REMARK  Name = BDB002580
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.619  -1.529   0.339  0.00  0.00    +0.318 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        1.548  -2.709  -0.558  0.00  0.00    +0.042 N 
ATOM      3  O   LIG    1        1.603  -3.827  -0.028  0.00  0.00    -0.131 OA
ATOM      4  O   LIG    1        1.405  -2.505  -1.774  0.00  0.00    -0.131 OA
ENDBRANCH   1   2
BRANCH   1   5
ATOM      5  C   LIG    1        2.860  -0.791  -0.047  0.00  0.00    +0.342 C 
ATOM      6  O   LIG    1        3.963  -1.307  -0.178  0.00  0.00    -0.248 OA
BRANCH   5   8
ATOM      7  C   LIG    1        3.790   1.316  -0.518  0.00  0.00    +0.280 C 
ATOM      8  O   LIG    1        2.632   0.548  -0.177  0.00  0.00    -0.466 OA
ENDBRANCH   5   8
ENDBRANCH   1   5
BRANCH   1   9
ATOM      9  C   LIG    1        0.330  -0.795   0.157  0.00  0.00    +0.127 C 
ATOM     10  N   LIG    1       -0.479  -0.622   1.155  0.00  0.00    -0.257 NA
BRANCH  10  11
ATOM     11  C   LIG    1       -1.656   0.083   0.866  0.00  0.00    +0.064 A 
ATOM     12  C   LIG    1       -1.699   1.472   1.011  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -2.871   2.176   0.728  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -4.010   1.490   0.307  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -3.979   0.102   0.175  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -2.805  -0.599   0.459  0.00  0.00    +0.028 A 
ENDBRANCH  10  11
ENDBRANCH   1   9
TORSDOF 5