REMARK  Name = BDB028312
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.121   0.097  -0.292  0.00  0.00    +0.087 A 
ATOM      2  C   LIG    1       -2.562   0.325  -0.574  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -3.484  -0.213   0.323  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -4.860  -0.042   0.128  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -5.307   0.676  -0.978  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -4.395   1.220  -1.883  0.00  0.00    +0.016 A 
ATOM      7 BR   LIG    1       -7.160   0.917  -1.256  0.00  0.00    -0.050 Br
ATOM      8  C   LIG    1       -2.995  -0.969   1.487  0.00  0.00    +0.272 A 
ATOM      9  O   LIG    1       -3.771  -1.459   2.299  0.00  0.00    -0.266 OA
ATOM     10  N   LIG    1       -1.633  -1.087   1.600  0.00  0.00    -0.242 N 
ATOM     11  H   LIG    1       -1.276  -1.606   2.397  0.00  0.00    +0.192 HD
ATOM     12  C   LIG    1       -3.021   1.046  -1.683  0.00  0.00    +0.011 A 
ATOM     13  N   LIG    1       -0.708  -0.576   0.745  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -0.093   0.681  -1.267  0.00  0.00    +0.174 C 
BRANCH  14  17
ATOM     15  O   LIG    1        1.573  -1.646  -1.983  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        1.926  -0.761  -1.227  0.00  0.00    +0.254 C 
ATOM     17  N   LIG    1        1.259   0.374  -0.860  0.00  0.00    -0.228 N 
ATOM     18  C   LIG    1        1.994   1.152  -0.010  0.00  0.00    +0.254 C 
ATOM     19  O   LIG    1        1.711   2.228   0.481  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1        3.257   0.447   0.204  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        4.353   0.786   0.973  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1        5.431  -0.105   0.975  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        5.389  -1.295   0.218  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        4.267  -1.615  -0.554  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        3.215  -0.721  -0.539  0.00  0.00    +0.049 A 
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 2