REMARK  Name = BDB006802
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.213   1.539   2.384  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        1.758   0.917   1.193  0.00  0.00    -0.311 N 
ATOM      3  H   LIG    1        1.456   1.298   0.306  0.00  0.00    +0.149 HD
ATOM      4  C   LIG    1        2.982   0.280   1.229  0.00  0.00    +0.244 C 
ATOM      5  O   LIG    1        3.623   0.097   2.257  0.00  0.00    -0.270 OA
BRANCH   4   6
ATOM      6  C   LIG    1        3.536  -0.163  -0.081  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        4.925  -0.294  -0.203  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        5.476  -0.708  -1.414  0.00  0.00    +0.019 A 
ATOM      9 BR   LIG    1        7.352  -0.875  -1.582  0.00  0.00    -0.050 Br
ATOM     10  C   LIG    1        4.657  -1.001  -2.504  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        3.272  -0.886  -2.381  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        2.710  -0.471  -1.171  0.00  0.00    +0.013 A 
ENDBRANCH   4   6
ENDBRANCH   1   2
BRANCH   1  13
ATOM     13  C   LIG    1       -0.307   1.680   2.326  0.00  0.00    +0.019 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.073   0.426   2.765  0.00  0.00    +0.003 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -0.888  -0.826   1.900  0.00  0.00    +0.015 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.272  -0.671   0.423  0.00  0.00    +0.081 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -2.666  -0.260   0.281  0.00  0.00    -0.311 NA
ATOM     18  H   LIG    1       -3.261  -0.906   0.801  0.00  0.00    +0.122 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -4.607   0.419  -0.972  0.00  0.00    +0.027 C 
ATOM     20  C   LIG    1       -3.171  -0.125  -1.096  0.00  0.00    +0.011 C 
ATOM     21  C   LIG    1       -2.344   0.876  -1.920  0.00  0.00    +0.027 C 
ATOM     22  C   LIG    1       -3.224  -1.481  -1.818  0.00  0.00    +0.027 C 
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 8