REMARK  Name = BDB058169
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.498   0.086   0.038  0.00  0.00    +0.030 A 
ATOM      2  C   LIG    1       -0.636  -0.154  -1.044  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        0.758  -0.127  -0.906  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        1.339   0.149   0.331  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1        0.509   0.373   1.430  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -0.885   0.344   1.275  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.821   0.174   0.442  0.00  0.00    +0.141 A 
ATOM      8  N   LIG    1        3.360   0.989   1.413  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1        2.778   1.587   1.980  0.00  0.00    +0.170 HD
ATOM     10  C   LIG    1        4.708   1.137   1.617  0.00  0.00    +0.260 A 
ATOM     11  O   LIG    1        5.158   1.899   2.464  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1        5.575   0.330   0.749  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1        4.952  -0.475  -0.210  0.00  0.00    +0.079 A 
ATOM     14  C   LIG    1        5.751  -1.252  -1.054  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        7.143  -1.220  -0.937  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1        7.735  -0.408   0.026  0.00  0.00    +0.124 A 
ATOM     17  F   LIG    1        9.069  -0.382   0.133  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        6.965   0.373   0.876  0.00  0.00    +0.053 A 
ATOM     19  N   LIG    1        3.558  -0.533  -0.358  0.00  0.00    -0.229 NA
ENDBRANCH   4   7
BRANCH   1  24
ATOM     20  C   LIG    1       -6.946  -0.373   0.339  0.00  0.00    +0.105 C 
ATOM     21  N   LIG    1       -5.850   0.116  -0.494  0.00  0.00    -0.302 NA
ATOM     22  C   LIG    1       -5.083   1.186   0.176  0.00  0.00    +0.103 C 
ATOM     23  C   LIG    1       -3.762   0.748   0.852  0.00  0.00    +0.120 C 
ATOM     24  N   LIG    1       -2.874   0.058  -0.100  0.00  0.00    -0.327 N 
ATOM     25  C   LIG    1       -3.529  -0.572  -1.260  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -4.971  -1.000  -0.904  0.00  0.00    +0.103 C 
ENDBRANCH   1  24
TORSDOF 2