* LIGAND DATABASE FILE (OPLS2001)
*
LYSZ     25    24     45     61     129
    1     0 M   N3   _N__     1    32.56852    94.56197  -132.54986
    2     1 S   H    _H1_    23     1.00997    80.08332  -155.80137
    3     1 S   H    _H2_    24     1.01067   150.98872   -43.37961
    4     1 S   H    _H3_    25     1.01023    91.89867    94.79609
    5     1 M   CT   _CA_     2     1.45475    42.81392   -22.32496
    6     5 S   HC   _HA_    14     1.11319   108.43189  -111.21754
    7     5 M   C    _C__     3     1.53412   109.43253   130.68265
    8     7 S   O2   _O__     4     1.23165   121.15530    -0.03956
    9     7 S   O2   _OXT    10     1.36415   115.50130  -180.00000
   10     5 S   CT   _CB_     5     1.53107   108.71822     6.56474
   11    10 S   HC   _HB2    15     1.11304   108.56557   -51.96181
   12    10 S   HC   _HB3    16     1.11320   108.52649    66.87650
   13    10 S   CT   _CG_     6     1.53199   113.30024  -172.54815
   14    13 S   HC   _HG2    17     1.11260   108.28264   -57.06794
   15    13 S   HC   _HG3    18     1.11326   108.20612    61.40066
   16    13 S   CT   _CD_     7     1.53420   114.46177  -177.86788
   17    16 S   HC   _HD2    19     1.11275   108.01004   -59.12715
   18    16 S   HC   _HD3    20     1.11282   108.03552    59.15578
   19    16 S   CT   _CE_     8     1.53479   115.21455  -179.97202
   20    19 S   HC   _HE2    21     1.11257   108.60130   -59.43267
   21    19 S   HC   _HE3    22     1.11269   108.61397    59.48289
   22    19 S   NZ1  _NZ_     9     1.47335   113.00995   179.98022
   23    22 S   H    _HZ1    11     1.01001   110.19672  -166.74811
   24    22 S   H    _HZ2    12     1.01037   109.55928   -44.52873
   25    22 S   H    _HZ3    13     1.00995   108.73090    73.40820
  12   6   5   4  11   7   6   2   1   9   5   4   9   5   4   9
   5   4   6   5   4   3   2   1   1
    5     7     8    10    13     9     6    11    12     2     3     4  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    7     8    10    13    16     9     6    11    12    14    15  
   11    12     7     8     9    10    13  
    8    10    13     9    11    12  
   10     9  
   10  
   13    16    19    11    12    14    15    17    18  
   12    14    15    13    16  
   14    15    13    16  
   16    19    22    14    15    17    18    20    21  
   15    17    18    16    19  
   17    18    16    19  
   19    22    23    24    25    17    18    20    21  
   18    20    21    19    22  
   20    21    19    22  
   22    23    24    25    20    21  
   21    22    23    24    25  
   22    23    24    25  
   23    24    25  
   24    25  
   25  
    0  
NBON
    1   3.2500   0.1700  -0.3520   2.1000   1.6250  -0.100907100   4.805719700
    2   0.5000   0.0300   0.3170   0.9960   0.8600   0.079817800  -1.129220000
    3   0.5000   0.0300   0.3170   0.9960   0.8600   0.079817800  -1.129220000
    4   0.5000   0.0300   0.3170   0.9960   0.8600   0.079817800  -1.129220000
    5   3.5000   0.0660   0.0450   1.9750   1.7500   0.000085900  -0.754493700
    6   2.5000   0.0300   0.0740   1.4250   1.2500   0.008394800   0.285390400
    7   3.7500   0.1050   0.7000   2.1120   1.8750  -0.026933700  -0.722204000
    8   2.9600   0.2100  -0.7090   1.6780   1.4800  -0.350477400  15.005156000
    9   2.9600   0.2100  -0.7090   1.6780   1.4800  -0.350477400  15.005156000
   10   3.5000   0.0660  -0.1200   1.9750   1.7500   0.000085900  -0.754493700
   11   2.5000   0.0300   0.0600   1.4250   1.2500   0.008394800   0.285390400
   12   2.5000   0.0300   0.0600   1.4250   1.2500   0.008394800   0.285390400
   13   3.5000   0.0660  -0.1200   1.9750   1.7500   0.000085900  -0.754493700
   14   2.5000   0.0300   0.0600   1.4250   1.2500   0.008394800   0.285390400
   15   2.5000   0.0300   0.0600   1.4250   1.2500   0.008394800   0.285390400
   16   3.5000   0.0660  -0.1200   1.9750   1.7500   0.000085900  -0.754493700
   17   2.5000   0.0300   0.0600   1.4250   1.2500   0.008394800   0.285390400
   18   2.5000   0.0300   0.0600   1.4250   1.2500   0.008394800   0.285390400
   19   3.5000   0.0660   0.1900   1.9750   1.7500   0.000085900  -0.754493700
   20   2.5000   0.0300   0.0600   1.4250   1.2500   0.008394800   0.285390400
   21   2.5000   0.0300   0.0600   1.4250   1.2500   0.008394800   0.285390400
   22   3.2500   0.1700  -0.3000   2.1000   1.6250  -0.100907100   4.805719700
   23   0.5000   0.0300   0.3300   0.9960   0.8600   0.079817800  -1.129220000
   24   0.5000   0.0300   0.3300   0.9960   0.8600   0.079817800  -1.129220000
   25   0.5000   0.0300   0.3300   0.9960   0.8600   0.079817800  -1.129220000
BOND
    1     5   367.000  1.471
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    5     7   317.000  1.522
    5    10   268.000  1.529
    5     6   340.000  1.090
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    13   268.000  1.529
   10    11   340.000  1.090
   10    12   340.000  1.090
   13    16   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   16    19   268.000  1.529
   16    17   340.000  1.090
   16    18   340.000  1.090
   19    22   367.000  1.471
   19    20   340.000  1.090
   19    21   340.000  1.090
   22    23   434.000  1.010
   22    24   434.000  1.010
   22    25   434.000  1.010
THET
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    1     5     6    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    13    58.35000  112.70000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    16    58.35000  112.70000
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   13    16    19    58.35000  112.70000
   13    16    17    37.50000  110.70000
   13    16    18    37.50000  110.70000
   16    19    22    80.00000  111.20000
   16    19    20    37.50000  110.70000
   16    19    21    37.50000  110.70000
   19    22    23    35.00000  109.50000
   19    22    24    35.00000  109.50000
   19    22    25    35.00000  109.50000
    9     7     8    80.00000  126.00000
   24    22    23    35.00000  109.50000
   25    22    23    35.00000  109.50000
   25    22    24    35.00000  109.50000
    6     5     7    35.00000  109.50000
    6     5    10    37.50000  110.70000
   11    10    13    37.50000  110.70000
   12    10    13    37.50000  110.70000
   12    10    11    33.00000  107.80000
   14    13    16    37.50000  110.70000
   15    13    16    37.50000  110.70000
   15    13    14    33.00000  107.80000
   17    16    19    37.50000  110.70000
   18    16    19    37.50000  110.70000
   18    16    17    33.00000  107.80000
   20    19    22    35.00000  109.50000
   21    19    22    35.00000  109.50000
   21    19    20    33.00000  107.80000
    2     1     5    35.00000  109.50000
    3     1     5    35.00000  109.50000
    3     1     2    35.00000  109.50000
    4     1     5    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    5    10    13    16   0.56750  1.0 1.0
    5    10    13    16  -0.07550 -1.0 2.0
    5    10    13    16   0.20000  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    19   0.65000  1.0 1.0
   10    13    16    19  -0.02500 -1.0 2.0
   10    13    16    19   0.10000  1.0 3.0
   10    13    16    17   0.15000  1.0 3.0
   10    13    16    18   0.15000  1.0 3.0
   13    16    19    22   1.36600  1.0 1.0
   13    16    19    22  -0.11450 -1.0 2.0
   13    16    19    22   0.24250  1.0 3.0
   13    16    19    20   0.15000  1.0 3.0
   13    16    19    21   0.15000  1.0 3.0
   16    19    22    23   0.17350  1.0 3.0
   16    19    22    24   0.17350  1.0 3.0
   16    19    22    25   0.17350  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    13   0.15000  1.0 3.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
   11    10    13    16   0.15000  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   12    10    13    16   0.15000  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   14    13    16    19   0.15000  1.0 3.0
   14    13    16    17   0.15000  1.0 3.0
   14    13    16    18   0.15000  1.0 3.0
   15    13    16    19   0.15000  1.0 3.0
   15    13    16    17   0.15000  1.0 3.0
   15    13    16    18   0.15000  1.0 3.0
   17    16    19    22   0.19200  1.0 3.0
   17    16    19    20   0.15000  1.0 3.0
   17    16    19    21   0.15000  1.0 3.0
   18    16    19    22   0.19200  1.0 3.0
   18    16    19    20   0.15000  1.0 3.0
   18    16    19    21   0.15000  1.0 3.0
   20    19    22    23   0.13050  1.0 3.0
   20    19    22    24   0.13050  1.0 3.0
   20    19    22    25   0.13050  1.0 3.0
   21    19    22    23   0.13050  1.0 3.0
   21    19    22    24   0.13050  1.0 3.0
   21    19    22    25   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
END
