REMARK  Name = BDB049175
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.861  -2.229   0.931  0.00  0.00    -0.279 OA
ATOM      2  C   LIG    1       -4.361  -1.115   0.887  0.00  0.00    +0.227 C 
ATOM      3  C   LIG    1       -2.905  -0.866   0.719  0.00  0.00    +0.114 A 
ATOM      4  C   LIG    1       -2.393   0.296   0.260  0.00  0.00    +0.061 A 
ATOM      5  N   LIG    1       -1.045   0.539   0.091  0.00  0.00    -0.233 NA
ATOM      6  C   LIG    1       -0.202  -0.397   0.385  0.00  0.00    +0.141 A 
ATOM      7  N   LIG    1       -0.612  -1.619   0.842  0.00  0.00    -0.306 N 
ATOM      8  H   LIG    1        0.033  -2.369   1.039  0.00  0.00    +0.170 HD
ATOM      9  C   LIG    1       -3.240   1.488  -0.145  0.00  0.00    +0.067 C 
ATOM     10  C   LIG    1       -4.710   1.192  -0.394  0.00  0.00    +0.084 C 
ATOM     11  C   LIG    1       -1.926  -1.929   1.051  0.00  0.00    +0.263 A 
ATOM     12  O   LIG    1       -2.224  -3.025   1.510  0.00  0.00    -0.267 OA
ATOM     13  S   LIG    1       -5.394   0.303   1.016  0.00  0.00    -0.082 S 
ENDROOT
BRANCH   6  14
ATOM     14  C   LIG    1        1.262  -0.186   0.220  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        2.203  -0.866   1.003  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        3.570  -0.635   0.816  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        4.017   0.285  -0.145  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1        3.069   0.966  -0.923  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        1.702   0.738  -0.736  0.00  0.00    +0.012 A 
BRANCH  17  20
ATOM     20  C   LIG    1        5.495   0.515  -0.360  0.00  0.00    +0.417 C 
ATOM     21  F   LIG    1        6.228   0.360   0.778  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        5.782   1.765  -0.819  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        6.024  -0.350  -1.267  0.00  0.00    -0.166 F 
ENDBRANCH  17  20
ENDBRANCH   6  14
TORSDOF 2