REMARK  Name = BDB028811
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.156   0.258  -1.624  0.00  0.00    -0.111 S 
ENDROOT
BRANCH   1   8
ATOM      2  O   LIG    1       -4.741  -0.870  -0.150  0.00  0.00    -0.275 OA
ATOM      3  C   LIG    1       -3.631  -0.346  -0.148  0.00  0.00    +0.219 C 
ATOM      4  N   LIG    1       -3.436   0.898  -0.692  0.00  0.00    -0.255 N 
ATOM      5  H   LIG    1       -4.265   1.357  -1.046  0.00  0.00    +0.158 HD
ATOM      6  C   LIG    1       -2.292   1.661  -0.678  0.00  0.00    +0.233 C 
ATOM      7  O   LIG    1       -2.315   2.824  -1.076  0.00  0.00    -0.274 OA
ATOM      8  C   LIG    1       -1.022   0.988  -0.173  0.00  0.00    +0.138 C 
ATOM      9  C   LIG    1       -1.378  -0.041   0.900  0.00  0.00    +0.033 C 
ATOM     10  C   LIG    1       -2.414  -1.042   0.410  0.00  0.00    +0.098 C 
ENDBRANCH   1   8
BRANCH   1  11
ATOM     11  C   LIG    1        1.472  -0.008  -0.927  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        2.413   1.012  -0.707  0.00  0.00    +0.056 A 
ATOM     13 CL   LIG    1        2.096   2.667  -1.089  0.00  0.00    -0.082 Cl
ATOM     14  C   LIG    1        3.669   0.712  -0.169  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1        4.004  -0.607   0.143  0.00  0.00    +0.061 A 
ATOM     16 CL   LIG    1        5.570  -0.903   0.809  0.00  0.00    -0.082 Cl
ATOM     17  C   LIG    1        3.082  -1.632  -0.088  0.00  0.00    +0.060 A 
ATOM     18 CL   LIG    1        3.426  -3.286   0.271  0.00  0.00    -0.082 Cl
ATOM     19  C   LIG    1        1.826  -1.332  -0.626  0.00  0.00    +0.037 A 
ENDBRANCH   1  11
TORSDOF 2