REMARK  Name = LIG001425
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.004   0.273  -1.175  0.00  0.00    +0.115 A 
ATOM      2  C   LIG    1        2.012   0.358  -2.663  0.00  0.00    +0.262 A 
ATOM      3  O   LIG    1        1.441  -0.460  -3.377  0.00  0.00    -0.267 OA
ATOM      4  N   LIG    1        2.662   1.430  -3.219  0.00  0.00    -0.318 N 
ATOM      5  H   LIG    1        2.659   1.462  -4.235  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        3.277   2.436  -2.497  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1        3.250   2.360  -1.156  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        2.624   1.238  -0.464  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   1  16
ATOM      9  C   LIG    1       -4.477  -1.252   0.936  0.00  0.00    +0.162 A 
ATOM     10  C   LIG    1       -4.532   0.102   0.520  0.00  0.00    +0.162 A 
ATOM     11  C   LIG    1       -3.374   0.714   0.016  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -2.196  -0.017  -0.032  0.00  0.00    -0.022 A 
ATOM     13  C   LIG    1       -0.849   0.414  -0.517  0.00  0.00    +0.144 C 
ATOM     14  N   LIG    1       -0.004  -0.754  -0.264  0.00  0.00    -0.289 N 
ATOM     15  C   LIG    1       -0.762  -1.887   0.258  0.00  0.00    +0.144 C 
ATOM     16  C   LIG    1        1.329  -0.891  -0.557  0.00  0.00    +0.254 C 
ATOM     17  O   LIG    1        1.967  -1.919  -0.337  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1       -2.143  -1.340   0.413  0.00  0.00    -0.022 A 
ATOM     19  C   LIG    1       -3.272  -1.966   0.905  0.00  0.00    +0.055 A 
BRANCH   9  21
ATOM     20  C   LIG    1       -6.738  -1.856   0.703  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -5.533  -1.961   1.456  0.00  0.00    -0.491 OA
ENDBRANCH   9  21
BRANCH  10  22
ATOM     22  O   LIG    1       -5.736   0.745   0.652  0.00  0.00    -0.491 OA
ATOM     23  C   LIG    1       -5.766   2.146   0.418  0.00  0.00    +0.277 C 
ENDBRANCH  10  22
ENDBRANCH   1  16
BRANCH   6  24
ATOM     24  C   LIG    1        3.936   3.566  -3.257  0.00  0.00    +0.432 C 
ATOM     25  F   LIG    1        4.497   4.496  -2.445  0.00  0.00    -0.164 F 
ATOM     26  F   LIG    1        3.038   4.213  -4.043  0.00  0.00    -0.164 F 
ATOM     27  F   LIG    1        4.914   3.106  -4.077  0.00  0.00    -0.164 F 
ENDBRANCH   6  24
BRANCH   8  28
ATOM     28  S   LIG    1        2.685   1.341   1.280  0.00  0.00    -0.086 S 
BRANCH  28  29
ATOM     29  C   LIG    1        3.535  -0.178   1.749  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        4.839  -0.498   1.316  0.00  0.00    +0.056 A 
ATOM     31 CL   LIG    1        5.797   0.556   0.327  0.00  0.00    -0.082 Cl
ATOM     32  C   LIG    1        5.457  -1.695   1.707  0.00  0.00    +0.021 A 
ATOM     33  C   LIG    1        4.803  -2.585   2.552  0.00  0.00    +0.003 A 
ATOM     34  C   LIG    1        3.533  -2.273   3.024  0.00  0.00    +0.021 A 
ATOM     35  C   LIG    1        2.907  -1.080   2.637  0.00  0.00    +0.056 A 
ATOM     36 CL   LIG    1        1.342  -0.781   3.328  0.00  0.00    -0.082 Cl
ENDBRANCH  28  29
ENDBRANCH   8  28
TORSDOF 6