REMARK  Name = BDB025259
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.033  -0.168   0.227  0.00  0.00    -0.328 N 
ATOM      2  C   LIG    1       -0.863  -1.205   0.627  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -2.177  -0.751   0.493  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1       -3.239  -1.615   0.840  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -2.964  -2.903   1.306  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.651  -3.339   1.429  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -2.126   0.584  -0.010  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -3.122   1.528  -0.346  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -2.753   2.783  -0.836  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.412   3.108  -0.994  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -0.407   2.191  -0.670  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -0.581  -2.503   1.093  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -0.782   0.927  -0.176  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  20
ATOM     14  O   LIG    1        5.217   1.023  -0.884  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        4.066   0.673  -0.643  0.00  0.00    +0.219 C 
ATOM     16  N   LIG    1        3.326   1.292   0.333  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1        3.807   2.020   0.846  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1        2.142   0.859   0.889  0.00  0.00    +0.242 C 
ATOM     19  O   LIG    1        1.767   1.333   1.958  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1        1.429  -0.270   0.158  0.00  0.00    +0.174 C 
ATOM     21  C   LIG    1        1.906  -0.402  -1.291  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        3.422  -0.508  -1.327  0.00  0.00    +0.099 C 
ENDBRANCH   1  20
TORSDOF 1