* LIGAND DATABASE FILE (OPLS2001)
*
GLY       7     6      8      6      20
    1     0 M   N    _N__     1     1.33000   115.34851  -180.00000
    2     1 S   H    _H__     5     1.01000   119.99999    -0.02798
    3     1 M   CT1  _CA_     2     1.45576   123.07879   180.00000
    4     3 S   HC   _HA2     6     1.09000   109.49994   -59.99998
    5     3 S   HC   _HA3     7     1.09000   109.49999    59.99998
    6     3 M   C    _C__     3     1.52857   112.00246   180.00000
    7     6 S   O    _O__     4     1.22903   119.73880    -0.02798
   6   4   4   3   2   1   1
    3     6     7     2     4     5  
    4     5     3     6  
    6     7     4     5  
    5     6     7  
    6     7  
    7  
    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   0.0800   1.9750   1.7500   0.000085900  -0.754493700
    4   2.5000   0.0300   0.0600   1.4250   1.2500   0.008394800   0.285390400
    5   2.5000   0.0300   0.0600   1.4250   1.2500   0.008394800   0.285390400
    6   3.7500   0.1050   0.5000   2.1120   1.8750  -0.026933700  -0.722204000
    7   2.9600   0.2100  -0.5000   1.6780   1.4800   0.010478200   0.635855300
BOND
    1     3   337.000  1.449
    1     2   434.000  1.010
    3     6   317.000  1.522
    3     4   340.000  1.090
    3     5   340.000  1.090
    6     7   570.000  1.229
THET
    1     3     6    63.00000  110.10000
    1     3     4    35.00000  109.50000
    1     3     5    35.00000  109.50000
    3     6     7    80.00000  120.40000
    2     1     3    38.00000  118.40000
    4     3     6    35.00000  109.50000
    5     3     6    35.00000  109.50000
    5     3     4    33.00000  107.80000
PHI
    1     3     6     7   0.00000  1.0 1.0
    2     1     3     6   0.00000  1.0 1.0
    2     1     3     4   0.00000  1.0 1.0
    2     1     3     5   0.00000  1.0 1.0
    4     3     6     7   0.00000  1.0 1.0
    5     3     6     7   0.00000  1.0 1.0
IPHI
END
