REMARK  Name = BDB043712
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.753   2.934   1.354  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.437   2.044   0.880  0.00  0.00    +0.251 C 
ATOM      3  C   LIG    1       -0.974   0.748   0.245  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1        0.352   0.565   0.108  0.00  0.00    +0.074 C 
ATOM      5  C   LIG    1        1.083  -0.641  -0.491  0.00  0.00    +0.133 C 
ATOM      6  N   LIG    1        0.531  -1.604  -1.155  0.00  0.00    -0.085 NA
ATOM      7  C   LIG    1        2.520  -0.412  -0.170  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1        2.589   0.833   0.466  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1        3.802   1.366   0.860  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        4.958   0.610   0.650  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        4.886  -0.652   0.036  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        3.658  -1.173  -0.383  0.00  0.00    +0.012 A 
ATOM     13  N   LIG    1        1.345   1.440   0.531  0.00  0.00    -0.312 N 
ATOM     14  H   LIG    1        1.110   2.207   1.155  0.00  0.00    +0.152 HD
ATOM     15  C   LIG    1       -2.196  -0.010  -0.081  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -3.271   0.815   0.288  0.00  0.00    +0.043 A 
ATOM     17  C   LIG    1       -4.599   0.458   0.138  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1       -4.858  -0.797  -0.402  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -3.809  -1.654  -0.766  0.00  0.00    +0.016 A 
ATOM     20 BR   LIG    1       -6.647  -1.361  -0.638  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1       -2.472  -1.262  -0.600  0.00  0.00    +0.011 A 
ATOM     22  N   LIG    1       -2.816   2.007   0.837  0.00  0.00    -0.281 N 
ATOM     23  H   LIG    1       -3.392   2.749   1.203  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   6  24
ATOM     24  O   LIG    1        1.438  -2.557  -1.615  0.00  0.00    -0.409 OA
ATOM     25  H   LIG    1        0.870  -3.160  -2.128  0.00  0.00    +0.328 HD
ENDBRANCH   6  24
TORSDOF 1