* LIGAND DATABASE FILE (OPLS2001)
*
GLYB      9     8     13     12      33
    1     0 M   N3   _N__     1    34.97262   116.36172  -158.46321
    2     1 S   H    _H1_     7     1.01000    94.27401  -162.94456
    3     1 S   H    _H2_     8     1.01000   154.31641    -5.19135
    4     1 S   H    _H3_     9     1.01000    69.81704    87.89873
    5     1 M   CT1  _CA_     2     1.45576    50.96351   -51.20723
    6     5 S   HC   _HA2     5     1.11300   108.85194  -138.90558
    7     5 S   HC   _HA3     6     1.11300   108.85187   -19.73152
    8     5 M   C    _C__     3     1.52857   112.00257   100.68139
    9     8 S   O    _O__     4     1.22903   119.73870    -0.01978
   8   6   5   4   4   3   2   1   1
    5     8     9     6     7     2     3     4  
    3     4     5     6     7     8  
    4     5     6     7     8  
    5     6     7     8  
    8     9     6     7  
    7     8     9  
    8     9  
    9  
    0  
NBON
    1   3.2500   0.1700  -0.3000   2.1000   1.6250  -0.100907100   4.805719700
    2   0.5000   0.0300   0.3300   0.9960   0.8600   0.079817800  -1.129220000
    3   0.5000   0.0300   0.3300   0.9960   0.8600   0.079817800  -1.129220000
    4   0.5000   0.0300   0.3300   0.9960   0.8600   0.079817800  -1.129220000
    5   3.5000   0.0660   0.1900   1.9750   1.7500   0.000085900  -0.754493700
    6   2.5000   0.0300   0.0600   1.4250   1.2500   0.008394800   0.285390400
    7   2.5000   0.0300   0.0600   1.4250   1.2500   0.008394800   0.285390400
    8   3.7500   0.1050   0.5000   2.1120   1.8750  -0.026933700  -0.722204000
    9   2.9600   0.2100  -0.5000   1.6780   1.4800   0.010478200   0.635855300
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     8   317.000  1.522
    5     6   340.000  1.090
    5     7   340.000  1.090
    8     9   570.000  1.229
THET
    1     5     8    80.00000  111.20000
    1     5     6    35.00000  109.50000
    1     5     7    35.00000  109.50000
    5     8     9    80.00000  120.40000
    6     5     8    35.00000  109.50000
    7     5     8    35.00000  109.50000
    7     5     6    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     8     9   0.00000  1.0 1.0
    6     5     8     9   0.00000  1.0 1.0
    7     5     8     9   0.00000  1.0 1.0
    2     1     5     8   0.17350  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.13050  1.0 3.0
    3     1     5     8   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.13050  1.0 3.0
    4     1     5     8   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.13050  1.0 3.0
IPHI
END
