* LIGAND DATABASE FILE (OPLS2001)
*
GLUZ     18    17     30     41      86
    1     0 M   N3   _N__     1    18.63090    87.81954  -129.04846
    2     1 S   H    _H1_    16     1.01000    72.15453  -155.74539
    3     1 S   H    _H2_    17     1.01061   152.71811   -57.79820
    4     1 S   H    _H3_    18     1.01026    94.85702    95.36458
    5     1 M   CT   _CA_     2     1.44988    48.32188   -16.55807
    6     5 S   HC   _HA_    11     1.11361   107.93207  -103.66001
    7     5 M   C    _C__     3     1.53462   110.01122   138.69733
    8     7 S   O2   _O__     4     1.23075   121.45149     0.01978
    9     7 S   O2   _OXT    10     1.36405   115.30748  -179.96044
   10     5 S   CT   _CB_     5     1.53739   110.57552    14.23803
   11    10 S   HC   _HB2    12     1.11244   107.72039   -58.86570
   12    10 S   HC   _HB3    13     1.11338   107.65711    58.96944
   13    10 S   CT   _CG_     6     1.53751   116.72350  -179.98022
   14    13 S   HC   _HG2    14     1.11350   107.73111   -58.96328
   15    13 S   HC   _HG3    15     1.11234   107.74182    59.01407
   16    13 S   CO3  _CD_     7     1.52552   116.29632  -179.94065
   17    16 S   O2   _OE1     8     1.25130   117.81636    89.96708
   18    16 S   O2   _OE2     9     1.24916   116.55705   -90.17945
  12   6   5   4  11   7   6   2   1   8   5   4   5   4   3   2
   1   1
    5     7     8    10    13     9     6    11    12     2     3     4  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    7     8    10    13    16     9     6    11    12    14    15  
   11    12     7     8     9    10    13  
    8    10    13     9    11    12  
   10     9  
   10  
   13    16    17    18    11    12    14    15  
   12    14    15    13    16  
   14    15    13    16  
   16    17    18    14    15  
   15    16    17    18  
   16    17    18  
   17    18  
   18  
    0  
NBON
    1   3.2500   0.1700  -0.3520   2.1000   1.6250  -0.100907100   4.805719700
    2   0.5000   0.0300   0.3170   0.9960   0.8600   0.079817800  -1.129220000
    3   0.5000   0.0300   0.3170   0.9960   0.8600   0.079817800  -1.129220000
    4   0.5000   0.0300   0.3170   0.9960   0.8600   0.079817800  -1.129220000
    5   3.5000   0.0660   0.0450   1.9750   1.7500   0.000085900  -0.754493700
    6   2.5000   0.0300   0.0740   1.4250   1.2500   0.008394800   0.285390400
    7   3.7500   0.1050   0.7000   2.1120   1.8750  -0.026933700  -0.722204000
    8   2.9600   0.2100  -0.7090   1.6780   1.4800  -0.350477400  15.005156000
    9   2.9600   0.2100  -0.7090   1.6780   1.4800  -0.350477400  15.005156000
   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   3.5000   0.0660  -0.2200   1.9750   1.7500   0.000085900  -0.754493700
   14   2.5000   0.0300   0.0600   1.4250   1.2500   0.008394800   0.285390400
   15   2.5000   0.0300   0.0600   1.4250   1.2500   0.008394800   0.285390400
   16   3.7500   0.1050   0.7000   2.1120   1.8750  -0.026933700  -0.722204000
   17   2.9600   0.2100  -0.8000   1.6780   1.4800  -0.350477400  15.005156000
   18   2.9600   0.2100  -0.8000   1.6780   1.4800  -0.350477400  15.005156000
BOND
    1     5   367.000  1.471
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    5     7   317.000  1.522
    5    10   268.000  1.529
    5     6   340.000  1.090
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    13   268.000  1.529
   10    11   340.000  1.090
   10    12   340.000  1.090
   13    16   317.000  1.522
   13    14   340.000  1.090
   13    15   340.000  1.090
   16    17   656.000  1.250
   16    18   656.000  1.250
THET
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    1     5     6    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    13    58.35000  112.70000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    16    63.00000  111.10000
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   13    16    17    70.00000  117.00000
   13    16    18    70.00000  117.00000
   18    16    17    80.00000  126.00000
    9     7     8    80.00000  126.00000
    6     5     7    35.00000  109.50000
    6     5    10    37.50000  110.70000
   11    10    13    37.50000  110.70000
   12    10    13    37.50000  110.70000
   12    10    11    33.00000  107.80000
   14    13    16    35.00000  109.50000
   15    13    16    35.00000  109.50000
   15    13    14    33.00000  107.80000
    2     1     5    35.00000  109.50000
    3     1     5    35.00000  109.50000
    3     1     2    35.00000  109.50000
    4     1     5    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    5    10    13    16  -1.63150  1.0 1.0
    5    10    13    16  -0.43550 -1.0 2.0
    5    10    13    16   0.24500  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.27300 -1.0 2.0
   10    13    16    18   0.27300 -1.0 2.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    13   0.15000  1.0 3.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   18    13    16    17  10.50000 -1.0 2.0
END
