* Topologies generated by
* CHARMM General Force Field (CGenFF) program version 1.0.0
*
36 1

! "penalty" is the highest penalty score of the associated parameters.
! Penalties lower than 10 indicate the analogy is fair; penalties between 10
! and 50 mean some basic validation is recommended; penalties higher than
! 50 indicate poor analogy and mandate extensive validation/optimization.

RESI Molecu      -3.000 ! param penalty= 443.000 ; charge penalty= 203.396
GROUP            ! CHARGE   CH_PENALTY
ATOM C1     CG2R61 -0.204 !    6.998
ATOM C2     CG2R61 -0.121 !   10.387
ATOM C3     CG2R61  0.193 !  127.615
ATOM C4     CG2R61 -0.121 !   10.387
ATOM C5     CG2R61 -0.204 !    6.998
ATOM C6     CG2R61 -0.398 !    0.000
ATOM H1     HGR61   0.210 !    0.000
ATOM H2     HGR61   0.115 !    0.800
ATOM H3     HGR61   0.115 !    0.800
ATOM H4     HGR61   0.210 !    0.000
ATOM N1     NG2D1  -0.193 !  139.702
ATOM N2     NG2D1  -0.367 !  203.396
ATOM C7     CG2R51  0.404 !  200.906
ATOM C8     CG2R51 -0.003 !   94.220
ATOM C9     CG2R52  0.251 !   92.569
ATOM N3     NG2R51  0.206 !   78.283
ATOM N4     NG2R50 -0.530 !   44.563
ATOM O1     OG311  -0.525 !   66.108
ATOM H5     HGP1    0.420 !    5.130
ATOM C10    CG2O3   0.552 !   86.175
ATOM O2     OG2D2  -0.760 !    4.985
ATOM C11    CG2R61  0.104 !   67.045
ATOM C12    CG2R61 -0.116 !    4.624
ATOM C13    CG2R61 -0.116 !    4.624
ATOM C14    CG2R61 -0.205 !    2.131
ATOM H6     HGR61   0.115 !    0.250
ATOM C15    CG2R61 -0.205 !    2.131
ATOM H7     HGR61   0.115 !    0.250
ATOM C16    CG2R61 -0.398 !    0.000
ATOM H8     HGR61   0.210 !    0.000
ATOM H9     HGR61   0.210 !    0.000
ATOM S1     SG3O1   1.348 !    0.000
ATOM O3     OG2P1  -0.650 !    0.000
ATOM O4     OG2P1  -0.650 !    0.000
ATOM S2     SG3O1   1.348 !    0.000
ATOM O5     OG2P1  -0.650 !    0.000
ATOM O6     OG2P1  -0.650 !    0.000
ATOM O7     OG2P1  -0.650 !    0.000
ATOM O8     OG2D2  -0.760 !    4.985
ATOM O9     OG2P1  -0.650 !    0.000

BOND C1   C2  
BOND C1   C6  
BOND C1   H1  
BOND C2   C3  
BOND C2   H2  
BOND C3   C4  
BOND C3   N1  
BOND C4   C5  
BOND C4   H3  
BOND C5   C6  
BOND C5   H4  
BOND C6   S1  
BOND N1   N2  
BOND N2   C7  
BOND C7   C8  
BOND C7   C9  
BOND C8   N3  
BOND C8   O1  
BOND C9   N4  
BOND C9   C10 
BOND N3   N4  
BOND N3   C11 
BOND O1   H5  
BOND C10  O2  
BOND C10  O8  
BOND C11  C12 
BOND C11  C13 
BOND C12  C14 
BOND C12  H6  
BOND C13  C15 
BOND C13  H7  
BOND C14  C16 
BOND C14  H8  
BOND C15  C16 
BOND C15  H9  
BOND C16  S2  
BOND S1   O3  
BOND S1   O4  
BOND S1   O9  
BOND S2   O5  
BOND S2   O6  
BOND S2   O7  
IMPR C10    O8     O2     C9