REMARK  Name = BDB044687
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.416  -0.275  -0.018  0.00  0.00    +0.054 A 
ATOM      2  N   LIG    1       -0.124   0.952   0.337  0.00  0.00    -0.323 N 
ATOM      3  C   LIG    1       -1.464   1.243   0.197  0.00  0.00    +0.137 A 
ATOM      4  N   LIG    1       -1.853   2.458   0.495  0.00  0.00    -0.265 NA
ATOM      5  C   LIG    1       -0.596   3.134   0.933  0.00  0.00    +0.165 C 
ATOM      6  C   LIG    1       -2.381   0.188  -0.286  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -1.813  -1.059  -0.613  0.00  0.00    -0.012 A 
ATOM      8  C   LIG    1       -2.650  -2.079  -1.076  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -4.024  -1.854  -1.208  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.574  -0.611  -0.880  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.752   0.416  -0.418  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        0.573   2.167   0.688  0.00  0.00    +0.147 C 
ATOM     13  C   LIG    1       -0.361  -1.278  -0.473  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   1  16
ATOM     14  F   LIG    1        2.232  -0.354  -2.209  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1        2.716  -0.538  -0.972  0.00  0.00    +0.132 A 
ATOM     16  C   LIG    1        1.861  -0.503   0.136  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        2.406  -0.705   1.413  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        3.777  -0.927   1.570  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.615  -0.953   0.455  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        4.083  -0.759  -0.819  0.00  0.00    +0.039 A 
ENDBRANCH   1  16
TORSDOF 1