REMARK  Name = BDB002752
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.212   0.248   0.426  0.00  0.00    +0.147 A 
ATOM      2  C   LIG    1       -0.380   1.410  -0.092  0.00  0.00    +0.146 A 
ATOM      3  C   LIG    1       -1.611   1.299  -0.750  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -2.240   0.056  -0.884  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.649  -1.095  -0.356  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -0.421  -0.998   0.304  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1        1.784   0.364   1.244  0.00  0.00    +0.062 S 
ATOM      8  O   LIG    1        1.529   0.785   2.605  0.00  0.00    -0.153 OA
ATOM      9  O   LIG    1        2.730   1.034   0.380  0.00  0.00    -0.153 OA
BRANCH   7  11
ATOM     10  C   LIG    1        3.069  -1.803   0.268  0.00  0.00    +0.127 C 
ATOM     11  N   LIG    1        2.308  -1.236   1.377  0.00  0.00    -0.193 NA
ATOM     12  H   LIG    1        2.612  -1.450   2.326  0.00  0.00    +0.148 HD
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   2  13
ATOM     13  O   LIG    1        0.281   2.590   0.101  0.00  0.00    -0.493 OA
ATOM     14  C   LIG    1       -0.260   3.768  -0.482  0.00  0.00    +0.277 C 
ENDBRANCH   2  13
BRANCH   5  15
ATOM     15  C   LIG    1       -2.282  -2.431  -0.472  0.00  0.00    +0.337 C 
ATOM     16  O   LIG    1       -1.809  -3.478  -0.070  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -3.475  -2.391  -1.089  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1       -3.773  -3.325  -1.091  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH   5  15
TORSDOF 5