* LIGAND DATABASE FILE (OPLS2001)
*
ACE       6     5      7      3      15
    1     0 M   HC   HH31     6    1.000000   90.000000  180.000000
    2     1 M   CT0  _CA_     6    1.090000   90.000000  180.000000
    3     2 S   HC   HH32     3    1.090000  109.500000   60.000000
    4     2 S   HC   HH33     4    1.090000  109.500000  300.000000
    5     2 M   C    _C__     6    1.530000  111.100000  180.000000
    6     5 S   O    _O__     6    1.229000  120.500000    0.000000
   5   4   3   2   1   1
    5     6     2     3     4  
    3     4     5     6  
    4     5     6  
    5     6  
    6  
    0  
NBON
    1   2.5000   0.0300   0.0600   1.4250   1.2500   0.008394800   0.285390400
    2   3.5000   0.0660  -0.1800   1.9750   1.7500   0.000085900  -0.754493700
    3   2.5000   0.0300   0.0600   1.4250   1.2500   0.008394800   0.285390400
    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
BOND
    2     5   317.000  1.522
    1     2   340.000  1.090
    2     3   340.000  1.090
    2     4   340.000  1.090
    5     6   570.000  1.229
THET
    2     5     6    80.00000  120.40000
    1     2     5    35.00000  109.50000
    3     2     5    35.00000  109.50000
    3     2     1    33.00000  107.80000
    4     2     5    35.00000  109.50000
    4     2     1    33.00000  107.80000
    4     2     3    33.00000  107.80000
PHI
    1     2     5     6   0.00000  1.0 1.0
    3     2     5     6   0.00000  1.0 1.0
    4     2     5     6   0.00000  1.0 1.0
IPHI
END
