REMARK  Name = BDB028758
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.785   1.335   1.547  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -2.911   0.923   0.790  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -1.807   0.271   1.274  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1       -1.835   0.095   2.269  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -1.046  -0.623   0.561  0.00  0.00    +0.233 C 
ATOM      6  O   LIG    1       -0.507  -1.578   1.118  0.00  0.00    -0.274 OA
ATOM      7  C   LIG    1       -0.978  -0.410  -0.943  0.00  0.00    +0.139 C 
ATOM      8  C   LIG    1       -2.381  -0.077  -1.450  0.00  0.00    +0.033 C 
ATOM      9  C   LIG    1       -2.990   1.108  -0.708  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   7  10
ATOM     10  S   LIG    1        0.210   0.909  -1.390  0.00  0.00    -0.093 S 
BRANCH  10  11
ATOM     11  C   LIG    1        1.638   0.336  -0.503  0.00  0.00    +0.098 A 
ATOM     12  N   LIG    1        1.762   0.780   0.766  0.00  0.00    -0.249 NA
ATOM     13  C   LIG    1        2.836   0.348   1.462  0.00  0.00    +0.112 A 
ATOM     14  C   LIG    1        3.800  -0.501   0.945  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        3.657  -0.935  -0.368  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        2.558  -0.510  -1.109  0.00  0.00    +0.035 A 
ENDBRANCH  10  11
ENDBRANCH   7  10
TORSDOF 2