REMARK  Name = BDB025282
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.128   0.410  -0.127  0.00  0.00    -0.328 N 
ATOM      2  C   LIG    1       -0.903   1.322   0.574  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -2.239   0.976   0.363  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1       -3.242   1.747   0.968  0.00  0.00    +0.121 A 
ATOM      5  N   LIG    1       -2.929   2.809   1.747  0.00  0.00    -0.263 NA
ATOM      6  C   LIG    1       -1.629   3.116   1.927  0.00  0.00    +0.113 A 
ATOM      7  C   LIG    1       -2.260  -0.177  -0.478  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -3.303  -0.965  -1.013  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -3.001  -2.063  -1.821  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.679  -2.385  -2.102  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -0.628  -1.622  -1.585  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -0.564   2.419   1.376  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -0.936  -0.516  -0.770  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  20
ATOM     14  O   LIG    1        5.064  -1.212  -0.913  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        3.932  -0.810  -0.664  0.00  0.00    +0.219 C 
ATOM     16  N   LIG    1        3.124  -0.310  -1.653  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1        3.539  -0.271  -2.575  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1        1.953   0.400  -1.500  0.00  0.00    +0.242 C 
ATOM     19  O   LIG    1        1.511   1.052  -2.442  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1        1.339   0.394  -0.106  0.00  0.00    +0.174 C 
ATOM     21  C   LIG    1        1.870  -0.763   0.745  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        3.389  -0.749   0.743  0.00  0.00    +0.099 C 
ENDBRANCH   1  20
TORSDOF 1