! PARM99 for DNA,RNA,AA, organic molecules, TIP3P wat. Polariz.& LP incl.02/04/99
! 
! Original file was taken from the AMBER home page: http://ambermd.org/ (as of Nov 13, 2009)
! Converted for Molby by amberparm2molby.pl by Toshi Nagata.
! Thanks to the AMBER development team, the force field parameters are in the public domain. Hereby I acknowledge their great scientific contribution, with references to the literature as below.
! 1. D.A. Case, T.E. Cheatham, III, T. Darden, H. Gohlke, R. Luo, K.M. Merz, Jr., A. Onufriev, C. Simmerling, B. Wang and R. Woods. The Amber biomolecular simulation programs. J. Computat. Chem. 26, 1668-1688 (2005).
! 2. J.W. Ponder and D.A. Case. Force fields for protein simulations. Adv. Prot. Chem. 66, 27-85 (2003). Similar information for nucleic acids is given by T.E. Cheatham, III and M.A. Young. Molecular dynamics simulation of nucleic acids: Successes, limitations and promise. Biopolymers 56, 232-256 (2001).
! 3. D.A. Case, T.A. Darden, T.E. Cheatham, III, C.L. Simmerling, J. Wang, R.E. Duke, R. Luo, M. Crowley, Ross C. Walker,W. Zhang, K.M. Merz, B.Wang, S. Hayik, A. Roitberg, G. Seabra, I. Kolossvﾃ｡ry, K.F.Wong, F. Paesani, J. Vanicek, X.Wu, S.R. Brozell, T. Steinbrecher, H. Gohlke, L. Yang, C. Tan, J. Mongan, V. Hornak, G. Cui, D.H. Mathews, M.G. Seetin, C. Sagui, V. Babin, and P.A. Kollman (2008), AMBER 10, University of California, San Francisco.

vdw H   0.0157  0.6000  0.0157  0.6000 0   1.008 ! H bonded to nitrogen atoms
vdw HO  0.0000  0.0000  0.0000  0.0000 0   1.008 ! hydroxyl group
vdw HS  0.0157  0.6000  0.0157  0.6000 0   1.008 ! hydrogen bonded to sulphur (pol?)
vdw HC  0.0157  1.4870  0.0157  1.4870 0   1.008 ! H aliph. bond. to C without electrwd.group
vdw H1  0.0157  1.3870  0.0157  1.3870 0   1.008 ! H aliph. bond. to C with 1 electrwd. group
vdw H2  0.0157  1.2870  0.0157  1.2870 0   1.008 ! H aliph. bond. to C with 2 electrwd.groups
vdw H3  0.0157  1.1870  0.0157  1.1870 0   1.008 ! H aliph. bond. to C with 3 eletrwd.groups
vdw HP  0.0157  1.1000  0.0157  1.1000 0   1.008 ! H bonded to C next to positively charged gr
vdw HA  0.0150  1.4590  0.0150  1.4590 0   1.008 ! H arom. bond. to C without elctrwd. groups
vdw H4  0.0150  1.4090  0.0150  1.4090 0   1.008 ! H arom. bond. to C with 1 electrwd. group
vdw H5  0.0150  1.3590  0.0150  1.3590 0   1.008 ! H arom.at C with 2 elctrwd. gr,+HCOO group
vdw HW  0.0000  0.0000  0.0000  0.0000 0   1.008 ! H in TIP3P water
vdw HZ  0.0150  1.4590  0.0150  1.4590 0   1.008 ! H bond sp C (Howard et al.JCC,16,243,1995)
vdw O   0.2100  1.6612  0.2100  1.6612 0  16.000 ! carbonyl group oxygen
vdw O2  0.2100  1.6612  0.2100  1.6612 0  16.000 ! carboxyl and phosphate group oxygen
vdw OW  0.1520  1.7683  0.1520  1.7683 0  16.000 ! oxygen in TIP3P water
vdw OH  0.2104  1.7210  0.2104  1.7210 0  16.000 ! oxygen in hydroxyl group
vdw OS  0.1700  1.6837  0.1700  1.6837 0  16.000 ! ether and ester oxygen
vdw C*  0.0860  1.9080  0.0860  1.9080 0  12.010 ! sp2 arom. 5 memb.ring w/1 subst. (TRP)
vdw CA  0.0860  1.9080  0.0860  1.9080 0  12.010 ! sp2 C pure aromatic (benzene)
vdw CB  0.0860  1.9080  0.0860  1.9080 0  12.010 ! sp2 aromatic C, 5&6 membered ring junction
vdw CC  0.0860  1.9080  0.0860  1.9080 0  12.010 ! sp2 aromatic C, 5 memb. ring HIS
vdw CD  0.0860  1.9080  0.0860  1.9080 0  12.010 ! sp2 C atom in the middle of: C=CD-CD=C
vdw CK  0.0860  1.9080  0.0860  1.9080 0  12.010 ! sp2 C 5 memb.ring in purines
vdw CM  0.0860  1.9080  0.0860  1.9080 0  12.010 ! sp2 C  pyrimidines in pos. 5 & 6
vdw CN  0.0860  1.9080  0.0860  1.9080 0  12.010 ! sp2 C aromatic 5&6 memb.ring junct.(TRP)
vdw CQ  0.0860  1.9080  0.0860  1.9080 0  12.010 ! sp2 C in 5 mem.ring of purines between 2 N
vdw CR  0.0860  1.9080  0.0860  1.9080 0  12.010 ! sp2 arom as CQ but in HIS
vdw CV  0.0860  1.9080  0.0860  1.9080 0  12.010 ! sp2 arom. 5 memb.ring w/1 N and 1 H (HIS)
vdw CW  0.0860  1.9080  0.0860  1.9080 0  12.010 ! sp2 arom. 5 memb.ring w/1 N-H and 1 H (HIS)
vdw CY  0.0860  1.9080  0.0860  1.9080 0  12.010 ! nitrile C (Howard et al.JCC,16,243,1995)
vdw CZ  0.0860  1.9080  0.0860  1.9080 0  12.010 ! sp C (Howard et al.JCC,16,243,1995)
vdw CT  0.1094  1.9080  0.1094  1.9080 0  12.010 ! sp3 aliphatic C
vdw C   0.0860  1.9080  0.0860  1.9080 0  12.010 ! sp2 C carbonyl group
vdw N   0.1700  1.8240  0.1700  1.8240 0  14.010 ! sp2 nitrogen in amide groups
vdw NA  0.1700  1.8240  0.1700  1.8240 0  14.010 ! sp2 N in 5 memb.ring w/H atom (HIS)
vdw N2  0.1700  1.8240  0.1700  1.8240 0  14.010 ! sp2 N in amino groups
vdw N*  0.1700  1.8240  0.1700  1.8240 0  14.010 ! sp2 N
vdw NC  0.1700  1.8240  0.1700  1.8240 0  14.010 ! sp2 N in 6 memb.ring w/LP (ADE,GUA)
vdw NB  0.1700  1.8240  0.1700  1.8240 0  14.010 ! sp2 N in 5 memb.ring w/LP (HIS,ADE,GUA)
vdw NT  0.1700  1.8240  0.1700  1.8240 0  14.010 ! sp3 N for amino groups amino groups
vdw NY  0.1700  1.8240  0.1700  1.8240 0  14.010 ! nitrile N (Howard et al.JCC,16,243,1995)
vdw N3  0.1700  1.8240  0.1700  1.8240 0  14.010 ! sp3 N for charged amino groups (Lys, etc)
vdw NY  0.1700  1.8240  0.1700  1.8240 0  14.010 ! nitrile N (Howard et al.JCC,16,243,1995)
vdw S   0.2500  2.0000  0.2500  2.0000 0  32.060 ! S in disulfide linkage,pol:JPC,102,2399,98
vdw SH  0.2500  2.0000  0.2500  2.0000 0  32.060 ! S in cystine
vdw P   0.2000  2.1000  0.2000  2.1000 0  30.970 ! phosphate,pol:JACS,112,8543,90,K.J.Miller
vdw IM  0.1000  2.4700  0.1000  2.4700 0  35.450 ! assumed to be Cl- (ion minus)
vdw Li  0.0183  1.1370  0.0183  1.1370 0   6.940 ! lithium, ions pol:J.PhysC,11,1541,(1978)
vdw IP  0.0028  1.8680  0.0028  1.8680 0  22.990 ! assumed to be Na+ (ion plus)
vdw Na  0.0028  1.8680  0.0028  1.8680 0  22.990 ! Na+, ions pol:J.PhysC,11,1541,(1978)
vdw K   0.0003  2.6580  0.0003  2.6580 0  39.100 ! potassium
vdw Rb  0.0002  2.9560  0.0002  2.9560 0  85.470 ! rubidium
vdw Cs  0.0001  3.3950  0.0001  3.3950 0 132.910 ! cesium
vdw MG  0.8947  0.7926  0.8947  0.7926 0  24.305 ! magnesium
vdw C0  0.4598  1.7131  0.4598  1.7131 0  40.080 ! calcium
vdw Zn  0.0125  1.1000  0.0125  1.1000 0  65.400 ! Zn2+
vdw F   0.0610  1.7500  0.0610  1.7500 0  19.000 ! fluorine
vdw Cl  0.2650  1.9480  0.2650  1.9480 0  35.450 ! chlorine  (Applequist)
vdw Br  0.3200  2.2200  0.3200  2.2200 0  79.900 ! bromine  (Applequist)
vdw I   0.4000  2.3500  0.4000  2.3500 0 126.900 ! iodine   (Applequist)
vdw IB  0.1000  5.0000  0.1000  5.0000 0 131.000 ! 'big ion w/ waters' for vacuum (Na+, 6H2O)
vdw LP  0.0000  0.0000  0.0000  0.0000 0   3.000 ! lone pair

bond OW   HW     553.0 0.957 ! TIP3P water
bond HW   HW     553.0 1.514 ! TIP3P water
bond C    C      310.0 1.525 ! Junmei et al, 1999
bond C    CA     469.0 1.409 ! JCC,7,(1986),230; (not used any more in TYR)
bond C    CB     447.0 1.419 ! JCC,7,(1986),230; GUA
bond C    CM     410.0 1.444 ! JCC,7,(1986),230; THY,URA
bond C    CT     317.0 1.522 ! JCC,7,(1986),230; AA
bond C    N      490.0 1.335 ! JCC,7,(1986),230; AA
bond C    N*     424.0 1.383 ! JCC,7,(1986),230; CYT,URA
bond C    NA     418.0 1.388 ! JCC,7,(1986),230; GUA.URA
bond C    NC     457.0 1.358 ! JCC,7,(1986),230; CYT
bond C    O      570.0 1.229 ! JCC,7,(1986),230; AA,CYT,GUA,THY,URA
bond C    O2     656.0 1.250 ! JCC,7,(1986),230; GLU,ASP
bond C    OH     450.0 1.364 ! JCC,7,(1986),230; (not used any more for TYR)
bond C    OS     450.0 1.323 ! Junmei et al, 1999
bond C    H4     367.0 1.080 ! Junmei et al, 1999
bond C    H5     367.0 1.080 ! Junmei et al, 1999
bond CA   CA     469.0 1.400 ! JCC,7,(1986),230; BENZENE,PHE,TRP,TYR
bond CA   CB     469.0 1.404 ! JCC,7,(1986),230; ADE,TRP
bond CA   CM     427.0 1.433 ! JCC,7,(1986),230; CYT
bond CA   CN     469.0 1.400 ! JCC,7,(1986),230; TRP
bond CA   CT     317.0 1.510 ! JCC,7,(1986),230; PHE,TYR
bond CA   HA     367.0 1.080 ! changed from 340. bsd on C6H6 nmodes; PHE,TRP,TYR
bond CA   H4     367.0 1.080 ! changed from 340. bsd on C6H6 nmodes; no assigned
bond CA   N2     481.0 1.340 ! JCC,7,(1986),230; ARG,CYT,GUA
bond CA   NA     427.0 1.381 ! JCC,7,(1986),230; GUA
bond CA   NC     483.0 1.339 ! JCC,7,(1986),230; ADE,CYT,GUA
bond CA   OH     450.0 1.364 ! substituted for C-OH in tyr
bond CB   CB     520.0 1.370 ! JCC,7,(1986),230; ADE,GUA
bond CB   N*     436.0 1.374 ! JCC,7,(1986),230; ADE,GUA
bond CB   NB     414.0 1.391 ! JCC,7,(1986),230; ADE,GUA
bond CB   NC     461.0 1.354 ! JCC,7,(1986),230; ADE,GUA
bond CD   HA     367.0 1.080 ! Junmei et al, 1999
bond CD   CD     469.0 1.400 ! Junmei et al, 1999
bond CD   CM     549.0 1.350 ! Junmei et al, 1999
bond CD   CT     317.0 1.510 ! Junmei et al, 1999
bond CK   H5     367.0 1.080 ! changed from 340. bsd on C6H6 nmodes; ADE,GUA
bond CK   N*     440.0 1.371 ! JCC,7,(1986),230; ADE,GUA
bond CK   NB     529.0 1.304 ! JCC,7,(1986),230; ADE,GUA
bond CM   CM     549.0 1.350 ! JCC,7,(1986),230; CYT,THY,URA
bond CM   CT     317.0 1.510 ! JCC,7,(1986),230; THY
bond CM   HA     367.0 1.080 ! changed from 340. bsd on C6H6 nmodes; CYT,URA
bond CM   H4     367.0 1.080 ! changed from 340. bsd on C6H6 nmodes; CYT,URA
bond CM   H5     367.0 1.080 ! changed from 340. bsd on C6H6 nmodes; not assigned
bond CM   N*     448.0 1.365 ! JCC,7,(1986),230; CYT,THY,URA
bond CM   OS     480.0 1.240 ! Junmei et al, 1999
bond CQ   H5     367.0 1.080 ! changed from 340. bsd on C6H6 nmodes; ADE
bond CQ   NC     502.0 1.324 ! JCC,7,(1986),230; ADE
bond CT   CT     310.0 1.526 ! JCC,7,(1986),230; AA, SUGARS
bond CT   HC     340.0 1.090 ! changed from 331 bsd on NMA nmodes; AA, SUGARS
bond CT   H1     340.0 1.090 ! changed from 331 bsd on NMA nmodes; AA, RIBOSE
bond CT   H2     340.0 1.090 ! changed from 331 bsd on NMA nmodes; SUGARS
bond CT   H3     340.0 1.090 ! changed from 331 bsd on NMA nmodes; not assigned
bond CT   HP     340.0 1.090 ! changed from 331; AA-lysine, methyl ammonium cation
bond CT   N*     337.0 1.475 ! JCC,7,(1986),230; ADE,CYT,GUA,THY,URA
bond CT   N2     337.0 1.463 ! JCC,7,(1986),230; ARG
bond CT   OH     320.0 1.410 ! JCC,7,(1986),230; SUGARS
bond CT   OS     320.0 1.410 ! JCC,7,(1986),230; NUCLEIC ACIDS
bond C*   HC     367.0 1.080 ! changed from 340. bsd on C6H6 nmodes, not needed AA
bond C*   CB     388.0 1.459 ! JCC,7,(1986),230; TRP
bond C*   CT     317.0 1.495 ! JCC,7,(1986),230; TRP
bond C*   CW     546.0 1.352 ! JCC,7,(1986),230; TRP
bond CB   CN     447.0 1.419 ! JCC,7,(1986),230; TRP
bond CC   CT     317.0 1.504 ! JCC,7,(1986),230; HIS
bond CC   CV     512.0 1.375 ! JCC,7,(1986),230; HIS(delta)
bond CC   CW     518.0 1.371 ! JCC,7,(1986),230; HIS(epsilon)
bond CC   NA     422.0 1.385 ! JCC,7,(1986),230; HIS
bond CC   NB     410.0 1.394 ! JCC,7,(1986),230; HIS
bond CN   NA     428.0 1.380 ! JCC,7,(1986),230; TRP
bond CR   H5     367.0 1.080 ! changed from 340. bsd on C6H6 nmodes;HIS
bond CR   NA     477.0 1.343 ! JCC,7,(1986),230; HIS
bond CR   NB     488.0 1.335 ! JCC,7,(1986),230; HIS
bond CT   N      337.0 1.449 ! JCC,7,(1986),230; AA
bond CT   N3     367.0 1.471 ! JCC,7,(1986),230; LYS
bond CT   NT     367.0 1.471 ! for neutral amines
bond CT   S      227.0 1.810 ! changed from 222.0 based on dimethylS nmodes
bond CT   SH     237.0 1.810 ! changed from 222.0 based on methanethiol nmodes
bond CT   CY     400.0 1.458 ! Howard et al JCC.16,243,1995
bond CT   CZ     400.0 1.459 ! Howard et al JCC,16,243,1995
bond CV   H4     367.0 1.080 ! changed from 340. bsd on C6H6 nmodes; HIS
bond CV   NB     410.0 1.394 ! JCC,7,(1986),230; HIS
bond CW   H4     367.0 1.080 ! changed from 340. bsd on C6H6 nmodes;HIS(epsilon,+)
bond CW   NA     427.0 1.381 ! JCC,7,(1986),230; HIS,TRP
bond CY   NY     600.0 1.150 ! Howard et al JCC,16,243,1995
bond CZ   CZ     600.0 1.206 ! Howard et al JCC,16,243,1995
bond CZ   HZ     400.0 1.056 ! Howard et al JCC,16,243,1995
bond O2   P      525.0 1.480 ! JCC,7,(1986),230; NA PHOSPHATES
bond OH   P      230.0 1.610 ! JCC,7,(1986),230; NA PHOSPHATES
bond OS   P      230.0 1.610 ! JCC,7,(1986),230; NA PHOSPHATES
bond H    N2     434.0 1.010 ! JCC,7,(1986),230; ADE,CYT,GUA,ARG
bond H    N*     434.0 1.010 ! for plain unmethylated bases ADE,CYT,GUA,ARG
bond H    NA     434.0 1.010 ! JCC,7,(1986),230; GUA,URA,HIS
bond H    N      434.0 1.010 ! JCC,7,(1986),230; AA
bond H    N3     434.0 1.010 ! JCC,7,(1986),230; LYS
bond H    NT     434.0 1.010 ! for neutral amines
bond HO   OH     553.0 0.960 ! JCC,7,(1986),230; SUGARS,SER,TYR
bond HO   OS     553.0 0.960 ! JCC,7,(1986),230; NUCLEOTIDE ENDS
bond HS   SH     274.0 1.336 ! JCC,7,(1986),230; CYS
bond S    S      166.0 2.038 ! JCC,7,(1986),230; CYX   (SCHERAGA)
bond F    CT     367.0 1.380 ! JCC,13,(1992),963;CF4; R0=1.332 FOR CHF3
bond Cl   CT     232.0 1.766 ! 6-31g* opt
bond Br   CT     159.0 1.944 ! Junmei et al,99
bond I    CT     148.0 2.166 ! Junmei et al,99
bond F    CA     386.0 1.359 ! Junmei et al,99
bond Cl   CA     193.0 1.727 ! Junmei et al,99
bond I    CA     171.0 2.075 ! Junmei et al,99
bond Br   CA     172.0 1.890 ! Junmei et al,99
bond LP   O      600.0 0.200 ! or 0.35
bond LP   OH     600.0 0.200 ! or 0.35
bond LP   OS     600.0 0.200 ! or 0.35
bond LP   N3     600.0 0.200 ! or 0.35
bond LP   NT     600.0 0.200 ! or 0.35
bond LP   NB     600.0 0.200 ! or 0.35 histidines, nucleic acids
bond LP   NC     600.0 0.200 ! or 0.35 nucleic acids
bond LP   S      600.0 0.700 ! cys,cyx,met
bond LP   SH     600.0 0.700 ! cys,cyx

angle HW   OW   HW     100.0 104.52 ! TIP3P water
angle HW   HW   OW       0.0 127.74 ! (found in crystallographic water with 3 bonds)
angle C    C    O       80.0 120.00 ! Junmei et al, 1999 acrolein
angle C    C    OH      80.0 120.00 ! Junmei et al, 1999
angle CA   C    CA      63.0 120.00 ! changed from 85.0  bsd on C6H6 nmodes; AA
angle CA   C    OH      70.0 120.00 ! AA (not used in tyr)
angle CB   C    NA      70.0 111.30 ! NA
angle CB   C    O       80.0 128.80
angle CM   C    NA      70.0 114.10
angle CM   C    O       80.0 125.30
angle CT   C    O       80.0 120.40
angle CT   C    O2      70.0 117.00
angle CT   C    N       70.0 116.60 ! AA general
angle CT   C    CT      63.0 117.00 ! Junmei et al, 1999
angle CT   C    OS      80.0 115.00 ! Junmei et al, 1999
angle CT   C    OH      80.0 110.00 ! Junmei et al, 1999
angle N*   C    NA      70.0 115.40
angle N*   C    NC      70.0 118.60
angle N*   C    O       80.0 120.90
angle NA   C    O       80.0 120.60
angle NC   C    O       80.0 122.50
angle N    C    O       80.0 122.90 ! AA general
angle O    C    O       80.0 126.00 ! AA COO- terminal residues
angle O    C    OH      80.0 120.00 ! (check with Junmei for: theta0:120.0?)
angle O    C    OS      80.0 125.00 ! Junmei et al, 1999
angle O2   C    O2      80.0 126.00 ! AA GLU            (SCH JPC 79,2379)
angle H4   C    C       50.0 120.00 ! Junmei et al, 1999
angle H4   C    CM      50.0 115.00 ! Junmei et al, 1999
angle H4   C    CT      50.0 115.00 ! Junmei et al, 1999
angle H4   C    O       50.0 120.00 ! Junmei et al, 1999
angle H4   C    OH      50.0 120.00 ! Junmei et al, 1999
angle H5   C    N       50.0 120.00 ! Junmei et al, 1999
angle H5   C    O       50.0 119.00 ! Junmei et al, 1999
angle H5   C    OH      50.0 107.00 ! Junmei et al, 1999
angle H5   C    OS      50.0 107.00 ! Junmei et al, 1999
angle C    CA   CA      63.0 120.00 ! changed from 85.0  bsd on C6H6 nmodes
angle C    CA   HA      50.0 120.00 ! AA (not used in tyr)
angle CA   CA   CA      63.0 120.00 ! changed from 85.0  bsd on C6H6 nmodes
angle CA   CA   CB      63.0 120.00 ! changed from 85.0  bsd on C6H6 nmodes
angle CA   CA   CT      70.0 120.00
angle CA   CA   HA      50.0 120.00
angle CA   CA   H4      50.0 120.00
angle CA   CA   OH      70.0 120.00 ! replacement in tyr
angle CA   CA   CN      63.0 120.00 ! changed from 85.0  bsd on C6H6 nmodes; AA trp
angle CB   CA   HA      50.0 120.00
angle CB   CA   H4      50.0 120.00
angle CB   CA   N2      70.0 123.50
angle CB   CA   NC      70.0 117.30
angle CM   CA   N2      70.0 120.10
angle CM   CA   NC      70.0 121.50
angle CN   CA   HA      50.0 120.00 ! AA trp
angle NA   CA   NC      70.0 123.30
angle N2   CA   NA      70.0 116.00
angle N2   CA   NC      70.0 119.30
angle N2   CA   N2      70.0 120.00 ! AA arg
angle F    CA   CA      70.0 121.00 ! Junmei et al,99
angle Cl   CA   CA      70.0 118.80 ! Junmei et al,99
angle Br   CA   CA      70.0 118.80 ! Junmei et al,99
angle I    CA   CA      70.0 118.80 ! Junmei et al,99
angle C    CB   CB      63.0 119.20 ! changed from 85.0  bsd on C6H6 nmodes; NA gua
angle C    CB   NB      70.0 130.00
angle CA   CB   CB      63.0 117.30 ! changed from 85.0  bsd on C6H6 nmodes; NA ade
angle CA   CB   NB      70.0 132.40
angle CB   CB   N*      70.0 106.20
angle CB   CB   NB      70.0 110.40
angle CB   CB   NC      70.0 127.70
angle C*   CB   CA      63.0 134.90 ! changed from 85.0  bsd on C6H6 nmodes; AA trp
angle C*   CB   CN      63.0 108.80 ! changed from 85.0  bsd on C6H6 nmodes; AA trp
angle CA   CB   CN      63.0 116.20 ! changed from 85.0  bsd on C6H6 nmodes; AA trp
angle N*   CB   NC      70.0 126.20
angle CD   CD   CM      63.0 120.00 ! Junmei et al, 1999
angle CD   CD   CT      70.0 120.00 ! Junmei et al, 1999
angle CM   CD   CT      70.0 120.00 ! Junmei et al, 1999
angle HA   CD   HA      35.0 119.00 ! Junmei et al, 1999
angle HA   CD   CD      50.0 120.00 ! Junmei et al, 1999
angle HA   CD   CM      50.0 120.00 ! Junmei et al, 1999
angle H5   CK   N*      50.0 123.05
angle H5   CK   NB      50.0 123.05
angle N*   CK   NB      70.0 113.90
angle C    CM   CM      63.0 120.70 ! changed from 85.0  bsd on C6H6 nmodes; NA thy
angle C    CM   CT      70.0 119.70
angle C    CM   HA      50.0 119.70
angle C    CM   H4      50.0 119.70
angle CA   CM   CM      63.0 117.00 ! changed from 85.0  bsd on C6H6 nmodes; NA cyt
angle CA   CM   HA      50.0 123.30
angle CA   CM   H4      50.0 123.30
angle CM   CM   CT      70.0 119.70
angle CM   CM   HA      50.0 119.70
angle CM   CM   H4      50.0 119.70
angle CM   CM   N*      70.0 121.20
angle CM   CM   OS      80.0 125.00 ! Junmei et al, 1999
angle H4   CM   N*      50.0 119.10
angle H4   CM   OS      50.0 113.00 ! Junmei et al, 1999
angle HA   CM   HA      35.0 120.00 ! Junmei et al, 1999
angle HA   CM   CD      50.0 120.00 ! Junmei et al, 1999
angle HA   CM   CT      50.0 120.00 ! Junmei et al, 1999
angle NC   CQ   NC      70.0 129.10
angle H5   CQ   NC      50.0 115.45
angle H1   CT   H1      35.0 109.50
angle H1   CT   N*      50.0 109.50 ! changed based on NMA nmodes
angle H1   CT   OH      50.0 109.50 ! changed based on NMA nmodes
angle H1   CT   OS      50.0 109.50 ! changed based on NMA nmodes
angle H1   CT   CM      50.0 109.50 ! Junmei et al, 1999
angle H1   CT   CY      50.0 110.00 ! Junmei et al, 1999
angle H1   CT   CZ      50.0 110.00 ! Junmei et al, 1999
angle H1   CT   N       50.0 109.50 ! AA general  changed based on NMA nmodes
angle H1   CT   S       50.0 109.50 ! AA cys     changed based on NMA nmodes
angle H1   CT   SH      50.0 109.50 ! AA cyx     changed based on NMA nmodes
angle H1   CT   N2      50.0 109.50 ! AA arg     changed based on NMA nmodes
angle H1   CT   NT      50.0 109.50 ! neutral amines
angle H2   CT   H2      35.0 109.50 ! AA lys
angle H2   CT   N*      50.0 109.50 ! changed based on NMA nmodes
angle H2   CT   OS      50.0 109.50 ! changed based on NMA nmodes
angle HP   CT   HP      35.0 109.50 ! AA lys, ch3nh4+
angle HP   CT   N3      50.0 109.50 ! AA lys, ch3nh3+, changed based on NMA nmodes
angle HC   CT   HC      35.0 109.50
angle HC   CT   CM      50.0 109.50 ! changed based on NMA nmodes
angle HC   CT   CD      50.0 109.50 ! Junmei et al, 1999
angle HC   CT   CZ      50.0 110.00 ! Junmei et al, 1999
angle C    CT   H1      50.0 109.50 ! AA general  changed based on NMA nmodes
angle C    CT   HP      50.0 109.50 ! AA zwitterion  changed based on NMA nmodes
angle C    CT   HC      50.0 109.50 ! AA gln      changed based on NMA nmodes
angle C    CT   N       63.0 110.10 ! AA general
angle C    CT   N3      80.0 111.20 ! AA amino terminal residues
angle C    CT   CT      63.0 111.10 ! AA general
angle C    CT   OS      60.0 109.50 ! Junmei et al, 1999
angle CA   CT   HC      50.0 109.50 ! AA tyr     changed based on NMA nmodes
angle CC   CT   CT      63.0 113.10 ! AA his
angle CC   CT   HC      50.0 109.50 ! AA his     changed based on NMA nmodes
angle CM   CT   CT      63.0 111.00 ! Junmei et al, 1999 (last change: Mar24,99)
angle CM   CT   OS      50.0 109.50 ! Junmei et al, 1999
angle CT   CT   CT      40.0 109.50
angle CT   CT   HC      50.0 109.50 ! changed based on NMA nmodes
angle CT   CT   H1      50.0 109.50 ! changed based on NMA nmodes
angle CT   CT   H2      50.0 109.50 ! changed based on NMA nmodes
angle CT   CT   HP      50.0 109.50 ! changed based on NMA nmodes
angle CT   CT   N*      50.0 109.50
angle CT   CT   OH      50.0 109.50
angle CT   CT   OS      50.0 109.50
angle CT   CT   S       50.0 114.70 ! AA cyx            (SCHERAGA  JPC 79,1428)
angle CT   CT   SH      50.0 108.60 ! AA cys
angle CT   CT   CA      63.0 114.00 ! AA phe tyr          (SCH JPC  79,2379)
angle CT   CT   N2      80.0 111.20 ! AA arg             (JCP 76, 1439)
angle CT   CT   N       80.0 109.70 ! AA ala, general    (JACS 94, 2657)
angle CT   CT   N3      80.0 111.20 ! AA lys             (JCP 76, 1439)
angle CT   CT   NT      80.0 111.20 ! neutral amines
angle CT   CT   CY      63.0 110.00 ! Junmei et al, 1999
angle CT   CT   CZ      63.0 110.00 ! Junmei et al, 1999
angle C*   CT   CT      63.0 115.60 ! AA trp
angle C*   CT   HC      50.0 109.50 ! AA trp    changed based on NMA nmodes
angle OS   CT   OS     160.0 101.00 ! Junmei et al, 1999
angle OS   CT   CY      50.0 110.00 ! Junmei et al, 1999
angle OS   CT   CZ      50.0 110.00 ! Junmei et al, 1999
angle OS   CT   N*      50.0 109.50
angle F    CT   F       77.0 109.10 ! JCC,13,(1992),963;
angle F    CT   H1      50.0 109.50 ! JCC,13,(1992),963;
angle F    CT   CT      50.0 109.00
angle F    CT   H2      50.0 109.50
angle Cl   CT   CT      50.0 108.50 ! (6-31g* opt value)
angle Cl   CT   H1      50.0 108.50 ! (6-31g* opt value)
angle Br   CT   CT      50.0 108.00 ! Junmei et al 99
angle Br   CT   H1      50.0 106.50 ! Junmei et al 99
angle I    CT   CT      50.0 106.00 ! Junmei et al,99
angle CT   CC   NA      70.0 120.00 ! AA his
angle CT   CC   CV      70.0 120.00 ! AA his
angle CT   CC   NB      70.0 120.00 ! AA his
angle CV   CC   NA      70.0 120.00 ! AA his
angle CW   CC   NA      70.0 120.00 ! AA his
angle CW   CC   NB      70.0 120.00 ! AA his
angle CT   CC   CW      70.0 120.00 ! AA his
angle H5   CR   NA      50.0 120.00 ! AA his
angle H5   CR   NB      50.0 120.00 ! AA his
angle NA   CR   NA      70.0 120.00 ! AA his
angle NA   CR   NB      70.0 120.00 ! AA his
angle CC   CV   H4      50.0 120.00 ! AA his
angle CC   CV   NB      70.0 120.00 ! AA his
angle H4   CV   NB      50.0 120.00 ! AA his
angle CC   CW   H4      50.0 120.00 ! AA his
angle CC   CW   NA      70.0 120.00 ! AA his
angle C*   CW   H4      50.0 120.00 ! AA trp
angle C*   CW   NA      70.0 108.70 ! AA trp
angle H4   CW   NA      50.0 120.00 ! AA his
angle CB   C*   CT      70.0 128.60 ! AA trp
angle CB   C*   CW      63.0 106.40 ! changed from 85.0  bsd on C6H6 nmodes; AA trp
angle CT   C*   CW      70.0 125.00 ! AA trp
angle CA   CN   CB      63.0 122.70 ! changed from 85.0  bsd on C6H6 nmodes; AA trp
angle CA   CN   NA      70.0 132.80 ! AA trp
angle CB   CN   NA      70.0 104.40 ! AA trp
angle CT   CY   NY      80.0 180.00 ! Junmei et al, 1999
angle CT   CZ   CZ      80.0 180.00 ! Junmei et al, 1999
angle CZ   CZ   HZ      50.0 180.00 ! Junmei et al, 1999
angle C    N    CT      50.0 121.90 ! AA general
angle C    N    H       50.0 120.00 ! AA general, gln, asn,changed based on NMA nmodes
angle CT   N    H       50.0 118.04 ! AA general,     changed based on NMA nmodes
angle CT   N    CT      50.0 118.00 ! AA pro             (DETAR JACS 99,1232)
angle H    N    H       35.0 120.00 ! ade,cyt,gua,gln,asn     **
angle C    N*   CM      70.0 121.60
angle C    N*   CT      70.0 117.60
angle C    N*   H       50.0 119.20 ! changed based on NMA nmodes
angle CB   N*   CK      70.0 105.40
angle CB   N*   CT      70.0 125.80
angle CB   N*   H       50.0 125.80 ! for unmethylated n.a. bases,chngd bsd NMA nmodes
angle CK   N*   CT      70.0 128.80
angle CK   N*   H       50.0 128.80 ! for unmethylated n.a. bases,chngd bsd NMA nmodes
angle CM   N*   CT      70.0 121.20
angle CM   N*   H       50.0 121.20 ! for unmethylated n.a. bases,chngd bsd NMA nmodes
angle CA   N2   H       50.0 120.00
angle CA   N2   CT      50.0 123.20 ! AA arg
angle CT   N2   H       50.0 118.40 ! AA arg
angle H    N2   H       35.0 120.00
angle CT   N3   H       50.0 109.50 ! AA lys,     changed based on NMA nmodes
angle CT   N3   CT      50.0 109.50 ! AA pro/nt
angle H    N3   H       35.0 109.50 ! AA lys, AA(end)
angle CT   NT   H       50.0 109.50 ! neutral amines
angle CT   NT   CT      50.0 109.50 ! neutral amines
angle H    NT   H       35.0 109.50 ! neutral amines
angle C    NA   C       70.0 126.40
angle C    NA   CA      70.0 125.20
angle C    NA   H       50.0 116.80 ! changed based on NMA nmodes
angle CA   NA   H       50.0 118.00 ! changed based on NMA nmodes
angle CC   NA   CR      70.0 120.00 ! AA his
angle CC   NA   H       50.0 120.00 ! AA his,    changed based on NMA nmodes
angle CR   NA   CW      70.0 120.00 ! AA his
angle CR   NA   H       50.0 120.00 ! AA his,    changed based on NMA nmodes
angle CW   NA   H       50.0 120.00 ! AA his,    changed based on NMA nmodes
angle CN   NA   CW      70.0 111.60 ! AA trp
angle CN   NA   H       50.0 123.10 ! AA trp,    changed based on NMA nmodes
angle CB   NB   CK      70.0 103.80
angle CC   NB   CR      70.0 117.00 ! AA his
angle CR   NB   CV      70.0 117.00 ! AA his
angle C    NC   CA      70.0 120.50
angle CA   NC   CB      70.0 112.20
angle CA   NC   CQ      70.0 118.60
angle CB   NC   CQ      70.0 111.00
angle C    OH   HO      50.0 113.00 ! (not used in tyr anymore)
angle CA   OH   HO      50.0 113.00 ! replacement in tyr
angle CT   OH   HO      55.0 108.50
angle HO   OH   P       45.0 108.50
angle C    OS   CT      60.0 117.00 ! Junmei et al, 1999
angle CM   OS   CT      60.0 117.00 ! Junmei et al, 1999
angle CT   OS   CT      60.0 109.50
angle CT   OS   P      100.0 120.50
angle P    OS   P      100.0 120.50
angle O2   P    OH      45.0 108.23
angle O2   P    O2     140.0 119.90
angle O2   P    OS     100.0 108.23
angle OH   P    OS      45.0 102.60
angle OS   P    OS      45.0 102.60
angle CT   S    CT      62.0 98.90 ! AA met
angle CT   S    S       68.0 103.70 ! AA cyx             (SCHERAGA  JPC 79,1428)
angle CT   SH   HS      43.0 96.00 ! changed from 44.0 based on methanethiol nmodes
angle HS   SH   HS      35.0 92.07 ! AA cys
angle CB   NB   LP     150.0 126.00 ! NA
angle CC   NB   LP     150.0 126.00 ! his,NA
angle CK   NB   LP     150.0 126.00 ! NA
angle CR   NB   LP     150.0 126.00 ! his,NA
angle CV   NB   LP     150.0 126.00 ! his,NA
angle C    NC   LP     150.0 120.00 ! NA
angle CA   NC   LP     150.0 120.00 ! NA
angle CB   NC   LP     150.0 120.00 ! NA
angle CQ   NC   LP     150.0 120.00 ! NA
angle CT   N3   LP     150.0 109.50 ! in neutral lysine
angle H    N3   LP     150.0 109.50 ! in neutral lysine
angle CT   NT   LP     150.0 109.50
angle H    NT   LP     150.0 109.50
angle C    O    LP     150.0 120.00
angle LP   O    LP     150.0 120.00
angle C    OH   LP     150.0 120.00
angle CT   OH   LP     150.0 109.50
angle HO   OH   LP     150.0 109.50
angle LP   OH   LP     150.0 109.50
angle C    OS   LP     150.0 109.50
angle CM   OS   LP     150.0 109.50 ! methyl vinyl ether
angle CT   OS   LP     150.0 109.50
angle LP   OS   LP     150.0 109.50
angle CT   S    LP     150.0 90.00 ! cys,cyx,met
angle CT   SH   LP     150.0 90.00 ! cys,cyx,met
angle P    OS   LP     150.0 109.50 ! NA
angle LP   S    LP     150.0 180.00 ! cys,cyx,met
angle LP   SH   LP     150.0 180.00 ! cys,cyx,met
angle HS   SH   LP     150.0 90.00 ! cys

dihe X    C    C    X     3.62       2  180.00 ! Junmei et al, 1999
dihe X    C    CA   X     3.62       2  180.00 ! intrpol.bsd.on C6H6
dihe X    C    CB   X     3.00       2  180.00 ! intrpol.bsd.on C6H6
dihe X    C    CM   X     2.17       2  180.00 ! intrpol.bsd.on C6H6
dihe X    C    CT   X     0.00       2    0.00 ! JCC,7,(1986),230
dihe X    C    N    X     2.50       2  180.00 ! AA,NMA
dihe X    C    N*   X     1.45       2  180.00 ! JCC,7,(1986),230
dihe X    C    NA   X     1.35       2  180.00 ! JCC,7,(1986),230
dihe X    C    NC   X     4.00       2  180.00 ! JCC,7,(1986),230
dihe X    C    O    X     2.80       2  180.00 ! Junmei et al, 1999
dihe X    C    OH   X     2.30       2  180.00 ! Junmei et al, 1999
dihe X    C    OS   X     2.70       2  180.00 ! Junmei et al, 1999
dihe X    CA   CA   X     3.62       2  180.00 ! intrpol.bsd.on C6H6
dihe X    CA   CB   X     3.50       2  180.00 ! intrpol.bsd.on C6H6
dihe X    CA   CM   X     2.55       2  180.00 ! intrpol.bsd.on C6H6
dihe X    CA   CN   X     3.62       2  180.00 ! reinterpolated 93'
dihe X    CA   CT   X     0.00       2    0.00 ! JCC,7,(1986),230
dihe X    CA   N2   X     2.40       2  180.00 ! reinterpolated 93'
dihe X    CA   NA   X     1.50       2  180.00 ! JCC,7,(1986),230
dihe X    CA   NC   X     4.80       2  180.00 ! JCC,7,(1986),230
dihe X    CA   OH   X     0.90       2  180.00 ! Junmei et al, 99
dihe X    CB   CB   X     5.45       2  180.00 ! intrpol.bsd.on C6H6
dihe X    CB   CN   X     3.00       2  180.00 ! reinterpolated 93'
dihe X    CB   N*   X     1.65       2  180.00 ! JCC,7,(1986),230
dihe X    CB   NB   X     2.55       2  180.00 ! JCC,7,(1986),230
dihe X    CB   NC   X     4.15       2  180.00 ! JCC,7,(1986),230
dihe X    CC   CT   X     0.00       2    0.00 ! JCC,7,(1986),230
dihe X    CC   CV   X     5.15       2  180.00 ! intrpol.bsd.on C6H6
dihe X    CC   CW   X     5.38       2  180.00 ! intrpol.bsd.on C6H6
dihe X    CC   NA   X     1.40       2  180.00 ! JCC,7,(1986),230
dihe X    CC   NB   X     2.40       2  180.00 ! JCC,7,(1986),230
dihe X    CD   CD   X     1.00       2  180.00 ! Junmei et al, 1999
dihe X    CD   CT   X     0.00       2    0.00 ! Junmei et al, 1999
dihe X    CD   CM   X     6.65       2  180.00 ! Junmei et al, 1999
dihe X    CK   N*   X     1.70       2  180.00 ! JCC,7,(1986),230
dihe X    CK   NB   X    10.00       2  180.00 ! JCC,7,(1986),230
dihe X    CM   CM   X     6.65       2  180.00 ! intrpol.bsd.on C6H6
dihe X    CM   CT   X     0.00       3    0.00 ! JCC,7,(1986),230
dihe X    CM   N*   X     1.85       2  180.00 ! JCC,7,(1986),230
dihe X    CM   OS   X     1.05       2  180.00 ! Junmei et al, 1999
dihe X    CN   NA   X     1.52       2  180.00 ! reinterpolated 93'
dihe X    CQ   NC   X     6.80       2  180.00 ! JCC,7,(1986),230
dihe X    CT   CT   X     0.16       3    0.00 ! JCC,7,(1986),230
dihe X    CT   CY   X     0.00       1    0.00 ! Junmei et al, 1999
dihe X    CT   CZ   X     0.00       1    0.00 ! Junmei et al, 1999
dihe X    CT   N    X     0.00       2    0.00 ! JCC,7,(1986),230
dihe X    CT   N*   X     0.00       2    0.00 ! JCC,7,(1986),230
dihe X    CT   N2   X     0.00       3    0.00 ! JCC,7,(1986),230
dihe X    CT   NT   X     0.30       3    0.00 ! Junmei et al, 1999
dihe X    CT   N3   X     0.16       3    0.00 ! JCC,7,(1986),230
dihe X    CT   OH   X     0.17       3    0.00 ! JCC,7,(1986),230
dihe X    CT   OS   X     0.38       3    0.00 ! JCC,7,(1986),230
dihe X    CT   S    X     0.33       3    0.00 ! JCC,7,(1986),230
dihe X    CT   SH   X     0.25       3    0.00 ! JCC,7,(1986),230
dihe X    C*   CB   X     1.68       2  180.00 ! intrpol.bsd.onC6H6aa
dihe X    C*   CT   X     0.00       2    0.00 ! JCC,7,(1986),230
dihe X    C*   CW   X     6.53       2  180.00 ! intrpol.bsd.on C6H6
dihe X    CR   NA   X     2.33       2  180.00 ! JCC,7,(1986),230
dihe X    CR   NB   X     5.00       2  180.00 ! JCC,7,(1986),230
dihe X    CV   NB   X     2.40       2  180.00 ! JCC,7,(1986),230
dihe X    CW   NA   X     1.50       2  180.00 ! JCC,7,(1986),230
dihe X    OH   P    X     0.25       3    0.00 ! JCC,7,(1986),230
dihe X    OS   P    X     0.25       3    0.00 ! JCC,7,(1986),230
dihe N    CT   C    N     2.00       2  180.00
dihe C    N    CT   C     0.80       1    0.00
dihe CT   CT   N    C     0.53       1    0.00 ! phi,psi,parm94
dihe CT   CT   C    N     0.07       2    0.00 ! phi,psi,parm94
dihe H    N    C    O     2.00       1    0.00 ! J.C.cistrans-NMA DE
dihe CT   S    S    CT    0.60       3    0.00 ! JCC,7,(1986),230
dihe OH   P    OS   CT    1.20       2    0.00 ! gg&gt ene.631g*/mp2
dihe OS   P    OS   CT    1.20       2    0.00 ! gg&gt ene.631g*/mp2
dihe H1   CT   C    O     0.08       3  180.00 ! Junmei et al, 1999
dihe HC   CT   C    O     0.08       3  180.00 ! Junmei et al, 1999
dihe HC   CT   CT   HC    0.15       3    0.00 ! Junmei et al, 1999
dihe HC   CT   CT   CT    0.16       3    0.00 ! Junmei et al, 1999
dihe HC   CT   CM   CM    1.15       1    0.00 ! Junmei et al, 1999
dihe HO   OH   CT   CT    0.25       1    0.00 ! Junmei et al, 1999
dihe HO   OH   C    O     1.90       1    0.00 ! Junmei et al, 1999
dihe CM   CM   C    O     0.30       3    0.00 ! Junmei et al, 1999
dihe CT   CM   CM   CT    1.90       1  180.00 ! Junmei et al, 1999
dihe CT   CT   CT   CT    0.20       1  180.00 ! Junmei et al, 1999
dihe CT   CT   NT   CT    0.48       2  180.00 ! Junmei et al, 1999
dihe CT   CT   OS   CT    0.10       2  180.00
dihe CT   CT   OS   C     0.80       1  180.00 ! Junmei et al, 1999
dihe CT   OS   CT   OS    1.35       1  180.00 ! Junmei et al, 1999
dihe CT   OS   CT   N*    0.65       2    0.00 ! Piotr et al.
dihe CT   CZ   CZ   HZ    0.00       1    0.00 ! Junmei et al, 1999
dihe O    C    OS   CT    1.40       1  180.00 ! Junmei et al, 1999
dihe OS   CT   N*   CK    2.50       1    0.00 ! parm98, TC,PC,PAK
dihe OS   CT   N*   CM    2.50       1    0.00 ! parm98, TC,PC,PAK
dihe OS   CT   CT   OS    1.18       2    0.00 ! Piotr et al.
dihe OS   CT   CT   OH    1.18       2    0.00 ! parm98, TC,PC,PAK
dihe OH   CT   CT   OH    1.18       2    0.00 ! parm98, TC,PC,PAK
dihe F    CT   CT   F     1.20       1  180.00 ! Junmei et al, 1999
dihe Cl   CT   CT   Cl    0.45       1  180.00 ! Junmei et al, 1999
dihe Br   CT   CT   Br    0.00       1  180.00 ! Junmei et al, 1999
dihe H1   CT   CT   OS    0.25       1    0.00 ! Junmei et al, 1999
dihe H1   CT   CT   OH    0.25       1    0.00 ! Junmei et al, 1999
dihe H1   CT   CT   F     0.19       1    0.00 ! Junmei et al, 1999
dihe H1   CT   CT   Cl    0.25       1    0.00 ! Junmei et al, 1999
dihe H1   CT   CT   Br    0.55       1    0.00 ! Junmei et al, 1999
dihe HC   CT   CT   OS    0.25       1    0.00 ! Junmei et al, 1999
dihe HC   CT   CT   OH    0.25       1    0.00 ! Junmei et al, 1999
dihe HC   CT   CT   F     0.19       1    0.00 ! Junmei et al, 1999
dihe HC   CT   CT   Cl    0.25       1    0.00 ! Junmei et al, 1999
dihe HC   CT   CT   Br    0.55       1    0.00 ! Junmei et al, 1999
dihe H1   CT   NT   LP    0.00       3    0.00
dihe CT   CT   NT   LP    0.00       3    0.00
dihe CT   C    N    LP    0.00       2  180.00
dihe O    C    N    LP    0.00       2  180.00
dihe H1   CT   OH   LP    0.00       3    0.00
dihe CT   CT   OH   LP    0.00       3    0.00
dihe H1   CT   OS   LP    0.00       3    0.00
dihe H2   CT   OS   LP    0.00       3    0.00
dihe CT   CT   OS   LP    0.00       3    0.00
dihe CM   CM   OS   LP    0.00       2  180.00
dihe HA   CM   OS   LP    0.00       2  180.00
dihe H4   CM   OS   LP    0.00       2  180.00

impr X    X    C    O    10.50       2  180.00 ! JCC,7,(1986),230
impr X    O2   C    O2   10.50       2  180.00 ! JCC,7,(1986),230
impr X    X    N    H     1.00       2  180.00 ! JCC,7,(1986),230
impr X    X    N2   H     1.00       2  180.00 ! JCC,7,(1986),230
impr X    X    NA   H     1.00       2  180.00 ! JCC,7,(1986),230
impr X    N2   CA   N2   10.50       2  180.00 ! JCC,7,(1986),230
impr X    CT   N    CT    1.00       2  180.00 ! JCC,7,(1986),230
impr X    X    CA   HA    1.10       2  180.00 ! bsd.on C6H6 nmodes
impr X    X    CW   H4    1.10       2  180.00
impr X    X    CR   H5    1.10       2  180.00
impr X    X    CV   H4    1.10       2  180.00
impr X    X    CQ   H5    1.10       2  180.00
impr X    X    CK   H5    1.10       2  180.00
impr X    X    CM   H4    1.10       2  180.00
impr X    X    CM   HA    1.10       2  180.00
impr X    X    CA   H4    1.10       2  180.00 ! bsd.on C6H6 nmodes
impr X    X    CA   H5    1.10       2  180.00 ! bsd.on C6H6 nmodes
impr CB   CK   N*   CT    1.00       2  180.00
impr C    CM   N*   CT    1.00       2  180.00 ! dac guess, 9/94
impr C    CM   CM   CT    1.10       2  180.00
impr CT   O    C    OH   10.50       2  180.00
impr CT   CV   CC   NA    1.10       2  180.00
impr CT   CW   CC   NB    1.10       2  180.00
impr CT   CW   CC   NA    1.10       2  180.00
impr CB   CT   C*   CW    1.10       2  180.00
impr CA   CA   CA   CT    1.10       2  180.00
impr C    CM   CM   CT    1.10       2  180.00 ! dac guess, 9/94
impr CM   N2   CA   NC    1.10       2  180.00 ! dac guess, 9/94
impr CB   N2   CA   NC    1.10       2  180.00 ! dac, 10/94
impr N2   NA   CA   NC    1.10       2  180.00 ! dac, 10/94
impr CA   CA   C    OH    1.10       2  180.00 ! (not used in tyr!)
impr CA   CA   CA   OH    1.10       2  180.00 ! in tyr
impr H5   O    C    OH    1.10       2  180.00 ! Junmei et al.1999
impr H5   O    C    OS    1.10       2  180.00
impr CM   CT   CM   HA    1.10       2  180.00 ! Junmei et al.1999
impr Br   CA   CA   CA    1.10       2  180.00 ! Junmei et al.1999
impr CM   H4   C    O     1.10       2  180.00 ! Junmei et al.1999
impr C    CT   N    H     1.10       2  180.00 ! Junmei et al.1999
impr C    CT   N    O     1.10       2  180.00 ! Junmei et al.1999


