REMARK  Name = BDB062089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.681  -0.469   1.104  0.00  0.00    +0.234 A 
ATOM      2  N   LIG    1       -0.896   0.356   0.383  0.00  0.00    -0.209 NA
ATOM      3  C   LIG    1        0.422   0.009   0.282  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1        0.920  -1.170   0.875  0.00  0.00    +0.097 A 
ATOM      5  N   LIG    1        0.110  -1.984   1.612  0.00  0.00    -0.248 NA
ATOM      6  C   LIG    1       -1.187  -1.610   1.709  0.00  0.00    +0.178 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.233   0.986  -0.467  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        2.397   1.557   0.077  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        3.157   2.481  -0.648  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1        2.753   2.855  -1.927  0.00  0.00    +0.018 A 
ATOM     11 BR   LIG    1        3.778   4.102  -2.909  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1        1.595   2.320  -2.483  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1        0.839   1.397  -1.754  0.00  0.00    +0.011 A 
ENDBRANCH   3   7
BRANCH   4  14
ATOM     14  C   LIG    1        2.307  -1.657   0.759  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        3.035  -2.008   1.911  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        4.353  -2.467   1.825  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1        4.959  -2.592   0.578  0.00  0.00    +0.018 A 
ATOM     18 BR   LIG    1        6.740  -3.210   0.457  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1        4.257  -2.270  -0.580  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1        2.938  -1.812  -0.489  0.00  0.00    +0.011 A 
ENDBRANCH   4  14
BRANCH   1  21
ATOM     21  O   LIG    1       -3.021  -0.192   1.263  0.00  0.00    -0.474 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.423   1.029   0.627  0.00  0.00    +0.246 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.922   1.248   0.886  0.00  0.00    +0.121 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -5.911   0.108  -1.023  0.00  0.00    +0.101 C 
ATOM     25  N   LIG    1       -5.793   0.156   0.427  0.00  0.00    -0.316 NA
ATOM     26  H   LIG    1       -5.402  -0.727   0.760  0.00  0.00    +0.122 HD
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 6