* LIGAND DATABASE FILE (openff_unconstrained-1.2.0.offxml)
* File generated with peleffy-1.1.0+19.gf23f003.dirty
*
UNK      16    16    26      40       0
    1     0 M  OFFT  _C1_     0    1.317292  143.024790  145.493672
    2     1 M  OFFT  _C2_     0    1.378178  121.479848  135.261146
    3     1 M  OFFT  _H1_     0    1.068815  174.514851   27.464242
    4     2 M  OFFT  _C3_     0    1.391622  142.515483   11.454595
    5     2 M  OFFT  _O3_     0    1.400866  154.118935 -168.545855
    6     4 M  OFFT  _N1_     0    1.345016  144.154750    0.000000
    7     4 M  OFFT  _H2_     0    1.077548  148.698892  179.999213
    8     5 M  OFFT  _H6_     0    1.027164  142.850910  -90.000011
    9     6 M  OFFT  _N2_     0    1.317289  142.894092    0.000000
   10     6 S  OFFT  _S1_     0    1.748054  157.283153  179.996726
   11    10 S  OFFT  _O1_     0    1.519784  141.263026 -119.861711
   12    10 S  OFFT  _O2_     0    1.502196  142.008668   -2.549918
   13    10 S  OFFT  _C4_     0    1.751433  145.957349  118.467048
   14    13 S  OFFT  _H3_     0    1.127309  135.682800  133.538266
   15    13 S  OFFT  _H4_     0    1.127287  137.879700 -111.042577
   16    13 S  OFFT  _H5_     0    1.106746  138.714887   11.765025
NBON
     1   3.3997   0.0860   0.087170   0.0000   1.6998   0.000000000   0.000000000
     2   3.3997   0.0860   0.118253   0.0000   1.6998   0.000000000   0.000000000
     3   2.5106   0.0150   0.089028   0.0000   1.2553   0.000000000   0.000000000
     4   3.3997   0.0860   0.154565   0.0000   1.6998   0.000000000   0.000000000
     5   3.0665   0.2104  -0.357649   0.0000   1.5332   0.000000000   0.000000000
     6   3.2500   0.1700   0.072147   0.0000   1.6250   0.000000000   0.000000000
     7   2.5106   0.0150   0.095515   0.0000   1.2553   0.000000000   0.000000000
     8   0.5345   0.0001   0.218400   0.0000   0.2673   0.000000000   0.000000000
     9   3.2500   0.1700  -0.093491   0.0000   1.6250   0.000000000   0.000000000
    10   3.5636   0.2500  -0.124933   0.0000   1.7818   0.000000000   0.000000000
    11   2.9599   0.2100  -0.483968   0.0000   1.4800   0.000000000   0.000000000
    12   2.9599   0.2100  -0.483968   0.0000   1.4800   0.000000000   0.000000000
    13   3.3997   0.1094   0.225096   0.0000   1.6998   0.000000000   0.000000000
    14   2.4714   0.0157   0.161278   0.0000   1.2357   0.000000000   0.000000000
    15   2.4714   0.0157   0.161278   0.0000   1.2357   0.000000000   0.000000000
    16   2.4714   0.0157   0.161278   0.0000   1.2357   0.000000000   0.000000000
BOND
     1     2   297.210  1.456
     1     9   489.963  1.303
     1     3   404.208  1.086
     2     4   404.839  1.372
     2     5   387.876  1.369
     4     6   378.347  1.390
     4     7   404.208  1.086
     6     9   403.077  1.349
     6    10   237.668  1.757
    10    11   543.561  1.476
    10    12   543.561  1.476
    10    13   257.127  1.825
    13    14   376.894  1.094
    13    15   376.894  1.094
    13    16   376.894  1.094
     5     8   556.995  0.974
THET
     1     2     4    78.67881  128.27719
     1     2     5    34.22767  135.36139
     1     9     6    85.26519  114.85458
     2     1     9    78.67881  128.27719
     2     1     3    34.22767  135.36139
     2     4     6    78.67881  128.27719
     2     4     7    34.22767  135.36139
     2     5     8    63.95595  110.94623
     4     2     5    34.22767  135.36139
     4     6     9    70.60133  121.02094
     4     6    10    70.60133  121.02094
     6     4     7    34.22767  135.36139
     6    10    11   100.57011  104.18116
     6    10    12   100.57011  104.18116
     6    10    13    76.17122   96.30390
     9     1     3    34.22767  135.36139
     9     6    10    70.60133  121.02094
    10    13    14    50.00416  110.81136
    10    13    15    50.00416  110.81136
    10    13    16    50.00416  110.81136
    11    10    12   100.57011  104.18116
    11    10    13   100.57011  104.18116
    12    10    13   100.57011  104.18116
    14    13    15    33.78876  110.24686
    14    13    16    33.78876  110.24686
    15    13    16    33.78876  110.24686
PHI
    1     2    -4     6   5.37602 -1.0 2.0
    1     2     4     7   5.37602 -1.0 2.0
    1     2     5     8   0.87229 -1.0 2.0
    1     9    -6     4  -0.18476  1.0 3.0
    1     9     6    10  -0.18476  1.0 3.0
    2     1    -9     6   6.86725 -1.0 2.0
    2     4    -6     9   1.13135 -1.0 2.0
    2     4     6    10   1.13135 -1.0 2.0
    4     2    -1     9   0.93505 -1.0 2.0
    4     2     1     3   0.93505 -1.0 2.0
    4     2     5     8   0.87229 -1.0 2.0
    4     6    10    11   0.51462  1.0 1.0
    4     6    10    12   0.51462  1.0 1.0
    4     6    10    13  -0.50503  1.0 3.0  90.0
    6     4     2     5   5.37602 -1.0 2.0
    6     9     1     3   6.86725 -1.0 2.0
    6    10    13    14   0.10551  1.0 3.0
    6    10    13    15   0.10551  1.0 3.0
    6    10    13    16   0.10551  1.0 3.0
    9     1     2     5   0.93505 -1.0 2.0
    9     6     4     7   1.13135 -1.0 2.0
    9     6    10    11   0.08264  1.0 1.0
    9     6    10    12   0.08264  1.0 1.0
    9     6    10    13   1.91447  1.0 1.0
   10     6     4     7   1.13135 -1.0 2.0
   11    10    13    14   0.10551  1.0 3.0
   11    10    13    15   0.10551  1.0 3.0
   11    10    13    16   0.10551  1.0 3.0
   12    10    13    14   0.10551  1.0 3.0
   12    10    13    15   0.10551  1.0 3.0
   12    10    13    16   0.10551  1.0 3.0
    5     2     1     3   0.93505 -1.0 2.0
    5     2     4     7   5.37602 -1.0 2.0
    1     9    -6     4   1.47170 -1.0 2.0
    1     9     6    10   1.47170 -1.0 2.0
    4     6    10    13   0.36495  1.0 2.0
IPHI
     1     2     4     5   1.10000 -1.0 2.0
     2     1     9     3   1.10000 -1.0 2.0
     2     4     6     7   1.10000 -1.0 2.0
     4     6     9    10  10.50000 -1.0 2.0
END
