REMARK  Name = BDB025445
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.291   1.117  -1.099  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1       -4.078   0.522  -0.779  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -2.872   1.235  -1.258  0.00  0.00    +0.165 C 
ATOM      4  C   LIG    1       -1.643   0.721  -0.576  0.00  0.00    +0.086 A 
ATOM      5  N   LIG    1       -0.441   1.271  -0.728  0.00  0.00    -0.165 NA
ATOM      6  N   LIG    1        0.420   0.479  -0.004  0.00  0.00    -0.185 N 
ATOM      7  C   LIG    1       -0.310  -0.489   0.719  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        1.811   0.725  -0.156  0.00  0.00    +0.257 C 
ATOM      9  O   LIG    1        2.179   1.727  -0.768  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -1.612  -0.390   0.286  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1       -2.839  -1.152   0.621  0.00  0.00    +0.059 C 
ATOM     12  C   LIG    1       -3.920  -0.909  -0.448  0.00  0.00    +0.113 C 
ATOM     13  O   LIG    1       -5.353   2.201  -1.683  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  14
ATOM     14  C   LIG    1        2.759  -0.329   0.396  0.00  0.00    +0.113 C 
ATOM     15  C   LIG    1        4.174   0.211   0.574  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        5.208  -0.171  -0.299  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1        6.504   0.307  -0.061  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        6.763   1.203   0.977  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        5.730   1.615   1.811  0.00  0.00    +0.000 A 
ATOM     20  N   LIG    1        5.014  -1.129  -1.306  0.00  0.00    -0.344 N 
ATOM     21  H   LIG    1        5.653  -0.982  -2.084  0.00  0.00    +0.146 HD
ATOM     22  C   LIG    1        3.637  -1.329  -1.729  0.00  0.00    +0.102 C 
ATOM     23  C   LIG    1        4.442   1.119   1.616  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        2.757  -1.569  -0.510  0.00  0.00    +0.036 C 
ENDBRANCH   8  14
BRANCH   7  25
ATOM     25  N   LIG    1        0.182  -1.348   1.652  0.00  0.00    -0.343 N 
ATOM     26  H   LIG    1        0.788  -0.968   2.381  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1       -0.495  -1.959   2.111  0.00  0.00    +0.144 HD
ENDBRANCH   7  25
BRANCH   1  29
ATOM     28  C   LIG    1       -6.798   0.526   0.821  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1       -6.575   0.427  -0.677  0.00  0.00    +0.092 C 
ENDBRANCH   1  29
TORSDOF 3