REMARK  Name = BDB042755
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.368   3.117  -0.672  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -2.489   2.314  -0.383  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -2.813   0.917  -0.066  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.772   0.043   0.232  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -2.013  -1.308   0.517  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1       -0.978  -2.188   0.873  0.00  0.00    -0.342 N 
ATOM      7  H   LIG    1       -1.220  -3.165   0.709  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        0.325  -1.821   0.313  0.00  0.00    +0.116 C 
ATOM      9  C   LIG    1        0.709  -0.383   0.687  0.00  0.00    +0.087 C 
ATOM     10  C   LIG    1       -3.343  -1.739   0.576  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -4.382  -0.857   0.279  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -5.646  -1.298   0.320  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -0.400   0.577   0.260  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1       -0.128   1.822  -0.002  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1       -4.133   0.468  -0.052  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1       -1.157   2.651  -0.337  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1       -0.913   3.617  -0.534  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        2.084  -0.038   0.130  0.00  0.00    -0.034 A 
ATOM     19  C   LIG    1        3.172   0.114   1.005  0.00  0.00    +0.044 A 
ATOM     20  C   LIG    1        4.439   0.415   0.507  0.00  0.00    +0.142 A 
ATOM     21  F   LIG    1        5.454   0.548   1.375  0.00  0.00    -0.204 F 
ATOM     22  C   LIG    1        4.647   0.567  -0.860  0.00  0.00    +0.076 A 
ATOM     23 CL   LIG    1        6.211   0.934  -1.478  0.00  0.00    -0.081 Cl
ATOM     24  C   LIG    1        3.578   0.418  -1.742  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        2.304   0.116  -1.250  0.00  0.00    +0.006 A 
ENDBRANCH   9  18
TORSDOF 1