REMARK  Name = BDB044957
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.016   0.166  -0.652  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        1.049   0.883  -1.196  0.00  0.00    +0.257 C 
ATOM      3  O   LIG    1        1.036   1.620  -2.161  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        2.228   0.593  -0.390  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        1.840  -0.266   0.622  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        2.737  -0.721   1.561  0.00  0.00    +0.174 A 
ATOM      7  C   LIG    1        4.059  -0.292   1.463  0.00  0.00    +0.197 A 
ATOM      8  C   LIG    1        4.452   0.577   0.437  0.00  0.00    +0.197 A 
ATOM      9  F   LIG    1        5.730   0.974   0.359  0.00  0.00    -0.199 F 
ATOM     10  F   LIG    1        4.964  -0.718   2.355  0.00  0.00    -0.199 F 
ATOM     11  F   LIG    1        2.364  -1.553   2.539  0.00  0.00    -0.202 F 
ATOM     12  C   LIG    1        3.529   1.028  -0.503  0.00  0.00    +0.174 A 
ATOM     13  F   LIG    1        3.908   1.855  -1.484  0.00  0.00    -0.202 F 
ATOM     14  C   LIG    1        0.413  -0.516   0.464  0.00  0.00    +0.257 C 
ATOM     15  O   LIG    1       -0.258  -1.186   1.221  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  22
ATOM     16  O   LIG    1       -4.977  -0.438   0.833  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -3.918  -0.259   0.238  0.00  0.00    +0.219 C 
ATOM     18  N   LIG    1       -3.419   1.004   0.066  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1       -3.902   1.685   0.639  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1       -2.087   1.253  -0.122  0.00  0.00    +0.240 C 
ATOM     21  O   LIG    1       -1.533   2.194   0.444  0.00  0.00    -0.273 OA
ATOM     22  C   LIG    1       -1.366   0.315  -1.097  0.00  0.00    +0.171 C 
ATOM     23  C   LIG    1       -2.112  -0.996  -1.354  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -3.054  -1.403  -0.232  0.00  0.00    +0.098 C 
ENDBRANCH   1  22
TORSDOF 1