REMARK  Name = BDB048498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.953  -1.144   0.406  0.00  0.00    +0.021 C 
ATOM      2  C   LIG    1       -2.080  -0.502   0.237  0.00  0.00    -0.003 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -2.108   0.956   0.552  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -1.007   1.788   0.287  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1       -1.050   3.154   0.587  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -2.196   3.700   1.157  0.00  0.00    +0.018 A 
ATOM      7 BR   LIG    1       -2.259   5.545   1.564  0.00  0.00    -0.050 Br
ATOM      8  C   LIG    1       -3.298   2.894   1.432  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -3.252   1.529   1.131  0.00  0.00    +0.009 A 
ENDBRANCH   2   3
BRANCH   2  10
ATOM     10  C   LIG    1       -3.247  -1.274  -0.274  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1       -4.071  -0.726  -1.270  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -5.172  -1.436  -1.759  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1       -5.456  -2.703  -1.254  0.00  0.00    +0.018 A 
ATOM     14 BR   LIG    1       -6.945  -3.663  -1.912  0.00  0.00    -0.050 Br
ATOM     15  C   LIG    1       -4.649  -3.266  -0.269  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1       -3.549  -2.554   0.218  0.00  0.00    +0.009 A 
ENDBRANCH   2  10
BRANCH   1  17
ATOM     17  C   LIG    1        0.395  -1.866   0.591  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  O   LIG    1        1.576  -2.464   0.742  0.00  0.00    -0.472 OA
BRANCH  18  22
ATOM     19  C   LIG    1        4.765  -0.152  -0.603  0.00  0.00    -0.038 A 
ATOM     20  C   LIG    1        3.711  -0.428  -1.476  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        2.630  -1.201  -1.045  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        2.601  -1.683   0.269  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        3.667  -1.428   1.134  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        4.746  -0.655   0.699  0.00  0.00    +0.008 A 
BRANCH  19  25
ATOM     25  C   LIG    1        5.865   0.644  -1.045  0.00  0.00    +0.037 C 
BRANCH  25  26
ATOM     26  C   LIG    1        7.047   1.510  -1.527  0.00  0.00    +0.119 C 
BRANCH  26  28
ATOM     27  O   LIG    1        8.128   2.851  -3.184  0.00  0.00    -0.246 OA
ATOM     28  C   LIG    1        8.232   2.382  -2.013  0.00  0.00    +0.365 C 
ATOM     29  O   LIG    1        9.180   2.537  -1.189  0.00  0.00    -0.246 OA
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  19  25
ENDBRANCH  18  22
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8