REMARK  Name = BDB053345
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.132  -1.735  -0.738  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        0.297  -0.622  -0.261  0.00  0.00    +0.272 A 
ATOM      3  N   LIG    1       -0.640   0.343   0.138  0.00  0.00    -0.244 N 
ATOM      4  S   LIG    1        0.104   1.784   0.761  0.00  0.00    +0.017 S 
ATOM      5  C   LIG    1        1.720   1.119   0.498  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        2.860   1.776   0.792  0.00  0.00    -0.244 NA
ATOM      7  C   LIG    1        4.012   1.105   0.520  0.00  0.00    +0.144 A 
ATOM      8  C   LIG    1        4.045  -0.180  -0.026  0.00  0.00    +0.145 A 
ATOM      9  C   LIG    1        2.845  -0.834  -0.320  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1        1.671  -0.148  -0.043  0.00  0.00    +0.076 A 
ENDROOT
BRANCH   3  11
ATOM     11  C   LIG    1       -2.065   0.209   0.064  0.00  0.00    +0.057 A 
ATOM     12  C   LIG    1       -2.671  -0.954  -0.440  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -4.065  -1.087  -0.514  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1       -4.885  -0.053  -0.083  0.00  0.00    +0.018 A 
ATOM     15 BR   LIG    1       -6.762  -0.229  -0.181  0.00  0.00    -0.050 Br
ATOM     16  C   LIG    1       -4.321   1.112   0.420  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1       -2.927   1.239   0.492  0.00  0.00    +0.028 A 
ENDBRANCH   3  11
BRANCH   8  18
ATOM     18  N   LIG    1        5.328  -0.820  -0.283  0.00  0.00    +0.058 N 
ATOM     19  O   LIG    1        6.353  -0.186  -0.001  0.00  0.00    -0.126 OA
ATOM     20  O   LIG    1        5.312  -1.958  -0.769  0.00  0.00    -0.126 OA
ENDBRANCH   8  18
TORSDOF 2