* LIGAND DATABASE FILE (OPLS2001)
*
GLH      16    15     24     33      71
    1     0 M   N    _N__     1     1.33000   115.33288  -180.00000
    2     1 S   H    _H__    10     1.01000   120.00015    -0.02798
    3     1 M   CT1  _CA_     2     1.44928   123.54804  -179.98022
    4     3 S   HC   _HA_    11     1.09000   109.49982   -55.57111
    5     3 M   C    _C__     3     1.53510   110.00705   180.00000
    6     5 S   O    _O__     4     1.23085   121.41169    -0.02798
    7     3 S   CT   _CB_     5     1.53796   110.62430    55.57075
    8     7 S   HC   _HB2    12     1.09000   109.49990   -59.99176
    9     7 S   HC   _HB3    13     1.09000   109.49974    60.00804
   10     7 S   CT   _CG_     6     1.53700   116.72079  -179.98022
   11    10 S   HC   _HG2    14     1.09000   109.49997   -59.98684
   12    10 S   HC   _HG3    15     1.09000   109.49984    60.01320
   13    10 S   C    _CD_     7     1.52572   116.25974  -179.98022
   14    13 S   O    _OE1     8     1.25153   117.80949    90.03566
   15    13 S   OH1  _OE2     9     1.24870   116.58386   -90.22023
   16    15 S   HO   _HE2    16     0.96000   109.50008  -180.00000
   9   4  10   6   5   1   8   5   4   6   4   3   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    15     8     9    11    12  
    9    11    12    10    13  
   11    12    10    13  
   13    14    15    11    12    16  
   12    13    14    15  
   13    14    15  
   14    15    16  
   15    16  
   16  
    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  -0.1200   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   3.7500   0.1050   0.5200   2.1120   1.8750  -0.026933700  -0.722204000
   14   2.9600   0.2100  -0.4400   1.6780   1.4800   0.010478200   0.635855300
   15   3.0000   0.1700  -0.5300   1.7000   1.5000   0.009360800   0.302472000
   16   0.5000   0.0300   0.4500   0.9960   0.8600   0.079817800  -1.129220000
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   317.000  1.522
   10    11   340.000  1.090
   10    12   340.000  1.090
   13    14   570.000  1.229
   13    15   450.000  1.364
   15    16   553.000  0.945
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    63.00000  111.10000
    7    10    11    37.50000  110.70000
    7    10    12    37.50000  110.70000
   10    13    14    80.00000  120.40000
   10    13    15    70.00000  108.00000
   13    15    16    35.00000  113.00000
   15    13    14    80.00000  121.00000
    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
PHI
    1     3     5     6   0.00000  1.0 1.0
    1     3     7    10   0.42250  1.0 1.0
    1     3     7    10  -0.48100 -1.0 2.0
    1     3     7    10   0.35650  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  -0.84850  1.0 1.0
    3     7    10    13  -0.22800 -1.0 2.0
    3     7    10    13   0.29250  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  -0.84850  1.0 1.0
    5     3     7    10  -0.22800 -1.0 2.0
    5     3     7    10   0.29250  1.0 3.0
    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   0.27300 -1.0 2.0
    7    10    13    15   0.50000  1.0 1.0
    7    10    13    15   0.27300 -1.0 2.0
    7    10    13    15   0.22500  1.0 3.0
   10    13    15    16   1.50000  1.0 1.0
   10    13    15    16   2.45000 -1.0 2.0
   14    13    15    16   2.45000 -1.0 2.0
    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  -0.11250  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  -0.11250  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   0.00000  1.0 1.0
   11    10    13    15   0.00000  1.0 1.0
   12    10    13    14   0.00000  1.0 1.0
   12    10    13    15   0.00000  1.0 1.0
IPHI
   10    15    13    14  10.50000 -1.0 2.0
END
