* LIGAND DATABASE FILE (OPLS2001)
*
GLU      15    14     23     31      67
    1     0 M   N    _N__     1     1.33000   115.40384  -180.00000
    2     1 S   H    _H__    10     1.01000   119.99998     0.02798
    3     1 M   CT1  _CA_     2     1.44928   123.54835   180.00000
    4     3 S   HC   _HA_    11     1.09000   109.50005   -55.57078
    5     3 M   C    _C__     3     1.53510   110.00728  -180.00000
    6     5 S   O    _O__     4     1.23085   121.41187    -0.02798
    7     3 S   CT   _CB_     5     1.53796   110.62423    55.57080
    8     7 S   HC   _HB2    12     1.09000   109.49996   -59.99177
    9     7 S   HC   _HB3    13     1.09000   109.49989    60.00814
   10     7 S   CT   _CG_     6     1.53700   116.72095  -180.00000
   11    10 S   HC   _HG2    14     1.09000   109.49998   -59.98676
   12    10 S   HC   _HG3    15     1.09000   109.49995    60.01317
   13    10 S   CO3  _CD_     7     1.52572   116.25992  -180.00000
   14    13 S   O2   _OE1     8     1.25153   117.80951    90.03558
   15    13 S   O2   _OE2     9     1.24870   116.58380   -90.21992
   9   4  10   6   5   1   8   5   4   5   4   3   2   1   1
    3     5     6     7    10     2     4     8     9  
    4     3     5     7  
    5     6     7    10    13     4     8     9    11    12  
    8     9     5     6     7    10  
    6     7    10     8     9  
    7  
   10    13    14    15     8     9    11    12  
    9    11    12    10    13  
   11    12    10    13  
   13    14    15    11    12  
   12    13    14    15  
   13    14    15  
   14    15  
   15  
    0  
NBON
    1   3.2500   0.1700  -0.5000   1.9200   1.7000   0.168599800  -5.228863800
    2   0.5000   0.0300   0.3000   0.9960   0.8600   0.079817800  -1.129220000
    3   3.5000   0.0660   0.1400   1.9750   1.7500   0.000085900  -0.754493700
    4   2.5000   0.0300   0.0600   1.4250   1.2500   0.008394800   0.285390400
    5   3.7500   0.1050   0.5000   2.1120   1.8750  -0.026933700  -0.722204000
    6   2.9600   0.2100  -0.5000   1.6780   1.4800   0.010478200   0.635855300
    7   3.5000   0.0660  -0.1200   1.9750   1.7500   0.000085900  -0.754493700
    8   2.5000   0.0300   0.0600   1.4250   1.2500   0.008394800   0.285390400
    9   2.5000   0.0300   0.0600   1.4250   1.2500   0.008394800   0.285390400
   10   3.5000   0.0660  -0.2200   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   3.7500   0.1050   0.7000   2.1120   1.8750  -0.026933700  -0.722204000
   14   2.9600   0.2100  -0.8000   1.6780   1.4800  -0.350477400  15.005156000
   15   2.9600   0.2100  -0.8000   1.6780   1.4800  -0.350477400  15.005156000
BOND
    1     3   337.000  1.449
    1     2   434.000  1.010
    3     5   317.000  1.522
    3     7   268.000  1.529
    3     4   340.000  1.090
    5     6   570.000  1.229
    7    10   268.000  1.529
    7     8   340.000  1.090
    7     9   340.000  1.090
   10    13   317.000  1.522
   10    11   340.000  1.090
   10    12   340.000  1.090
   13    14   656.000  1.250
   13    15   656.000  1.250
THET
    1     3     5    63.00000  110.10000
    1     3     7    80.00000  109.70000
    1     3     4    35.00000  109.50000
    3     5     6    80.00000  120.40000
    3     7    10    58.35000  112.70000
    3     7     8    37.50000  110.70000
    3     7     9    37.50000  110.70000
    7     3     5    63.00000  111.10000
    7    10    13    63.00000  111.10000
    7    10    11    37.50000  110.70000
    7    10    12    37.50000  110.70000
   10    13    14    70.00000  117.00000
   10    13    15    70.00000  117.00000
   15    13    14    80.00000  126.00000
    2     1     3    38.00000  118.40000
    4     3     5    35.00000  109.50000
    4     3     7    37.50000  110.70000
    8     7    10    37.50000  110.70000
    9     7    10    37.50000  110.70000
    9     7     8    33.00000  107.80000
   11    10    13    35.00000  109.50000
   12    10    13    35.00000  109.50000
   12    10    11    33.00000  107.80000
PHI
    1     3     5     6   0.00000  1.0 1.0
    1     3     7    10   1.79450  1.0 1.0
    1     3     7    10   1.06000 -1.0 2.0
    1     3     7    10  -0.53000  1.0 3.0
    1     3     7     8   0.23200  1.0 3.0
    1     3     7     9   0.23200  1.0 3.0
    3     7    10    13  -1.59250  1.0 1.0
    3     7    10    13  -0.41250 -1.0 2.0
    3     7    10    13   0.24650  1.0 3.0
    3     7    10    11   0.15000  1.0 3.0
    3     7    10    12   0.15000  1.0 3.0
    5     3     7    10  -0.76350  1.0 1.0
    5     3     7    10   1.70300 -1.0 2.0
    5     3     7     8  -0.03800  1.0 3.0
    5     3     7     9  -0.03800  1.0 3.0
    7     3     5     6   0.00000  1.0 1.0
    7    10    13    14   0.27300 -1.0 2.0
    7    10    13    15   0.27300 -1.0 2.0
    2     1     3     5   0.00000  1.0 1.0
    2     1     3     7   0.00000  1.0 1.0
    2     1     3     4   0.00000  1.0 1.0
    4     3     5     6   0.00000  1.0 1.0
    4     3     7    10   0.15000  1.0 3.0
    4     3     7     8   0.15000  1.0 3.0
    4     3     7     9   0.15000  1.0 3.0
    8     7    10    13  -0.11250  1.0 3.0
    8     7    10    11   0.15000  1.0 3.0
    8     7    10    12   0.15000  1.0 3.0
    9     7    10    13  -0.11250  1.0 3.0
    9     7    10    11   0.15000  1.0 3.0
    9     7    10    12   0.15000  1.0 3.0
   11    10    13    14   0.00000  1.0 1.0
   11    10    13    15   0.00000  1.0 1.0
   12    10    13    14   0.00000  1.0 1.0
   12    10    13    15   0.00000  1.0 1.0
IPHI
   15    10    13    14  10.50000 -1.0 2.0
END
