REMARK  Name = BDB000696
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.714  -0.044   0.211  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        1.993   1.244   0.883  0.00  0.00    +0.350 A 
ATOM      3  O   LIG    1        1.088   1.990   1.248  0.00  0.00    -0.244 OA
ATOM      4  O   LIG    1        3.324   1.585   1.089  0.00  0.00    -0.420 OA
ATOM      5  C   LIG    1        4.387   0.754   0.683  0.00  0.00    +0.157 A 
ATOM      6  C   LIG    1        4.114  -0.456   0.051  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1        5.176  -1.271  -0.346  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1        6.491  -0.865  -0.106  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1        6.760   0.348   0.527  0.00  0.00    +0.043 A 
ATOM     10 CL   LIG    1        7.795  -1.874  -0.599  0.00  0.00    -0.083 Cl
ATOM     11  C   LIG    1        5.701   1.163   0.924  0.00  0.00    +0.085 A 
ATOM     12 CL   LIG    1        6.048   2.659   1.705  0.00  0.00    -0.080 Cl
ATOM     13  C   LIG    1        2.729  -0.837  -0.176  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   1  16
ATOM     14  N   LIG    1       -0.691   0.304   0.337  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1       -0.412   1.173   0.794  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1        0.321  -0.537  -0.075  0.00  0.00    +0.255 C 
ATOM     17  O   LIG    1        0.165  -1.618  -0.639  0.00  0.00    -0.270 OA
BRANCH  14  21
ATOM     18  C   LIG    1       -4.699  -2.289  -1.146  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -4.077  -1.104  -0.468  0.00  0.00    -0.048 A 
ATOM     20  C   LIG    1       -2.679  -0.995  -0.382  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -2.084   0.119   0.211  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1       -2.905   1.136   0.719  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1       -4.302   1.046   0.643  0.00  0.00    -0.048 A 
ATOM     24  C   LIG    1       -5.164   2.162   1.154  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -4.879  -0.072   0.031  0.00  0.00    +0.006 A 
ENDBRANCH  14  21
ENDBRANCH   1  16
TORSDOF 2