* LIGAND DATABASE FILE (openff_unconstrained-1.2.1.offxml)
* File generated with peleffy-1.3.4+0.ge91a3a1.dirty
* Compatible with PELE's AMBER implementation
*
UNL      10     9    13      25       0
    1     0 M  OFFT  _C2_     0    1.351681  122.976486   -1.401441
    2     1 M  OFFT  _H1_     0    1.115174  129.960154 -125.800180
    3     1 M  OFFT  _H2_     0    1.104475  141.443968  127.264070
    4     1 S  OFFT  _C1_     0    1.471015  154.513939   -8.710222
    5     1 S  OFFT  _C3_     0    1.471246  113.290420   32.282884
    6     4 S  OFFT  _O1_     0    1.248148  147.066621  -42.333451
    7     4 S  OFFT  _O2_     0    1.378430  148.634167  137.606235
    8     5 S  OFFT  _O3_     0    1.400505  150.092585   34.077933
    9     5 S  OFFT  _O4_     0    1.239650  147.366131 -145.846157
   10     8 S  OFFT  _H3_     0    1.010543  142.604914  -86.560488
NBON
     1   1.9080   0.1094  -0.269400   0.0000   1.6998   0.000000000   0.000000000
     2   1.4870   0.0157   0.061700   0.0000   1.3248   0.000000000   0.000000000
     3   1.4870   0.0157   0.061700   0.0000   1.3248   0.000000000   0.000000000
     4   1.9080   0.0860   0.934600   0.0000   1.6998   0.000000000   0.000000000
     5   1.9080   0.0860   0.681100   0.0000   1.6998   0.000000000   0.000000000
     6   1.6612   0.2100  -0.824300   0.0000   1.4800   0.000000000   0.000000000
     7   1.6612   0.2100  -0.824300   0.0000   1.4800   0.000000000   0.000000000
     8   1.7210   0.2104  -0.624100   0.0000   1.5332   0.000000000   0.000000000
     9   1.6612   0.2100  -0.612000   0.0000   1.4800   0.000000000   0.000000000
    10   0.3000   0.0001   0.414000   0.0000   0.2673   0.000000000   0.000000000
BOND
     6     4   580.529  1.258
     4     7   580.529  1.258
     4     1   332.575  1.524
     1     5   332.575  1.524
     1     2   376.894  1.094
     1     3   376.894  1.094
     5     8   387.876  1.369
     5     9   608.329  1.225
     8    10   556.995  0.974
THET
     6     4     7   205.49111  129.05414
     6     4     1    78.67881  128.27719
     4     1     5    50.00416  110.81136
     4     1     2    50.00416  110.81136
     4     1     3    50.00416  110.81136
     7     4     1    78.67881  128.27719
     1     5     8    78.67881  128.27719
     1     5     9    78.67881  128.27719
     5     1     2    50.00416  110.81136
     5     1     3    50.00416  110.81136
     5     8    10    63.95595  110.94623
     8     5     9   205.49111  129.05414
     2     1     3    33.78876  110.24686
PHI
    6     4     1     5  -0.39977  1.0 2.0
    6     4     1     2   0.51072  1.0 1.0
    6     4     1     3   0.51072  1.0 1.0
    4     1     5     8   0.14940  1.0 3.0
    4     1     5     9  -0.39977  1.0 2.0
    7     4     1     5   0.14940  1.0 3.0
    7     4     1     2   0.14940  1.0 3.0
    7     4     1     3   0.14940  1.0 3.0
    1     5     8    10   2.52911 -1.0 2.0
    8     5     1     2   0.14940  1.0 3.0
    8     5     1     3   0.14940  1.0 3.0
    9     5     1     2   0.51072  1.0 1.0
    9     5     1     3   0.51072  1.0 1.0
    9     5     8    10   2.23793 -1.0 2.0
    6     4     1     2  -0.02752  1.0 2.0
    6     4     1     3  -0.02752  1.0 2.0
    9     5     1     2  -0.02752  1.0 2.0
    9     5     1     3  -0.02752  1.0 2.0
    9     5     8    10   1.23729  1.0 1.0
    6     4     1     2  -0.10575 -1.0 3.0
    6     4     1     3  -0.10575 -1.0 3.0
    9     5     1     2  -0.10575 -1.0 3.0
    9     5     1     3  -0.10575 -1.0 3.0
IPHI
     6     4     7     1  10.50000 -1.0 2.0
     1     5     8     9  10.50000 -1.0 2.0
END
