REMARK  Name = BDB056396
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.048   4.448  -1.603  0.00  0.00    -0.245 OA
ATOM      2  C   LIG    1       -0.424   3.540  -0.926  0.00  0.00    +0.350 A 
ATOM      3  N   LIG    1       -1.521   3.803  -0.159  0.00  0.00    -0.273 N 
ATOM      4  H   LIG    1       -1.874   4.745  -0.225  0.00  0.00    +0.174 HD
ATOM      5  C   LIG    1       -2.381   2.860   0.302  0.00  0.00    +0.263 A 
ATOM      6  O   LIG    1       -3.496   3.131   0.731  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -1.859   1.490   0.206  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1       -0.525   1.259  -0.409  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1        0.045  -0.042  -0.405  0.00  0.00    -0.292 N 
ATOM     10  C   LIG    1       -0.795  -1.164  -0.045  0.00  0.00    +0.070 A 
ATOM     11  C   LIG    1       -2.056  -0.909   0.552  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.876  -1.958   0.997  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -2.485  -3.279   0.823  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -1.292  -3.559   0.168  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -0.462  -2.520  -0.283  0.00  0.00    +0.042 A 
ATOM     16 BR   LIG    1        1.011  -3.099  -1.349  0.00  0.00    -0.048 Br
ATOM     17  C   LIG    1       -2.556   0.458   0.690  0.00  0.00    +0.027 A 
ATOM     18  N   LIG    1        0.105   2.282  -0.925  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   9  19
ATOM     19  C   LIG    1        1.478  -0.096  -0.303  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1        2.294   0.356  -1.355  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        3.687   0.306  -1.252  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1        4.278  -0.192  -0.094  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1        5.992  -0.256   0.033  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        3.490  -0.638   0.964  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1        2.096  -0.589   0.862  0.00  0.00    +0.027 A 
ENDBRANCH   9  19
TORSDOF 1