* LIGAND DATABASE FILE (OPLS2001)
*
MET      17    16     27     30      73
    1     0 M   N    _N__     1     1.33000   115.48597  -180.00000
    2     1 S   H    _H__     9     1.01000   120.00002     0.01978
    3     1 M   CT1  _CA_     2     1.45853   122.47984  -180.00000
    4     3 S   HC   _HA_    10     1.09000   109.49999   -53.58838
    5     3 M   C    _C__     3     1.53831   109.48946   179.98022
    6     5 S   O    _O__     4     1.23082   121.31512     0.00000
    7     3 S   CT   _CB_     5     1.54477   111.19625    53.58830
    8     7 S   HC   _HB2    11     1.09000   109.49999   -59.99672
    9     7 S   HC   _HB3    12     1.09000   109.49998    60.00324
   10     7 S   CT   _CG_     6     1.53790   118.05683  -180.00000
   11    10 S   HC   _HG2    13     1.09000   109.49996   -60.01234
   12    10 S   HC   _HG3    14     1.09000   109.49997    59.98764
   13    10 S   S    _SD_     7     1.81124   118.50436   179.98022
   14    13 S   CT   _CE_     8     1.81056    99.04304  -180.00000
   15    14 S   HC   _HE1    15     1.09000   109.50001  -180.00000
   16    14 S   HC   _HE2    16     1.09000   109.49999   -59.99992
   17    14 S   HC   _HE3    17     1.09000   109.49997    59.99998
   9   4  10   6   5   1   7   5   4   7   3   2   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     8     9    11    12  
    9    11    12    10    13  
   11    12    10    13  
   13    14    11    12    15    16    17  
   12    13    14  
   13    14  
   14    15    16    17  
   15    16    17  
   16    17  
   17  
    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   0.0475   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   3.6000   0.3550  -0.3350   2.0300   1.8000   0.036234600  -1.946073900
   14   3.5000   0.0660  -0.0125   1.9750   1.7500   0.000085900  -0.754493700
   15   2.5000   0.0300   0.0600   1.4250   1.2500   0.008394800   0.285390400
   16   2.5000   0.0300   0.0600   1.4250   1.2500   0.008394800   0.285390400
   17   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     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   222.000  1.810
   10    11   340.000  1.090
   10    12   340.000  1.090
   13    14   222.000  1.810
   14    15   340.000  1.090
   14    16   340.000  1.090
   14    17   340.000  1.090
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    50.00000  114.70000
    7    10    11    37.50000  110.70000
    7    10    12    37.50000  110.70000
   10    13    14    62.00000   98.90000
   13    14    15    35.00000  109.50000
   13    14    16    35.00000  109.50000
   13    14    17    35.00000  109.50000
    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
   16    14    15    33.00000  107.80000
   17    14    15    33.00000  107.80000
   17    14    16    33.00000  107.80000
PHI
    1     3     5     6   0.00000  1.0 1.0
    1     3     7    10   0.74650  1.0 1.0
    1     3     7    10   0.09950 -1.0 2.0
    1     3     7    10  -0.04900  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   1.30950  1.0 1.0
    3     7    10    13  -0.31000 -1.0 2.0
    3     7    10    13   0.12900  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   0.19200  1.0 1.0
    5     3     7    10  -0.38100 -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   0.46250  1.0 1.0
    7    10    13    14  -0.28800 -1.0 2.0
    7    10    13    14   0.33850  1.0 3.0
   10    13    14    15   0.32350  1.0 3.0
   10    13    14    16   0.32350  1.0 3.0
   10    13    14    17   0.32350  1.0 3.0
    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   0.22600  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   0.22600  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   0.32350  1.0 3.0
   12    10    13    14   0.32350  1.0 3.0
IPHI
END
