* LIGAND DATABASE FILE (OPLS2001)
*
GLYE      8     7     10     10      26
    1     0 M   N    _N__     2     1.38000   116.08761   180.00000
    2     1 S   H    _H__     1     1.00921   118.90864     0.00000
    3     1 M   CT1  _CA_     3     1.45576   123.07880  -180.00000
    4     3 S   HC   _HA2     7     1.11300   108.85191   -59.58700
    5     3 S   HC   _HA3     8     1.11300   108.85184    59.58712
    6     3 M   CO3  _C__     4     1.52857   112.00253  -180.00000
    7     6 S   O2   _O__     5     1.22904   119.73873     0.01978
    8     6 S   O2   _OXT     6     1.33107   116.08756  -179.98022
   7   4   5   4   3   2   1   1
    3     6     7     8     4     5     2  
    3     6     4     5  
    6     7     8     4     5  
    5     6     7     8  
    6     7     8  
    7     8  
    8  
    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  -0.0200   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   0.7000   2.1120   1.8750  -0.026933700  -0.722204000
    7   2.9600   0.2100  -0.8000   1.6780   1.4800  -0.350477400  15.005156000
    8   2.9600   0.2100  -0.8000   1.6780   1.4800  -0.350477400  15.005156000
BOND
    2     1   434.000  1.010
    1     3   337.000  1.449
    3     6   317.000  1.522
    3     4   340.000  1.090
    3     5   340.000  1.090
    6     7   656.000  1.250
    6     8   656.000  1.250
THET
    2     1     3    38.00000  118.40000
    1     3     6    63.00000  110.10000
    1     3     4    35.00000  109.50000
    1     3     5    35.00000  109.50000
    3     6     7    70.00000  117.00000
    3     6     8    70.00000  117.00000
    8     6     7    80.00000  126.00000
    4     3     6    35.00000  109.50000
    5     3     6    35.00000  109.50000
    5     3     4    33.00000  107.80000
PHI
    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
    1     3     6     7   0.00000  1.0 1.0
    1     3     6     8   0.00000  1.0 1.0
    4     3     6     7   0.00000  1.0 1.0
    4     3     6     8   0.00000  1.0 1.0
    5     3     6     7   0.00000  1.0 1.0
    5     3     6     8   0.00000  1.0 1.0
IPHI
    8     3     6     7  10.50000 -1.0 2.0
END
