REMARK  Name = BDB059072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.721   3.907   2.172  0.00  0.00    +0.065 C 
ATOM      2  C   LIG    1       -0.890   2.539   1.573  0.00  0.00    +0.041 A 
ATOM      3  N   LIG    1        0.181   2.020   0.938  0.00  0.00    -0.232 NA
ATOM      4  C   LIG    1       -0.002   0.801   0.379  0.00  0.00    +0.165 A 
ATOM      5  C   LIG    1       -1.175   0.052   0.430  0.00  0.00    +0.056 A 
ATOM      6  C   LIG    1       -0.901  -1.108  -0.339  0.00  0.00    +0.076 A 
ATOM      7  N   LIG    1        0.368  -1.131  -0.760  0.00  0.00    -0.169 NA
ATOM      8  C   LIG    1       -2.244   0.613   1.150  0.00  0.00    +0.073 A 
ATOM      9  N   LIG    1        0.917   0.049  -0.350  0.00  0.00    -0.214 N 
ATOM     10  C   LIG    1       -2.105   1.885   1.707  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        2.275   0.344  -0.688  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        2.899   1.535  -0.294  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        4.231   1.786  -0.645  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        4.945   0.850  -1.390  0.00  0.00    +0.018 A 
ATOM     15 BR   LIG    1        6.742   1.196  -1.859  0.00  0.00    -0.050 Br
ATOM     16  C   LIG    1        4.341  -0.338  -1.790  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1        3.011  -0.591  -1.441  0.00  0.00    +0.029 A 
ENDBRANCH   9  11
BRANCH   6  18
ATOM     18  C   LIG    1       -1.820  -2.243  -0.719  0.00  0.00    +0.034 C 
ATOM     19  C   LIG    1       -1.825  -2.498  -2.230  0.00  0.00    +0.014 C 
ATOM     20  C   LIG    1       -1.466  -3.526   0.037  0.00  0.00    +0.014 C 
ENDBRANCH   6  18
BRANCH   8  21
ATOM     21  C   LIG    1       -3.510  -0.094   1.355  0.00  0.00    +0.338 C 
ATOM     22  O   LIG    1       -4.587   0.362   1.022  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -3.342  -1.261   2.011  0.00  0.00    -0.477 OA
ATOM     24  H   LIG    1       -2.431  -1.439   2.315  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 4