REMARK  Name = BDB017216
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.706  -2.939   0.926  0.00  0.00    -0.292 OA
ATOM      2  C   LIG    1        0.801  -1.918   0.243  0.00  0.00    +0.167 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        2.122  -1.214   0.188  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        2.280   0.074  -0.338  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        3.543   0.695  -0.364  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        4.668   0.009   0.152  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        5.928   0.628   0.127  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1        6.070   1.910  -0.403  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        4.970   2.592  -0.912  0.00  0.00    +0.016 A 
ATOM     10 BR   LIG    1        7.774   2.730  -0.430  0.00  0.00    -0.050 Br
ATOM     11  C   LIG    1        4.501  -1.277   0.682  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        3.712   1.986  -0.892  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        3.241  -1.881   0.701  0.00  0.00    +0.012 A 
ENDBRANCH   2   3
BRANCH   2  14
ATOM     14  C   LIG    1       -0.399  -1.353  -0.510  0.00  0.00    +0.074 C 
ATOM     15  C   LIG    1       -1.184  -0.447   0.455  0.00  0.00    +0.095 C 
ATOM     16  N   LIG    1       -2.520  -0.177  -0.083  0.00  0.00    -0.301 NA
ATOM     17  C   LIG    1       -3.337  -1.406  -0.117  0.00  0.00    +0.084 C 
ATOM     18  C   LIG    1       -2.524  -2.700  -0.258  0.00  0.00    +0.016 C 
ATOM     19  C   LIG    1       -1.269  -2.483  -1.093  0.00  0.00    +0.014 C 
BRANCH  16  20
ATOM     20  C   LIG    1       -3.184   0.908   0.650  0.00  0.00    +0.088 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.418   1.363  -0.077  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -4.785   2.826  -0.118  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -4.308   2.138  -1.367  0.00  0.00    +0.005 C 
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH   2  14
TORSDOF 4