REMARK  Name = BDB003879
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.646   2.714   0.531  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.959   1.816   0.046  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -2.597   1.883   0.147  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -2.476   2.725   0.707  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -1.995   0.887   0.864  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -1.769   1.054   2.060  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -1.533  -0.348   0.080  0.00  0.00    +0.064 C 
ATOM      8  C   LIG    1       -0.171  -0.052  -0.580  0.00  0.00    +0.121 C 
ATOM      9  N   LIG    1        0.851  -0.501   0.377  0.00  0.00    -0.328 N 
ATOM     10  C   LIG    1        0.232  -1.181   1.513  0.00  0.00    +0.106 C 
ATOM     11  C   LIG    1       -1.186  -1.499   1.036  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -2.557  -0.787  -0.983  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -4.005  -0.698  -0.512  0.00  0.00    +0.010 C 
ATOM     14  C   LIG    1       -4.583   0.690  -0.749  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   9  15
ATOM     15  C   LIG    1        2.201  -0.237   0.220  0.00  0.00    +0.048 A 
ATOM     16  C   LIG    1        3.202  -0.344   1.224  0.00  0.00    +0.064 A 
ATOM     17 CL   LIG    1        2.892  -0.759   2.881  0.00  0.00    -0.082 Cl
ATOM     18  C   LIG    1        4.558  -0.072   0.959  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1        4.958   0.320  -0.317  0.00  0.00    +0.128 A 
ATOM     20  C   LIG    1        4.016   0.445  -1.330  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        2.670   0.170  -1.054  0.00  0.00    +0.027 A 
BRANCH  19  22
ATOM     22  N   LIG    1        6.371   0.602  -0.590  0.00  0.00    +0.056 N 
ATOM     23  O   LIG    1        6.674   0.966  -1.735  0.00  0.00    -0.126 OA
ATOM     24  O   LIG    1        7.178   0.459   0.339  0.00  0.00    -0.126 OA
ENDBRANCH  19  22
ENDBRANCH   9  15
TORSDOF 2