REMARK  Name = BDB002819
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.326   1.773   0.684  0.00  0.00    +0.059 C 
ATOM      2  C   LIG    1       -3.051   0.627  -0.309  0.00  0.00    +0.147 C 
ATOM      3  C   LIG    1       -2.430  -0.639   0.323  0.00  0.00    +0.147 C 
ATOM      4  C   LIG    1       -2.970  -0.981   1.713  0.00  0.00    +0.059 C 
ATOM      5  C   LIG    1       -2.504  -1.901  -0.558  0.00  0.00    +0.059 C 
ATOM      6  O   LIG    1       -1.038  -0.289   0.451  0.00  0.00    -0.454 OA
ATOM      7  C   LIG    1       -0.868   0.613  -0.589  0.00  0.00    +0.284 C 
ATOM      8  C   LIG    1        0.334   1.031  -0.996  0.00  0.00    +0.107 C 
ATOM      9  O   LIG    1       -2.021   1.080  -1.209  0.00  0.00    -0.454 OA
ATOM     10  C   LIG    1       -4.322   0.369  -1.121  0.00  0.00    +0.059 C 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        1.569   0.551  -0.355  0.00  0.00    +0.118 C 
ATOM     12  N   LIG    1        2.731   0.959  -0.755  0.00  0.00    -0.255 NA
BRANCH  12  13
ATOM     13  C   LIG    1        3.831   0.432  -0.068  0.00  0.00    +0.064 A 
ATOM     14  C   LIG    1        4.453  -0.735  -0.523  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1        5.561  -1.255   0.151  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        6.053  -0.598   1.278  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1        7.417  -1.236   2.110  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1        5.452   0.575   1.731  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        4.344   1.090   1.053  0.00  0.00    +0.029 A 
ENDBRANCH  12  13
ENDBRANCH   8  11
TORSDOF 2