REMARK  Name = BDB000697
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.240   0.001  -0.367  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        1.656  -1.113  -1.247  0.00  0.00    +0.350 A 
ATOM      3  O   LIG    1        0.841  -1.896  -1.726  0.00  0.00    -0.244 OA
ATOM      4  O   LIG    1        3.013  -1.244  -1.516  0.00  0.00    -0.421 OA
ATOM      5  C   LIG    1        3.977  -0.365  -0.985  0.00  0.00    +0.153 A 
ATOM      6  C   LIG    1        3.574   0.680  -0.158  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1        4.537   1.547   0.364  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1        5.885   1.355   0.051  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1        6.285   0.308  -0.778  0.00  0.00    +0.039 A 
ATOM     10 CL   LIG    1        7.067   2.427   0.698  0.00  0.00    -0.083 Cl
ATOM     11  C   LIG    1        5.325  -0.558  -1.299  0.00  0.00    +0.062 A 
ATOM     12 BR   LIG    1        5.888  -1.974  -2.423  0.00  0.00    -0.046 Br
ATOM     13  C   LIG    1        2.159   0.840   0.140  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  16
ATOM     14  N   LIG    1       -1.106  -0.623  -0.533  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1       -0.735  -1.363  -1.131  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1       -0.195   0.260   0.007  0.00  0.00    +0.255 C 
ATOM     17  O   LIG    1       -0.468   1.205   0.744  0.00  0.00    -0.270 OA
BRANCH  14  21
ATOM     18  C   LIG    1       -5.364   1.175   1.378  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -4.619   0.200   0.514  0.00  0.00    -0.049 A 
ATOM     20  C   LIG    1       -3.220   0.279   0.407  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -2.508  -0.638  -0.368  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1       -3.211  -1.651  -1.032  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -4.599  -1.748  -0.920  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -5.301  -0.828  -0.145  0.00  0.00    +0.003 A 
ENDBRANCH  14  21
ENDBRANCH   1  16
TORSDOF 2