* LIGAND DATABASE FILE (OPLS2001)
*
NMA       6     5      7      3      15
    1     0 M   N    _N__     1     1.34016   115.34229   179.98022
    2     1 S   H    _H__     3     1.01000   120.00000    -0.02798
    3     1 M   CT   _CA_     2     1.45576   123.01440   180.00000
    4     3 S   HC   _HA1     4     1.09000   109.49998  -180.00000
    5     3 S   HC   _HA2     5     1.09000   109.50001   -60.00011
    6     3 S   HC   _HA3     6     1.09000   109.50003    60.00005
   5   4   3   2   1   1
    3     2     4     5     6  
    4     5     6     3  
    4     5     6  
    5     6  
    6  
    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   2.5000   0.0300   0.0600   1.4250   1.2500   0.008394800   0.285390400
BOND
    1     3   337.000  1.449
    1     2   434.000  1.010
    3     4   340.000  1.090
    3     5   340.000  1.090
    3     6   340.000  1.090
THET
    1     3     4    35.00000  109.50000
    1     3     5    35.00000  109.50000
    1     3     6    35.00000  109.50000
    2     1     3    38.00000  118.40000
    5     3     4    33.00000  107.80000
    6     3     4    33.00000  107.80000
    6     3     5    33.00000  107.80000
PHI
    2     1     3     4   0.00000  1.0 1.0
    2     1     3     5   0.00000  1.0 1.0
    2     1     3     6   0.00000  1.0 1.0
IPHI
END
