REMARK  Name = BDB028839
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.781  -1.784  -1.405  0.00  0.00    -0.093 S 
ENDROOT
BRANCH   1   8
ATOM      2  O   LIG    1        2.738   2.112   2.490  0.00  0.00    -0.275 OA
ATOM      3  C   LIG    1        2.409   1.294   1.637  0.00  0.00    +0.219 C 
ATOM      4  N   LIG    1        1.542   0.273   1.932  0.00  0.00    -0.255 N 
ATOM      5  H   LIG    1        1.218   0.245   2.890  0.00  0.00    +0.158 HD
ATOM      6  C   LIG    1        1.306  -0.861   1.190  0.00  0.00    +0.233 C 
ATOM      7  O   LIG    1        0.758  -1.831   1.712  0.00  0.00    -0.274 OA
ATOM      8  C   LIG    1        1.846  -0.853  -0.238  0.00  0.00    +0.139 C 
ATOM      9  C   LIG    1        2.103   0.567  -0.738  0.00  0.00    +0.033 C 
ATOM     10  C   LIG    1        3.004   1.294   0.249  0.00  0.00    +0.098 C 
ENDBRANCH   1   8
BRANCH   1  11
ATOM     11  C   LIG    1       -0.849  -1.321  -0.858  0.00  0.00    +0.099 A 
ATOM     12  N   LIG    1       -1.147  -0.004  -0.830  0.00  0.00    -0.234 NA
ATOM     13  CA  LIG    1       -2.413   0.313  -0.423  0.00  0.00    +0.149 A 
ATOM     14  C   LIG    1       -3.379  -0.609  -0.048  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -3.039  -1.953  -0.100  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -1.760  -2.317  -0.518  0.00  0.00    +0.035 A 
BRANCH  13  17
ATOM     17  C   LIG    1       -2.731   1.771  -0.418  0.00  0.00    +0.355 C 
ATOM     18  O   LIG    1       -3.770   2.261  -0.016  0.00  0.00    -0.243 OA
BRANCH  17  19
ATOM     19  OXT LIG    1       -1.696   2.479  -0.933  0.00  0.00    -0.476 OA
ATOM     20  HXT LIG    1       -0.994   1.849  -1.215  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  13  17
ENDBRANCH   1  11
TORSDOF 4