* LIGAND DATABASE FILE (OPLS2005)
* File generated with peleffy-1.0.0+94.g15a82d9.dirty
*
UNL      10     9    13      18       0
    1     0 M  CT    _C2_     0    1.351681  122.976486   -1.401441
    2     1 M  HC    _H1_     0    1.115174  129.960154 -125.800180
    3     1 M  HC    _H2_     0    1.104475  141.443968  127.264070
    4     1 S  CO3   _C1_     0    1.471015  154.513939   -8.710222
    5     1 S  C     _C3_     0    1.471246  113.290420   32.282884
    6     4 S  O2Z   _O1_     0    1.248148  147.066621  -42.333451
    7     4 S  O2Z   _O2_     0    1.378430  148.634167  137.606235
    8     5 S  OH    _O3_     0    1.400505  150.092585   34.077933
    9     5 S  O     _O4_     0    1.239650  147.366131 -145.846157
   10     8 S  HO    _H3_     0    1.010543  142.604914  -86.560488
NBON
     1   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
     2   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
     3   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
     4   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
     5   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
     6   2.9600   0.2100  -0.800000   1.8650   1.6500   0.020881802  -0.347800883
     7   2.9600   0.2100  -0.800000   1.6780   1.4800   0.001000000  -0.126889456
     8   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
     9   2.9600   0.2100  -0.440000   1.6780   1.4800   0.001000000  -0.126889456
    10   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
BOND
     6     4   656.000  1.250
     4     7   656.000  1.250
     4     1   317.000  1.522
     1     5   317.000  1.522
     1     2   340.000  1.090
     1     3   340.000  1.090
     5     8   450.000  1.364
     5     9   570.000  1.229
     8    10   553.000  0.945
THET
     6     4     7    80.00000  126.00000
     6     4     1    70.00000  117.00000
     7     4     1    70.00000  117.00000
     4     1     5    75.00000  103.47400
     4     1     2    35.00000  109.50000
     4     1     3    35.00000  109.50000
     5     1     2    35.00000  109.50000
     5     1     3    35.00000  109.50000
     2     1     3    33.00000  107.80000
     1     5     8    70.00000  108.00000
     1     5     9    80.00000  120.40000
     8     5     9   100.00000  123.32000
     5     8    10    35.00000  113.00000
PHI
    6     4     1     5   0.30150 -1.0 2.0
    6     4     1     2   0.00000  1.0 1.0
    6     4     1     3   0.00000  1.0 1.0
    7     4     1     5   0.30150 -1.0 2.0
    7     4     1     2   0.00000  1.0 1.0
    7     4     1     3   0.00000  1.0 1.0
    4     1     5     8   0.40000  1.0 3.0
    4     1     5     9   0.30150 -1.0 2.0
    2     1     5     8   0.00000  1.0 1.0
    2     1     5     9   0.00000  1.0 1.0
    3     1     5     8   0.00000  1.0 1.0
    3     1     5     9   0.00000  1.0 1.0
    1     5     8    10   1.50000  1.0 1.0
    1     5     8    10   2.45000 -1.0 2.0
    9     5     8    10   0.92200  1.0 1.0
    9     5     8    10   3.74100 -1.0 2.0
IPHI
     7     1     4     6  10.50000 -1.0 2.0
     1     8     5     9  10.50000 -1.0 2.0
END
