REMARK  Name = BDB047127
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.210   0.546   0.019  0.00  0.00    +0.071 A 
ATOM      2  C   LIG    1        2.505  -0.040  -0.013  0.00  0.00    +0.081 A 
ATOM      3  C   LIG    1        3.176  -0.900  -0.963  0.00  0.00    +0.238 C 
ATOM      4  C   LIG    1        4.664  -1.204  -0.698  0.00  0.00    +0.240 C 
ATOM      5  C   LIG    1        5.223  -0.752   0.628  0.00  0.00    +0.072 C 
ATOM      6  C   LIG    1        4.488  -0.030   1.492  0.00  0.00    +0.066 C 
ATOM      7 BR   LIG    1        6.988  -1.224   1.033  0.00  0.00    -0.046 Br
ATOM      8  O   LIG    1        5.337  -1.792  -1.534  0.00  0.00    -0.283 OA
ATOM      9  O   LIG    1        2.602  -1.430  -1.903  0.00  0.00    -0.283 OA
ATOM     10  C   LIG    1        3.164   0.325   1.148  0.00  0.00    +0.140 A 
ATOM     11  O   LIG    1        2.320   1.082   1.909  0.00  0.00    -0.462 OA
ATOM     12  C   LIG    1        1.155   1.217   1.225  0.00  0.00    +0.208 A 
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1        0.181   0.541  -1.005  0.00  0.00    +0.197 C 
ATOM     14  O   LIG    1        0.460   0.742  -2.182  0.00  0.00    -0.287 OA
BRANCH  13  19
ATOM     15  C   LIG    1       -5.407  -0.180   0.380  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -3.958   0.024   0.049  0.00  0.00    -0.050 A 
ATOM     17  C   LIG    1       -2.961  -0.567   0.835  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -1.611  -0.408   0.509  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1       -1.244   0.346  -0.612  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -2.240   0.909  -1.419  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -3.588   0.749  -1.090  0.00  0.00    +0.004 A 
ENDBRANCH  13  19
ENDBRANCH   1  13
TORSDOF 2