REMARK  Name = LIG000589
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.331   0.629   1.749  0.00  0.00    -0.289 N 
ATOM      2  C   LIG    1        1.266   0.083   0.864  0.00  0.00    +0.337 A 
ATOM      3  O   LIG    1        1.039  -1.022   0.361  0.00  0.00    -0.246 OA
ATOM      4  N   LIG    1        2.437   0.838   0.653  0.00  0.00    -0.229 N 
ATOM      5  C   LIG    1        2.671   2.056   1.297  0.00  0.00    +0.261 A 
ATOM      6  O   LIG    1        3.644   2.796   1.157  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1        1.621   2.539   2.209  0.00  0.00    +0.088 A 
ATOM      8  C   LIG    1        0.513   1.829   2.383  0.00  0.00    +0.096 A 
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.436   0.337  -0.271  0.00  0.00    +0.055 A 
ATOM     10  C   LIG    1        3.070  -0.374  -1.430  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        4.033  -0.857  -2.324  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1        5.377  -0.633  -2.070  0.00  0.00    +0.124 A 
ATOM     13  F   LIG    1        6.299  -1.095  -2.925  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        5.775   0.066  -0.942  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1        4.810   0.548  -0.049  0.00  0.00    +0.029 A 
ENDBRANCH   4   9
BRANCH   1  16
ATOM     16  C   LIG    1       -0.919  -0.112   1.958  0.00  0.00    +0.246 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.902   0.141   0.821  0.00  0.00    +0.328 C 
ATOM     18  O   LIG    1       -1.885   1.117   0.083  0.00  0.00    -0.249 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -2.833  -0.854   0.801  0.00  0.00    -0.458 OA
BRANCH  19  21
ATOM     20  C   LIG    1       -4.813   0.343  -0.043  0.00  0.00    +0.055 C 
ATOM     21  C   LIG    1       -3.885  -0.867  -0.198  0.00  0.00    +0.105 C 
ATOM     22  C   LIG    1       -4.689  -2.143   0.098  0.00  0.00    +0.055 C 
ATOM     23  C   LIG    1       -3.307  -0.970  -1.614  0.00  0.00    +0.055 C 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5