* LIGAND DATABASE FILE (OPLS2001)
*
LYN      21    20     35     48     103
    1     0 M   N    _N__     1     1.33000   115.29875  -180.00000
    2     1 S   H    _H__    10     1.01000   120.00007    -0.00000
    3     1 M   CT1  _CA_     2     1.45478   122.90826  -180.00000
    4     3 S   HC   _HA_    11     1.09000   109.50008   -55.91969
    5     3 M   C    _C__     3     1.53467   109.41853   180.00000
    6     5 S   O    _O__     4     1.23139   121.10833    -0.00000
    7     3 S   CT   _CB_     5     1.53147   108.74476    55.91946
    8     7 S   HC   _HB2    12     1.09000   109.50024   -52.55076
    9     7 S   HC   _HB3    13     1.09000   109.50007    67.44959
   10     7 S   CT   _CG_     6     1.53176   113.32621  -172.55065
   11    10 S   HC   _HG2    14     1.09000   109.49981   -57.87651
   12    10 S   HC   _HG3    15     1.09000   109.49969    62.12342
   13    10 S   CT   _CD_     7     1.53382   114.47266  -177.87661
   14    13 S   HC   _HD2    16     1.09000   109.49994   -59.99875
   15    13 S   HC   _HD3    17     1.09000   109.50005    60.00122
   16    13 S   CT   _CE_     8     1.53460   115.24372  -180.00000
   17    16 S   HC   _HE2    18     1.09000   109.49997   -59.99860
   18    16 S   HC   _HE3    19     1.09000   109.50001    60.00146
   19    16 S   NT   _NZ_     9     1.47345   113.02798  -180.00000
   20    19 S   H    _HZ1    20     1.01000   109.50004   180.00000
   21    19 S   H    _HZ2    21     1.01000   109.49998   -60.00006
   9   4  10   6   5   1   9   5   4   9   5   4   8   5   4   5
   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    16     8     9    11    12    14    15  
    9    11    12    10    13  
   11    12    10    13  
   13    16    19    11    12    14    15    17    18  
   12    14    15    13    16  
   14    15    13    16  
   16    19    14    15    17    18    20    21  
   15    17    18    16    19  
   17    18    16    19  
   19    17    18    20    21  
   18    20    21    19  
   20    21    19  
   20    21  
   21  
    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   3.5000   0.0660  -0.1200   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   3.5000   0.0660   0.0600   1.9750   1.7500   0.000085900  -0.754493700
   17   2.5000   0.0150   0.0600   1.4250   1.2500   0.008394800   0.285390400
   18   2.5000   0.0150   0.0600   1.4250   1.2500   0.008394800   0.285390400
   19   3.3000   0.1700  -0.9000   1.8650   1.6500   0.052250900  -2.200427800
   20   0.5000   0.0300   0.3600   0.9960   0.8600   0.079817800  -1.129220000
   21   0.5000   0.0300   0.3600   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   268.000  1.529
   10    11   340.000  1.090
   10    12   340.000  1.090
   13    16   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   16    19   382.000  1.448
   16    17   340.000  1.090
   16    18   340.000  1.090
   19    20   434.000  1.010
   19    21   434.000  1.010
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    58.35000  112.70000
    7    10    11    37.50000  110.70000
    7    10    12    37.50000  110.70000
   10    13    16    58.35000  112.70000
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   13    16    19    56.20000  109.47000
   13    16    17    37.50000  110.70000
   13    16    18    37.50000  110.70000
   16    19    20    35.00000  109.50000
   16    19    21    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    37.50000  110.70000
   12    10    13    37.50000  110.70000
   12    10    11    33.00000  107.80000
   14    13    16    37.50000  110.70000
   15    13    16    37.50000  110.70000
   15    13    14    33.00000  107.80000
   17    16    19    35.00000  109.50000
   18    16    19    35.00000  109.50000
   18    16    17    33.00000  107.80000
   21    19    20    43.60000  106.40000
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   0.65000  1.0 1.0
    3     7    10    13  -0.02500 -1.0 2.0
    3     7    10    13   0.10000  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    16   0.65000  1.0 1.0
    7    10    13    16  -0.02500 -1.0 2.0
    7    10    13    16   0.10000  1.0 3.0
    7    10    13    14   0.15000  1.0 3.0
    7    10    13    15   0.15000  1.0 3.0
   10    13    16    19   1.19600  1.0 1.0
   10    13    16    19  -0.33700 -1.0 2.0
   10    13    16    19   0.27500  1.0 3.0
   10    13    16    17   0.15000  1.0 3.0
   10    13    16    18   0.15000  1.0 3.0
   13    16    19    20  -0.09500  1.0 1.0
   13    16    19    20  -0.20850 -1.0 2.0
   13    16    19    20   0.20900  1.0 3.0
   13    16    19    21  -0.09500  1.0 1.0
   13    16    19    21  -0.20850 -1.0 2.0
   13    16    19    21   0.20900  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   0.15000  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   0.15000  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    16   0.15000  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   0.15000  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    19  -0.50650  1.0 1.0
   14    13    16    19  -0.35450 -1.0 2.0
   14    13    16    19   0.23650  1.0 3.0
   14    13    16    17   0.15000  1.0 3.0
   14    13    16    18   0.15000  1.0 3.0
   15    13    16    19  -0.50650  1.0 1.0
   15    13    16    19  -0.35450 -1.0 2.0
   15    13    16    19   0.23650  1.0 3.0
   15    13    16    17   0.15000  1.0 3.0
   15    13    16    18   0.15000  1.0 3.0
   17    16    19    20   0.20000  1.0 3.0
   17    16    19    21   0.20000  1.0 3.0
   18    16    19    20   0.20000  1.0 3.0
   18    16    19    21   0.20000  1.0 3.0
IPHI
END
