REMARK  Name = BDB028822
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.644   0.161  -0.663  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        4.480   0.062  -0.285  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1        4.109  -0.878   0.641  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1        4.849  -1.490   0.958  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1        2.833  -1.315   0.910  0.00  0.00    +0.232 C 
ATOM      6  O   LIG    1        2.672  -2.403   1.461  0.00  0.00    -0.274 OA
ATOM      7  C   LIG    1        1.686  -0.440   0.392  0.00  0.00    +0.133 C 
ATOM      8  C   LIG    1        2.182   0.969   0.069  0.00  0.00    +0.033 C 
ATOM      9  C   LIG    1        3.368   0.890  -0.879  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   7  10
ATOM     10  S   LIG    1        0.363  -0.344   1.662  0.00  0.00    -0.145 S 
BRANCH  10  11
ATOM     11  C   LIG    1       -1.076   0.125   0.626  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1       -2.238   0.522   1.540  0.00  0.00    +0.014 C 
ATOM     13  C   LIG    1       -3.438   1.031   0.734  0.00  0.00    +0.001 C 
ATOM     14  C   LIG    1       -3.564   0.389  -0.648  0.00  0.00    +0.000 C 
ATOM     15  C   LIG    1       -2.974  -1.014  -0.674  0.00  0.00    +0.001 C 
ATOM     16  C   LIG    1       -1.481  -1.012  -0.328  0.00  0.00    +0.014 C 
ENDBRANCH  10  11
ENDBRANCH   7  10
TORSDOF 2