REMARK  Name = BDB046102
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.955  -1.659  -0.343  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.768  -1.432  -0.105  0.00  0.00    +0.245 C 
ATOM      3  C   LIG    1       -3.338  -0.052   0.237  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -1.996   0.391   0.191  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -1.727   1.731   0.479  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -2.718   2.655   0.828  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -4.036   2.204   0.875  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1       -0.372   1.915   0.343  0.00  0.00    -0.354 N 
ATOM      9  H   LIG    1        0.104   2.793   0.494  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1        0.250   0.742  -0.007  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -0.737  -0.229  -0.103  0.00  0.00    -0.012 A 
ATOM     12  C   LIG    1       -0.561  -1.670  -0.452  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1       -1.529  -2.560   0.322  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -4.343   0.878   0.579  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -2.891  -2.483  -0.169  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1       -3.369  -3.356  -0.358  0.00  0.00    +0.149 HD
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1        1.693   0.673  -0.197  0.00  0.00    -0.001 A 
ATOM     18  C   LIG    1        2.485  -0.086   0.673  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        3.877  -0.158   0.502  0.00  0.00    +0.055 A 
ATOM     20  C   LIG    1        4.470   0.560  -0.548  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        3.686   1.319  -1.417  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        2.303   1.375  -1.242  0.00  0.00    +0.010 A 
BRANCH  19  23
ATOM     23  C   LIG    1        4.718  -0.966   1.458  0.00  0.00    +0.417 C 
ATOM     24  F   LIG    1        5.910  -1.358   0.928  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        5.021  -0.274   2.591  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        4.102  -2.109   1.870  0.00  0.00    -0.166 F 
ENDBRANCH  19  23
ENDBRANCH  10  17
TORSDOF 2