REMARK  Name = BDB051674
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.976  -1.728  -0.760  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.814  -1.365  -0.638  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -3.430  -0.208   0.217  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -2.075   0.058   0.501  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1       -1.748   1.218   1.228  0.00  0.00    -0.040 A 
ATOM      6  C   LIG    1       -0.309   1.605   1.436  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1        0.626   0.412   1.302  0.00  0.00    +0.113 C 
ATOM      8  N   LIG    1        0.354  -0.371   0.091  0.00  0.00    -0.289 N 
ATOM      9  C   LIG    1        1.395  -1.189  -0.371  0.00  0.00    +0.247 C 
ATOM     10  O   LIG    1        1.260  -2.380  -0.634  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -2.767   2.068   1.682  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.106   1.771   1.429  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -1.008  -0.939   0.045  0.00  0.00    +0.125 C 
ATOM     14  C   LIG    1       -1.445  -1.461  -1.345  0.00  0.00    +0.131 C 
ATOM     15  C   LIG    1       -4.439   0.638   0.692  0.00  0.00    +0.013 A 
ATOM     16  N   LIG    1       -2.794  -1.996  -1.305  0.00  0.00    -0.309 N 
ATOM     17  H   LIG    1       -3.082  -2.706  -1.968  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        2.725  -0.564  -0.601  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        3.876  -1.318  -0.348  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1        5.127  -0.753  -0.580  0.00  0.00    +0.042 A 
ATOM     21 CL   LIG    1        6.549  -1.667  -0.257  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1        5.240   0.547  -1.073  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        4.091   1.292  -1.346  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        2.832   0.735  -1.116  0.00  0.00    +0.013 A 
ENDBRANCH   9  18
TORSDOF 1