REMARK  Name = BDB053357
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.176  -0.198  -1.933  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        1.274  -0.490  -0.751  0.00  0.00    +0.267 A 
ATOM      3  N   LIG    1        0.377  -1.220   0.012  0.00  0.00    -0.272 N 
ATOM      4  S   LIG    1        0.813  -1.407   1.662  0.00  0.00    +0.012 S 
ATOM      5  C   LIG    1        2.315  -0.494   1.382  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        3.231  -0.246   2.336  0.00  0.00    -0.246 NA
ATOM      7  C   LIG    1        4.308   0.467   1.926  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1        4.497   0.930   0.622  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        3.526   0.650  -0.338  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1        2.421  -0.078   0.067  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   3  11
ATOM     11  C   LIG    1       -0.906  -1.673  -0.483  0.00  0.00    +0.168 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -2.006  -0.663  -0.246  0.00  0.00    -0.027 A 
ATOM     13  C   LIG    1       -2.851  -0.777   0.870  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -3.853   0.168   1.095  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -4.008   1.229   0.210  0.00  0.00    +0.123 A 
ATOM     16  F   LIG    1       -4.969   2.135   0.429  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1       -3.178   1.364  -0.896  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -2.175   0.421  -1.123  0.00  0.00    +0.008 A 
ENDBRANCH  11  12
ENDBRANCH   3  11
TORSDOF 2