REMARK  Name = BDB015721
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.612  -0.510   0.289  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1        0.204   0.183  -0.526  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        1.479  -0.222  -0.575  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1        1.990  -1.281   0.077  0.00  0.00    -0.180 NA
ATOM      5  C   LIG    1        1.153  -1.941   0.877  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -0.168  -1.587   1.032  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -3.941   3.318   0.409  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1       -3.583   1.867   0.420  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -4.716   0.890   0.497  0.00  0.00    +0.254 A 
ATOM     10  O   LIG    1       -5.874   1.295   0.566  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1       -4.358  -0.458   0.481  0.00  0.00    -0.317 N 
ATOM     12  C   LIG    1       -5.404  -1.467   0.527  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -3.039  -0.879   0.414  0.00  0.00    +0.098 A 
ATOM     14  C   LIG    1       -2.009  -0.013   0.371  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -2.323   1.408   0.359  0.00  0.00    +0.020 A 
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  N   LIG    1        1.689  -3.004   1.602  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1        1.163  -3.862   1.483  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1        2.660  -3.114   1.320  0.00  0.00    +0.144 HD
ENDBRANCH   5  16
BRANCH   3  19
ATOM     19  O   LIG    1        2.285   0.489  -1.456  0.00  0.00    -0.421 OA
BRANCH  19  20
ATOM     20  C   LIG    1        3.634   0.449  -1.204  0.00  0.00    +0.167 A 
ATOM     21  C   LIG    1        4.181   0.971  -0.029  0.00  0.00    +0.168 A 
ATOM     22  F   LIG    1        3.388   1.515   0.906  0.00  0.00    -0.202 F 
ATOM     23  C   LIG    1        5.553   0.951   0.184  0.00  0.00    +0.080 A 
ATOM     24  C   LIG    1        6.376   0.418  -0.800  0.00  0.00    +0.126 A 
ATOM     25  F   LIG    1        7.702   0.394  -0.608  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        5.850  -0.085  -1.989  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1        4.471  -0.062  -2.198  0.00  0.00    +0.052 A 
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 4