REMARK  Name = BDB025326
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.105  -0.040   0.406  0.00  0.00    -0.321 N 
ATOM      2  C   LIG    1       -0.303   1.304   0.374  0.00  0.00    +0.109 A 
ATOM      3  C   LIG    1       -1.586   1.563   0.055  0.00  0.00    +0.104 A 
ATOM      4  N   LIG    1       -1.965   2.868  -0.028  0.00  0.00    -0.245 NA
ATOM      5  C   LIG    1       -0.896   3.594   0.257  0.00  0.00    +0.158 A 
ATOM      6  C   LIG    1       -2.274   0.359  -0.139  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -3.593   0.013  -0.484  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -3.939  -1.336  -0.599  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.991  -2.332  -0.378  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -1.672  -2.015  -0.035  0.00  0.00    +0.026 A 
ATOM     11  S   LIG    1        0.564   2.714   0.608  0.00  0.00    -0.058 S 
ATOM     12  C   LIG    1       -1.324  -0.658   0.084  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1  19
ATOM     13  O   LIG    1        4.572   1.238  -0.502  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        3.575   0.599  -0.181  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1        3.217   0.462   1.137  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        3.814   0.934   1.803  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        2.066  -0.088   1.651  0.00  0.00    +0.242 C 
ATOM     18  O   LIG    1        1.819   0.001   2.852  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1        1.132  -0.777   0.671  0.00  0.00    +0.175 C 
ATOM     20  C   LIG    1        1.872  -1.181  -0.608  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        2.646  -0.015  -1.200  0.00  0.00    +0.099 C 
ENDBRANCH   1  19
TORSDOF 1