REMARK  Name = BDB047652
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.107   3.062   0.587  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.947   2.721   0.488  0.00  0.00    +0.245 C 
ATOM      3  C   LIG    1       -1.451   1.357   0.264  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1       -2.141   0.182   0.112  0.00  0.00    -0.030 A 
ATOM      5  C   LIG    1       -3.614  -0.064   0.155  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1       -3.700  -1.458  -0.485  0.00  0.00    +0.009 C 
ATOM      7  C   LIG    1       -2.382  -2.175  -0.163  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -1.432  -1.014  -0.072  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -0.032  -0.977  -0.107  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1        0.686   0.219   0.034  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        2.077  -0.107  -0.054  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        2.170  -1.488  -0.241  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1        3.393  -2.157  -0.368  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        4.561  -1.391  -0.301  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        4.496  -0.013  -0.115  0.00  0.00    +0.042 A 
ATOM     16 CL   LIG    1        5.954   0.902  -0.037  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        3.268   0.645   0.011  0.00  0.00    +0.030 A 
ATOM     18  N   LIG    1        0.887  -1.984  -0.266  0.00  0.00    -0.354 N 
ATOM     19  H   LIG    1        0.651  -2.958  -0.388  0.00  0.00    +0.166 HD
ATOM     20  C   LIG    1       -0.049   1.405   0.224  0.00  0.00    -0.008 A 
ATOM     21  C   LIG    1        0.403   2.822   0.416  0.00  0.00    +0.141 C 
ATOM     22  N   LIG    1       -0.840   3.537   0.567  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1       -0.934   4.531   0.723  0.00  0.00    +0.149 HD
ENDROOT
TORSDOF 0