients
    0.3424999952E+01
   -0.3100000000E+02
   -0.2729999924E+02
   -0.2370000076E+02
   -0.1100000000E+02
    0.7000000030E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
ACH       
    5    3
    5    3
    5    3
Atom Type Number
          90
Nonbond Coefficients
    0.3424999952E+01
   -0.3100000000E+02
   -0.3209999847E+02
   -0.2460000038E+02
   -0.2300000000E+02
    0.7000000030E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
ACH       
    5    4
    5    4
    5    4
Atom Type Number
          91
Nonbond Coefficients
    0.3424999952E+01
   -0.3100000000E+02
   -0.3209999847E+02
   -0.2460000038E+02
   -0.2170000076E+02
    0.7000000030E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
ACH       
    5    5
    5    5
    5    5
Atom Type Number
          92
Nonbond Coefficients
    0.3299999952E+01
   -0.1700000000E+02
   -0.1670000076E+02
   -0.1629999924E+02
   -0.1600000000E+02
    0.7000000030E-01
Mass
    0.1201119995E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
AC-       
    6    1
    6    1
    6    1
Atom Type Number
          93
Nonbond Coefficients
    0.3299999952E+01
   -0.1500000000E+02
   -0.1500000000E+02
   -0.1500000000E+02
   -0.1500000000E+02
    0.7000000030E-01
Mass
    0.1201119995E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
AC-       
    6    2
    6    2
    6    2
Atom Type Number
          94
Nonbond Coefficients
    0.3299999952E+01
   -0.3500000000E+02
   -0.2770000076E+02
   -0.2029999924E+02
   -0.1300000000E+02
    0.7000000030E-01
Mass
    0.1201119995E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
AC-       
    6    3
    6    3
    6    3
Atom Type Number
          95
Nonbond Coefficients
    0.3299999952E+01
   -0.3500000000E+02
   -0.2770000076E+02
   -0.2029999924E+02
   -0.1300000000E+02
    0.7000000030E-01
Mass
    0.1201119995E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
AC-       
    6    4
    6    4
    6    4
Atom Type Number
          96
Nonbond Coefficients
    0.3299999952E+01
   -0.2500000000E+02
   -0.2129999924E+02
   -0.1770000076E+02
   -0.1400000000E+02
    0.7000000030E-01
Mass
    0.1201119995E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
AC-       
    6    5
    6    5
    6    5
Atom Type Number
          97
Nonbond Coefficients
    0.3500000000E+01
   -0.7569999695E+02
   -0.5479000092E+02
   -0.3388999939E+02
   -0.1300000000E+02
    0.6700000167E-01
Mass
    0.1402700043E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
CH2=a     
    7    1
    7    1
    7    1
Atom Type Number
          98
Nonbond Coefficients
    0.3500000000E+01
   -0.9090000153E+02
   -0.6300000000E+02
   -0.3500000000E+02
   -0.7099999905E+01
    0.6700000167E-01
Mass
    0.1402700043E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
CH2=b     
    7    2
    7    2
    7    2
Atom Type Number
          99
Nonbond Coefficients
    0.3500000000E+01
   -0.6500000000E+02
   -0.5100000000E+02
   -0.3700000000E+02
   -0.2300000000E+02
    0.6700000167E-01
Mass
    0.1402700043E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
CH2=c     
    7    3
    7    3
    7    3
Atom Type Number
         100
Nonbond Coefficients
    0.3500000000E+01
   -0.6500000000E+02
   -0.5100000000E+02
   -0.3700000000E+02
   -0.2300000000E+02
    0.6700000167E-01
Mass
    0.1402700043E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
CH2=b     
    7    4
    7    4
    7    4
Atom Type Number
         101
Nonbond Coefficients
    0.3500000000E+01
   -0.6500000000E+02
   -0.5100000000E+02
   -0.3700000000E+02
   -0.2300000000E+02
    0.6700000167E-01
Mass
    0.1402700043E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
CH2=b     
    7    5
    7    5
    7    5
Atom Type Number
         102
Nonbond Coefficients
    0.3500000000E+01
   -0.2560000038E+02
   -0.2429999924E+02
   -0.2289999962E+02
   -0.2160000038E+02
    0.7050000131E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
=CH-      
    8    1
    8    1
    8    1
Atom Type Number
         103
Nonbond Coefficients
    0.3500000000E+01
   -0.4000000000E+02
   -0.3320000076E+02
   -0.2629999924E+02
   -0.1950000000E+02
    0.7050000131E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
=CH-      
    8    2
    8    2
    8    2
Atom Type Number
         104
Nonbond Coefficients
    0.3500000000E+01
   -0.2560000038E+02
   -0.2389999962E+02
   -0.2220000076E+02
   -0.2050000000E+02
    0.7000000030E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
=CH-      
    8    3
    8    3
    8    3
Atom Type Number
         105
Nonbond Coefficients
    0.3500000000E+01
   -0.2560000038E+02
   -0.2389999962E+02
   -0.2220000076E+02
   -0.2050000000E+02
    0.7000000030E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
=CH-      
    8    4
    8    4
    8    4
Atom Type Number
         106
Nonbond Coefficients
    0.3099999905E+01
   -0.2560000038E+02
   -0.2389999962E+02
   -0.2220000076E+02
   -0.2250000000E+02
    0.7000000030E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
=CH-      
    8    5
    8    5
    8    5
Atom Type Number
         107
Nonbond Coefficients
    0.3500000000E+01
   -0.2560000038E+02
   -0.2389999962E+02
   -0.2220000076E+02
   -0.2250000000E+02
    0.7000000030E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
=CH-      
    8    6
    8    6
    8    6
Atom Type Number
         108
Nonbond Coefficients
    0.3450000048E+01
   -0.7319999695E+02
   -0.5659999847E+02
   -0.3990000153E+02
   -0.2329999924E+02
    0.6700000167E-01
Mass
    0.1201119995E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
=C<       
    9    1
    9    1
    9    1
Atom Type Number
         109
Nonbond Coefficients
    0.3450000048E+01
   -0.6099999905E+01
   -0.5199999809E+01
   -0.4199999809E+01
   -0.3299999952E+01
    0.6700000167E-01
Mass
    0.1201119995E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
=C<       
    9    2
    9    2
    9    2
Atom Type Number
         110
Nonbond Coefficients
    0.3450000048E+01
   -0.1400000000E+02
   -0.1200000000E+02
   -0.1000000000E+02
   -0.8000000000E+01
    0.6700000167E-01
Mass
    0.1201119995E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
=C<       
    9    3
    9    3
    9    3
Atom Type Number
         111
Nonbond Coefficients
    0.3450000048E+01
   -0.1080000019E+02
   -0.7400000095E+01
   -0.4000000000E+01
   -0.6000000238E+00
    0.6700000167E-01
Mass
    0.1201119995E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
=C<       
    9    4
    9    4
    9    4
Atom Type Number
         112
Nonbond Coefficients
    0.3450000048E+01
   -0.1080000019E+02
   -0.7400000095E+01
   -0.4000000000E+01
   -0.6000000238E+00
    0.6700000167E-01
Mass
    0.1201119995E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
=C<       
    9    5
    9    5
    9    5
Atom Type Number
         113
Nonbond Coefficients
    0.3450000048E+01
   -0.3300000000E+02
   -0.2439999962E+02
   -0.1580000019E+02
   -0.7199999809E+01
    0.6700000167E-01
Mass
    0.1201119995E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
=C=       
   10    1
   10    1
   10    1
Atom Type Number
         114
Nonbond Coefficients
    0.3450000048E+01
   -0.3300000000E+02
   -0.2439999962E+02
   -0.1580000019E+02
   -0.7199999809E+01
    0.6700000167E-01
Mass
    0.1201119995E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
=C=       
   10    2
   10    2
   10    2
Atom Type Number
         115
Nonbond Coefficients
    0.3450000048E+01
   -0.3300000000E+02
   -0.2439999962E+02
   -0.1580000019E+02
   -0.7199999809E+01
    0.6700000167E-01
Mass
    0.1201119995E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
=C=       
   10    3
   10    3
   10    3
Atom Type Number
         116
Nonbond Coefficients
    0.3450000048E+01
   -0.3300000000E+02
   -0.2439999962E+02
   -0.1580000019E+02
   -0.7199999809E+01
    0.6700000167E-01
Mass
    0.1201119995E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
=C=       
   10    4
   10    4
   10    4
Atom Type Number
         117
Nonbond Coefficients
    0.3450000048E+01
   -0.3300000000E+02
   -0.2439999962E+02
   -0.1580000019E+02
   -0.7199999809E+01
    0.6700000167E-01
Mass
    0.1201119995E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
=C=       
   10    5
   10    5
   10    5
Atom Type Number
         118
Nonbond Coefficients
    0.3299999952E+01
   -0.9991000366E+02
   -0.6780000305E+02
   -0.3559999847E+02
   -0.3500000000E+01
    0.5999999866E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
<CH       
   11    1
   11    1
   11    1
Atom Type Number
         119
Nonbond Coefficients
    0.3500000000E+01
   -0.1155999985E+03
   -0.8219999695E+02
   -0.4879999924E+02
   -0.1539999962E+02
    0.5999999866E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
<CH       
   11    2
   11    2
   11    2
Atom Type Number
         120
Nonbond Coefficients
    0.3500000000E+01
   -0.1155999985E+03
   -0.8219999695E+02
   -0.4879999924E+02
   -0.1539999962E+02
    0.5999999866E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
<CH       
   11    3
   11    3
   11    3
Atom Type Number
         121
Nonbond Coefficients
    0.3500000000E+01
   -0.1155999985E+03
   -0.8219999695E+02
   -0.4879999924E+02
   -0.1539999962E+02
    0.5999999866E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
<CH       
   11    4
   11    4
   11    4
Atom Type Number
         122
Nonbond Coefficients
    0.3500000000E+01
   -0.1155999985E+03
   -0.8219999695E+02
   -0.4879999924E+02
   -0.1539999962E+02
    0.5999999866E-01
Mass
    0.1301910019E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
<CH       
   11    5
   11    5
   11    5
Atom Type Number
         123
Nonbond Coefficients
    0.3500000000E+01
   -0.5145000076E+02
   -0.3940000153E+02
   -0.2739999962E+02
   -0.1530000019E+02
    0.5999999866E-01
Mass
    0.1201119995E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
<C-       
   12    1
   12    1
   12    1
Atom Type Number
         124
Nonbond Coefficients
    0.3500000000E+01
   -0.1050000000E+03
   -0.8700000000E+02
   -0.6900000000E+02
   -0.5100000000E+02
    0.5999999866E-01
Mass
    0.1201119995E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
<C-       
   12    2
   12    2
   12    2
Atom Type Number
         125
Nonbond Coefficients
    0.3500000000E+01
   -0.8150000000E+02
   -0.5629999924E+02
   -0.3100000000E+02
   -0.5800000191E+01
    0.5999999866E-01
Mass
    0.1201119995E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
<C-       
   12    3
   12    3
   12    3
Atom Type Number
         126
Nonbond Coefficients
    0.3200000048E+01
   -0.7200000000E+02
   -0.5470000076E+02
   -0.3729999924E+02
   -0.2000000000E+02
    0.5999999866E-01
Mass
    0.1201119995E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
<C-       
   12    4
   12    4
   12    4
Atom Type Number
         127
Nonbond Coefficients
    0.3200000048E+01
   -0.7200000000E+02
   -0.5470000076E+02
   -0.3729999924E+02
   -0.2000000000E+02
    0.5999999866E-01
Mass
    0.1201119995E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
<C-       
   12    5
   12    5
   12    5
Atom Type Number
         128
Nonbond Coefficients
    0.3000000000E+01
   -0.2610000000E+03
   -0.1755000000E+03
   -0.8990000153E+02
   -0.4400000095E+01
    0.6300000101E-01
Mass
    0.1801519966E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
H2O       
   13    1
   13    1
   13    1
Atom Type Number
         129
Nonbond Coefficients
    0.2849999905E+01
   -0.1725000000E+03
   -0.1238000031E+03
   -0.7509999847E+02
   -0.2639999962E+02
    0.6300000101E-01
Mass
    0.1700729942E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
(Me)O     
   14    1
   14    1
   14    1
Atom Type Number
         130
Nonbond Coefficients
    0.2849999905E+01
   -0.1381999969E+03
   -0.9690000153E+02
   -0.5550000000E+02
   -0.1419999981E+02
    0.6599999964E-01
Mass
    0.1700729942E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
OH        
   14    2
   14    2
   14    2
Atom Type Number
         131
Nonbond Coefficients
    0.2849999905E+01
   -0.1715000000E+03
   -0.1180000000E+03
   -0.6440000153E+02
   -0.1089999962E+02
    0.6599999964E-01
Mass
    0.1700729942E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
OH        
   14    3
   14    3
   14    3
Atom Type Number
         132
Nonbond Coefficients
    0.2849999905E+01
   -0.1248000031E+03
   -0.1150999985E+03
   -0.1053000031E+03
   -0.9559999847E+02
    0.6599999964E-01
Mass
    0.1700729942E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
OH        
   14    4
   14    4
   14    4
Atom Type Number
         133
Nonbond Coefficients
    0.2849999905E+01
   -0.1110000000E+03
   -0.7569999695E+02
   -0.4040000153E+02
   -0.5099999905E+01
    0.6599999964E-01
Mass
    0.1700729942E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
OH        
   14    5
   14    5
   14    5
Atom Type Number
         134
Nonbond Coefficients
    0.2849999905E+01
   -0.9800000000E+02
   -0.9730000305E+02
   -0.9669999695E+02
   -0.9600000000E+02
    0.6599999964E-01
Mass
    0.1700729942E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
OH        
   14    6
   14    6
   14    6
Atom Type Number
         135
Nonbond Coefficients
    0.2849999905E+01
   -0.1110000000E+03
   -0.7569999695E+02
   -0.4040000153E+02
   -0.5099999905E+01
    0.6599999964E-01
Mass
    0.1700729942E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
OH        
   14    7
   14    7
   14    7
Atom Type Number
         136
Nonbond Coefficients
    0.2849999905E+01
   -0.1110000000E+03
   -0.7569999695E+02
   -0.4040000153E+02
   -0.5099999905E+01
    0.6599999964E-01
Mass
    0.1700729942E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
OH        
   14    8
   14    8
   14    8
Atom Type Number
         137
Nonbond Coefficients
    0.2849999905E+01
   -0.1110000000E+03
   -0.7569999695E+02
   -0.4040000153E+02
   -0.5099999905E+01
    0.6599999964E-01
Mass
    0.1700729942E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
OH        
   14    9
   14    9
   14    9
Atom Type Number
         138
Nonbond Coefficients
    0.2849999905E+01
   -0.1850000000E+03
   -0.1261999969E+03
   -0.6740000153E+02
   -0.8600000381E+01
    0.6599999964E-01
Mass
    0.1700729942E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
OH        
   14   10
   14   10
   14   10
Atom Type Number
         139
Nonbond Coefficients
    0.2849999905E+01
   -0.1850000000E+03
   -0.1261999969E+03
   -0.6740000153E+02
   -0.8600000381E+01
    0.6599999964E-01
Mass
    0.1700729942E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
OH        
   14   11
   14   11
   14   11
Atom Type Number
         140
Nonbond Coefficients
    0.2599999905E+01
   -0.6100000000E+02
   -0.1261999969E+03
   -0.6740000153E+02
   -0.5500000000E+02
    0.6599999964E-01
Mass
    0.1700729942E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
OH        
   14   12
   14   12
   14   12
Atom Type Number
         141
Nonbond Coefficients
    0.2700000048E+01
   -0.5200000000E+02
   -0.4770000076E+02
   -0.4329999924E+02
   -0.3900000000E+02
    0.6800000370E-01
Mass
    0.1599940014E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
O<        
   15    1
   15    1
   15    1
Atom Type Number
         142
Nonbond Coefficients
    0.2700000048E+01
   -0.9119999695E+02
   -0.6190000153E+02
   -0.3250000000E+02
   -0.3200000048E+01
    0.6599999964E-01
Mass
    0.1599940014E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
O<        
   15    2
   15    2
   15    2
Atom Type Number
         143
Nonbond Coefficients
    0.2700000048E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.6599999964E-01
Mass
    0.1599940014E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
O<        
   15    3
   15    3
   15    3
Atom Type Number
         144
Nonbond Coefficients
    0.2700000048E+01
   -0.2873999939E+03
   -0.2005000000E+03
   -0.1135999985E+03
   -0.2670000076E+02
    0.6599999964E-01
Mass
    0.1599940014E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
O<        
   15    4
   15    4
   15    4
Atom Type Number
         145
Nonbond Coefficients
    0.2700000048E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.6599999964E-01
Mass
    0.1599940014E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
O<        
   15    5
   15    5
   15    5
Atom Type Number
         146
Nonbond Coefficients
    0.2700000048E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.6599999964E-01
Mass
    0.1599940014E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
O<        
   15    6
   15    6
   15    6
Atom Type Number
         147
Nonbond Coefficients
    0.2700000048E+01
   -0.2873999939E+03
   -0.2005000000E+03
   -0.1135999985E+03
   -0.2670000076E+02
    0.6599999964E-01
Mass
    0.1599940014E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
O<        
   15    7
   15    7
   15    7
Atom Type Number
         148
Nonbond Coefficients
    0.2700000048E+01
   -0.7800000000E+02
   -0.6270000076E+02
   -0.4729999924E+02
   -0.3200000000E+02
    0.6499999762E-01
Mass
    0.1599940014E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
O<        
   15    8
   15    8
   15    8
Atom Type Number
         149
Nonbond Coefficients
    0.2700000048E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.6499999762E-01
Mass
    0.1599940014E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
O<        
   15    9
   15    9
   15    9
Atom Type Number
         150
Nonbond Coefficients
    0.2700000048E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.6499999762E-01
Mass
    0.1599940014E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
O<        
   15   10
   15   10
   15   10
Atom Type Number
         151
Nonbond Coefficients
    0.3119999886E+01
   -0.6900000000E+02
   -0.6630000305E+02
   -0.6370000076E+02
   -0.6100000000E+02
    0.6199999899E-01
Mass
    0.1599940014E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
O=        
   16    1
   16    1
   16    1
Atom Type Number
         152
Nonbond Coefficients
    0.2700000048E+01
   -0.1490000000E+03
   -0.1218000031E+03
   -0.9459999847E+02
   -0.6740000153E+02
    0.6199999899E-01
Mass
    0.1599940014E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
O=        
   16    2
   16    2
   16    2
Atom Type Number
         153
Nonbond Coefficients
    0.2599999905E+01
   -0.6500000000E+02
   -0.1218000031E+03
   -0.9459999847E+02
   -0.5840000153E+02
    0.6199999899E-01
Mass
    0.1599940014E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
O=        
   16    3
   16    3
   16    3
Atom Type Number
         154
Nonbond Coefficients
    0.2900000095E+01
   -0.4200000000E+02
   -0.3829999924E+02
   -0.3470000076E+02
   -0.3100000000E+02
    0.6199999899E-01
Mass
    0.1599940014E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
O=        
   16    4
   16    4
   16    4
Atom Type Number
         155
Nonbond Coefficients
    0.2900000095E+01
   -0.1410000000E+03
   -0.1310000000E+03
   -0.1210000000E+03
   -0.1110000000E+03
    0.6199999899E-01
Mass
    0.1599940014E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
O=        
   16    5
   16    5
   16    5
Atom Type Number
         156
Nonbond Coefficients
    0.3119999886E+01
   -0.9700000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.5800000000E+02
    0.6199999899E-01
Mass
    0.1599940014E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
O=        
   16    6
   16    6
   16    6
Atom Type Number
         157
Nonbond Coefficients
    0.3099999905E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.6199999899E-01
Mass
    0.1599940014E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
O=        
   16    7
   16    7
   16    7
Atom Type Number
         158
Nonbond Coefficients
    0.2700000048E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.6199999899E-01
Mass
    0.1599940014E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
O=        
   16    8
   16    8
   16    8
Atom Type Number
         159
Nonbond Coefficients
    0.2700000048E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.6199999899E-01
Mass
    0.1599940014E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
O=        
   16    9
   16    9
   16    9
Atom Type Number
         160
Nonbond Coefficients
    0.2700000048E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.6199999899E-01
Mass
    0.1599940014E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
O=        
   16   10
   16   10
   16   10
Atom Type Number
         161
Nonbond Coefficients
    0.3259999990E+01
   -0.1110000000E+03
   -0.1036999969E+03
   -0.9630000305E+02
   -0.8900000000E+02
    0.1040000021E+00
Mass
    0.3206620026E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
S<        
   17    1
   17    1
   17    1
Atom Type Number
         162
Nonbond Coefficients
    0.3259999990E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1040000021E+00
Mass
    0.3206620026E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
S<        
   17    2
   17    2
   17    2
Atom Type Number
         163
Nonbond Coefficients
    0.3259999990E+01
   -0.1110000000E+03
   -0.9769999695E+02
   -0.8430000305E+02
   -0.7000000000E+02
    0.1040000021E+00
Mass
    0.3206620026E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
S<        
   17    3
   17    3
   17    3
Atom Type Number
         164
Nonbond Coefficients
    0.3849999905E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1040000021E+00
Mass
    0.3206620026E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
S<        
   17    4
   17    4
   17    4
Atom Type Number
         165
Nonbond Coefficients
    0.3630000114E+01
   -0.1900000000E+03
   -0.1680000000E+03
   -0.9500000000E+02
   -0.4440000153E+02
    0.1159999967E+00
Mass
    0.3807180023E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
S<        
   17    5
   17    5
   17    5
Atom Type Number
         166
Nonbond Coefficients
    0.3599999905E+01
   -0.1088000031E+03
   -0.1063000031E+03
   -0.1038000031E+03
   -0.1013000031E+03
    0.1040000021E+00
Mass
    0.3307479858E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-SH       
   18    1
   18    1
   18    1
Atom Type Number
         167
Nonbond Coefficients
    0.4000000000E+01
   -0.1110000000E+03
   -0.9300000000E+02
   -0.7500000000E+02
   -0.5700000000E+02
    0.1040000021E+00
Mass
    0.3307479858E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-SH       
   18    2
   18    2
   18    2
Atom Type Number
         168
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1040000021E+00
Mass
    0.3307479858E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-SH       
   18    3
   18    3
   18    3
Atom Type Number
         169
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1040000021E+00
Mass
    0.3307479858E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-SH       
   18    4
   18    4
   18    4
Atom Type Number
         170
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1040000021E+00
Mass
    0.3307479858E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-S        
   18    5
   18    5
   18    5
Atom Type Number
         171
Nonbond Coefficients
    0.3099999905E+01
   -0.8500000000E+02
   -0.8130000305E+02
   -0.7769999695E+02
   -0.7400000000E+02
    0.7000000030E-01
Mass
    0.1602269936E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-NH2      
   19    1
   19    1
   19    1
Atom Type Number
         172
Nonbond Coefficients
    0.3099999905E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.7000000030E-01
Mass
    0.1602269936E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-NH2      
   19    2
   19    2
   19    2
Atom Type Number
         173
Nonbond Coefficients
    0.3099999905E+01
   -0.1410000000E+03
   -0.1310000000E+03
   -0.1210000000E+03
   -0.1110000000E+03
    0.7000000030E-01
Mass
    0.1602269936E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-NH2      
   19    3
   19    3
   19    3
Atom Type Number
         174
Nonbond Coefficients
    0.3099999905E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.7000000030E-01
Mass
    0.1602269936E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-NH2      
   19    4
   19    4
   19    4
Atom Type Number
         175
Nonbond Coefficients
    0.3099999905E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.7000000030E-01
Mass
    0.1602269936E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-NH2      
   19    5
   19    5
   19    5
Atom Type Number
         176
Nonbond Coefficients
    0.3099999905E+01
   -0.8500000000E+02
   -0.6600000000E+02
   -0.4700000000E+02
   -0.2800000000E+02
    0.7000000030E-01
Mass
    0.1501469994E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-NH-      
   20    1
   20    1
   20    1
Atom Type Number
         177
Nonbond Coefficients
    0.3099999905E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.7000000030E-01
Mass
    0.1501469994E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-NH-      
   20    2
   20    2
   20    2
Atom Type Number
         178
Nonbond Coefficients
    0.3099999905E+01
   -0.8500000000E+02
   -0.6600000000E+02
   -0.4700000000E+02
   -0.2800000000E+02
    0.7000000030E-01
Mass
    0.1501469994E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-NH-      
   20    3
   20    3
   20    3
Atom Type Number
         179
Nonbond Coefficients
    0.3099999905E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.7000000030E-01
Mass
    0.1501469994E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-NH-      
   20    4
   20    4
   20    4
Atom Type Number
         180
Nonbond Coefficients
    0.3099999905E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.7000000030E-01
Mass
    0.1501469994E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-NH-      
   20    5
   20    5
   20    5
Atom Type Number
         181
Nonbond Coefficients
    0.3099999905E+01
   -0.7000000000E+02
   -0.4820000076E+02
   -0.2629999924E+02
   -0.4500000000E+01
    0.7000000030E-01
Mass
    0.1400669956E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-N<       
   21    1
   21    1
   21    1
Atom Type Number
         182
Nonbond Coefficients
    0.3099999905E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.7000000030E-01
Mass
    0.1400669956E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-N<       
   21    2
   21    2
   21    2
Atom Type Number
         183
Nonbond Coefficients
    0.3099999905E+01
   -0.1080000019E+02
   -0.1080000019E+02
   -0.1080000019E+02
   -0.1080000019E+02
    0.7000000030E-01
Mass
    0.1400669956E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-N<       
   21    3
   21    3
   21    3
Atom Type Number
         184
Nonbond Coefficients
    0.3099999905E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.7000000030E-01
Mass
    0.1400669956E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-N<       
   21    4
   21    4
   21    4
Atom Type Number
         185
Nonbond Coefficients
    0.3099999905E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.7000000030E-01
Mass
    0.1400669956E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-N<       
   21    5
   21    5
   21    5
Atom Type Number
         186
Nonbond Coefficients
    0.3099999905E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.6499999762E-01
Mass
    0.1400669956E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
=AN-      
   22    1
   22    1
   22    1
Atom Type Number
         187
Nonbond Coefficients
    0.3099999905E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.6499999762E-01
Mass
    0.1400669956E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
=AN-      
   22    2
   22    2
   22    2
Atom Type Number
         188
Nonbond Coefficients
    0.3099999905E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.6499999762E-01
Mass
    0.1400669956E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
=AN-      
   22    3
   22    3
   22    3
Atom Type Number
         189
Nonbond Coefficients
    0.3099999905E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.6499999762E-01
Mass
    0.1400669956E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
=AN-      
   22    4
   22    4
   22    4
Atom Type Number
         190
Nonbond Coefficients
    0.3099999905E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.6499999762E-01
Mass
    0.1400669956E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
=AN-      
   22    5
   22    5
   22    5
Atom Type Number
         191
Nonbond Coefficients
    0.3079999924E+01
   -0.3300000000E+02
   -0.2450000000E+02
   -0.1610000038E+02
   -0.7599999905E+01
    0.5499999970E-01
Mass
    0.1400669956E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
<N        
   23    1
   23    1
   23    1
Atom Type Number
         192
Nonbond Coefficients
    0.3079999924E+01
   -0.1340000000E+03
   -0.9119999695E+02
   -0.4840000153E+02
   -0.5599999905E+01
    0.5499999970E-01
Mass
    0.1400669956E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
<N        
   23    2
   23    2
   23    2
Atom Type Number
         193
Nonbond Coefficients
    0.3079999924E+01
   -0.3300000000E+02
   -0.2450000000E+02
   -0.1610000038E+02
   -0.7599999905E+01
    0.5499999970E-01
Mass
    0.1400669956E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
#N        
   23    3
   23    3
   23    3
Atom Type Number
         194
Nonbond Coefficients
    0.3099999905E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.5499999970E-01
Mass
    0.1400669956E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
#N        
   23    4
   23    4
   23    4
Atom Type Number
         195
Nonbond Coefficients
    0.3099999905E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.5499999970E-01
Mass
    0.1400669956E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
#N        
   23    5
   23    5
   23    5
Atom Type Number
         196
Nonbond Coefficients
    0.3329999924E+01
   -0.1638000031E+03
   -0.1146999969E+03
   -0.6550000000E+02
   -0.1639999962E+02
    0.9939999878E-01
Mass
    0.3545270157E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-Cl       
   24    1
   24    1
   24    1
Atom Type Number
         197
Nonbond Coefficients
    0.3329999924E+01
   -0.1740000000E+03
   -0.9769999695E+02
   -0.5229999924E+02
   -0.3800000000E+02
    0.9939999878E-01
Mass
    0.3545270157E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-Cl       
   24    2
   24    2
   24    2
Atom Type Number
         198
Nonbond Coefficients
    0.3200000048E+01
   -0.1963999939E+03
   -0.1375000000E+03
   -0.7850000000E+02
   -0.1960000038E+02
    0.9939999878E-01
Mass
    0.3545270157E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-Cl       
   24    3
   24    3
   24    3
Atom Type Number
         199
Nonbond Coefficients
    0.3200000048E+01
   -0.1638000031E+03
   -0.1146999969E+03
   -0.6550000000E+02
   -0.1639999962E+02
    0.9939999878E-01
Mass
    0.3545270157E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-Cl       
   24    4
   24    4
   24    4
Atom Type Number
         200
Nonbond Coefficients
    0.3329999924E+01
   -0.8430000305E+02
   -0.5900000000E+02
   -0.3370000076E+02
   -0.8399999619E+01
    0.9939999878E-01
Mass
    0.3545270157E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-Cl       
   24    5
   24    5
   24    5
Atom Type Number
         201
Nonbond Coefficients
    0.2640000105E+01
   -0.2979999924E+02
   -0.2689999962E+02
   -0.2410000038E+02
   -0.2120000076E+02
    0.6400000304E-01
Mass
    0.1899839973E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-F        
   25    1
   25    1
   25    1
Atom Type Number
         202
Nonbond Coefficients
    0.2640000105E+01
   -0.3179999924E+02
   -0.2700000000E+02
   -0.2220000076E+02
   -0.1739999962E+02
    0.6400000304E-01
Mass
    0.1899839973E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-F        
   25    2
   25    2
   25    2
Atom Type Number
         203
Nonbond Coefficients
    0.2640000105E+01
   -0.2400000000E+02
   -0.2700000000E+02
   -0.2220000076E+02
   -0.1739999962E+02
    0.6400000304E-01
Mass
    0.1899839973E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-F        
   25    3
   25    3
   25    3
Atom Type Number
         204
Nonbond Coefficients
    0.2640000105E+01
   -0.2400000000E+02
   -0.2700000000E+02
   -0.2220000076E+02
   -0.1419999981E+02
    0.6400000304E-01
Mass
    0.1899839973E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-F        
   25    4
   25    4
   25    4
Atom Type Number
         205
Nonbond Coefficients
    0.2640000105E+01
   -0.3179999924E+02
   -0.2700000000E+02
   -0.2220000076E+02
   -0.1739999962E+02
    0.6400000304E-01
Mass
    0.1899839973E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-F        
   25    5
   25    5
   25    5
Atom Type Number
         206
Nonbond Coefficients
    0.2640000105E+01
   -0.3179999924E+02
   -0.2700000000E+02
   -0.2220000076E+02
   -0.1739999962E+02
    0.6400000304E-01
Mass
    0.1899839973E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-F        
   25    6
   25    6
   25    6
Atom Type Number
         207
Nonbond Coefficients
    0.4000000000E+01
   -0.2200000000E+02
   -0.2170000076E+02
   -0.2129999924E+02
   -0.2100000000E+02
    0.1099999994E+00
Mass
    0.3097380066E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>P        
   26    0
   26    0
   26    0
Atom Type Number
         208
Nonbond Coefficients
    0.4000000000E+01
   -0.2200000000E+02
   -0.2170000076E+02
   -0.2129999924E+02
   -0.2100000000E+02
    0.1099999994E+00
Mass
    0.3097380066E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>P<       
   26    1
   26    1
   26    1
Atom Type Number
         209
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1099999994E+00
Mass
    0.3097380066E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-P<       
   26    2
   26    2
   26    2
Atom Type Number
         210
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1099999994E+00
Mass
    0.3097380066E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-P<       
   26    3
   26    3
   26    3
Atom Type Number
         211
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1099999994E+00
Mass
    0.3097380066E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-P<       
   26    4
   26    4
   26    4
Atom Type Number
         212
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1099999994E+00
Mass
    0.3097380066E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-P<       
   26    5
   26    5
   26    5
Atom Type Number
         213
Nonbond Coefficients
    0.3460000038E+01
   -0.2271999969E+03
   -0.1598000031E+03
   -0.9250000000E+02
   -0.2510000038E+02
    0.1140000001E+00
Mass
    0.7990399933E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-Br       
   27    1
   27    1
   27    1
Atom Type Number
         214
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1099999994E+00
Mass
    0.7990399933E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-Br       
   27    2
   27    2
   27    2
Atom Type Number
         215
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1099999994E+00
Mass
    0.7990399933E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-Br       
   27    3
   27    3
   27    3
Atom Type Number
         216
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1099999994E+00
Mass
    0.7990399933E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-Br       
   27    4
   27    4
   27    4
Atom Type Number
         217
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1099999994E+00
Mass
    0.7990399933E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-Br       
   27    5
   27    5
   27    5
Atom Type Number
         218
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1333000064E+00
Mass
    0.1269039993E+03
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-I        
   28    1
   28    1
   28    1
Atom Type Number
         219
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1800000072E+00
Mass
    0.1269039993E+03
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-I        
   28    2
   28    2
   28    2
Atom Type Number
         220
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1800000072E+00
Mass
    0.1269039993E+03
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-I        
   28    3
   28    3
   28    3
Atom Type Number
         221
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1800000072E+00
Mass
    0.1269039993E+03
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-I        
   28    4
   28    4
   28    4
Atom Type Number
         222
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1800000072E+00
Mass
    0.1269039993E+03
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-I        
   28    5
   28    5
   28    5
Atom Type Number
         223
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1000000015E+00
Mass
    0.3110989952E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-SiH3     
   29    1
   29    1
   29    1
Atom Type Number
         224
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1000000015E+00
Mass
    0.3110989952E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-SiH3     
   29    2
   29    2
   29    2
Atom Type Number
         225
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1000000015E+00
Mass
    0.3110989952E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-SiH3     
   29    3
   29    3
   29    3
Atom Type Number
         226
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1000000015E+00
Mass
    0.3110989952E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-SiH3     
   29    4
   29    4
   29    4
Atom Type Number
         227
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1000000015E+00
Mass
    0.3110989952E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
-SiH3     
   29    5
   29    5
   29    5
Atom Type Number
         228
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1000000015E+00
Mass
    0.3000609970E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>SiH2     
   30    1
   30    1
   30    1
Atom Type Number
         229
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1000000015E+00
Mass
    0.3000609970E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>SiH2     
   30    2
   30    2
   30    2
Atom Type Number
         230
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1000000015E+00
Mass
    0.3000609970E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>SiH2     
   30    3
   30    3
   30    3
Atom Type Number
         231
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1000000015E+00
Mass
    0.3000609970E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>SiH2     
   30    4
   30    4
   30    4
Atom Type Number
         232
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1000000015E+00
Mass
    0.3000609970E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>SiH2     
   30    5
   30    5
   30    5
Atom Type Number
         233
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1000000015E+00
Mass
    0.2909399986E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>SiH-     
   31    1
   31    1
   31    1
Atom Type Number
         234
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1000000015E+00
Mass
    0.2909399986E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>SiH-     
   31    2
   31    2
   31    2
Atom Type Number
         235
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1000000015E+00
Mass
    0.2909399986E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>SiH-     
   31    3
   31    3
   31    3
Atom Type Number
         236
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1000000015E+00
Mass
    0.2909399986E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>SiH-     
   31    4
   31    4
   31    4
Atom Type Number
         237
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1000000015E+00
Mass
    0.2909399986E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>SiH-     
   31    5
   31    5
   31    5
Atom Type Number
         238
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1000000015E+00
Mass
    0.2808600044E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>Si<      
   32    1
   32    1
   32    1
Atom Type Number
         239
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1000000015E+00
Mass
    0.2808600044E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>Si<      
   32    2
   32    2
   32    2
Atom Type Number
         240
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1000000015E+00
Mass
    0.2808600044E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>Si<      
   32    3
   32    3
   32    3
Atom Type Number
         241
Nonbond Coefficients
    0.3750000000E+01
   -0.7000000000E+02
   -0.5479999924E+02
   -0.3970000076E+02
   -0.2450000000E+02
    0.1000000015E+00
Mass
    0.2808600044E+02
Element
  
Bond Pattern
null 
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Unlu2004  
Atom Names
>Si<      
   32    4
   32    4
   32    4
Number of Bonded Terms
           2
Bond Type Number
           1
Bond Style
          10
Bond Coefficients
    0.1540000000E+01
    0.1360000000E+01
    0.1720000000E+01
    0.0000000000E+00
Vibration Order
wild      
Force Field Name
Unlu2004  
Number of Atoms with Same Parameters  
           1
Atom Names
alkane     alkane    
Bond Type Number
           2
Bond Style
          10
Bond Coefficients
    0.1470000000E+01
    0.1290000000E+01
    0.1650000000E+01
    0.0000000000E+00
Vibration Order
wild      
Force Field Name
Unlu2004  
Number of Atoms with Same Parameters  
           1
Atom Names
benzene    benzene   
Number of Angle Terms
           2
Angle Type Number
           1
Angle Style
          13
Angle Coefficients
    0.1101695875E+03
    0.2335600000E+01
    0.2715600000E+01
    0.0000000000E+00
Angle Order
wild           
Force Field Name
Unlu2004  
Number of Atoms with Same Parameters  
           1
Atom Names
alkane     alkane     alkane    
Angle Type Number
           2
Angle Style
          13
Angle Coefficients
    0.1203035703E+03
    0.2360000000E+01
    0.2740000000E+01
    0.0000000000E+00
Angle Order
wild           
Force Field Name
Unlu2004  
Number of Atoms with Same Parameters  
           1
Atom Names
benzene    benzene    benzene   
Number of Torsion Terms
           2
Torsion Type Number
           1
Torsion Style
          18
One-Four Nonbond Logical
 F
Torsion Coefficients
    0.3420000000E+01
    0.3720000000E+01
    0.0000000000E+00
Torsion Order
wild           
Force Field Name
Unlu2004  
Number of Atoms with Same Parameters  
           1
Atom Names
alkane     alkane     alkane     alkane    
Torsion Type Number
           2
Torsion Style
          18
One-Four Nonbond Logical
 F
Torsion Coefficients
    0.3140000105E+01
    0.3424999952E+01
    0.0000000000E+00
Torsion Order
wild           
Force Field Name
Unlu2004  
Number of Atoms with Same Parameters  
           1
Atom Names
benzene    benzene    benzene    benzene   
Number of Improper Terms
           0
Number of Angle-Angle Terms
           0
Number of One-Five Types
           0
Number of Bond Increments
           0
