REMARK  Name = BDB000557
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.342   0.500   0.229  0.00  0.00    +0.056 A 
ATOM      2  C   LIG    1       -2.041  -0.564   0.813  0.00  0.00    +0.139 A 
ATOM      3  C   LIG    1       -3.376  -0.840   0.481  0.00  0.00    +0.066 A 
ATOM      4  C   LIG    1       -4.016  -0.022  -0.457  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -3.335   1.051  -1.051  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -2.004   1.314  -0.702  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1       -1.372  -1.464   1.736  0.00  0.00    +0.057 N 
ATOM      8  O   LIG    1       -1.959  -1.728   2.791  0.00  0.00    -0.126 OA
ATOM      9  O   LIG    1       -0.293  -1.943   1.363  0.00  0.00    -0.126 OA
ENDBRANCH   2   7
BRANCH   4  10
ATOM     10  N   LIG    1       -5.413  -0.292  -0.827  0.00  0.00    +0.056 N 
ATOM     11  O   LIG    1       -5.971   0.510  -1.586  0.00  0.00    -0.126 OA
ATOM     12  O   LIG    1       -5.941  -1.308  -0.357  0.00  0.00    -0.126 OA
ENDBRANCH   4  10
BRANCH   1  13
ATOM     13  C   LIG    1        0.025   0.848   0.667  0.00  0.00    +0.235 C 
ATOM     14  O   LIG    1        0.238   1.032   1.857  0.00  0.00    -0.283 OA
BRANCH  13  16
ATOM     15  O   LIG    1        0.869   1.559  -1.416  0.00  0.00    -0.283 OA
ATOM     16  C   LIG    1        1.133   0.986  -0.363  0.00  0.00    +0.233 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.490   0.430  -0.115  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1        2.795  -0.362   0.998  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        4.087  -0.867   1.168  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        5.080  -0.588   0.231  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.785   0.197  -0.882  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        3.495   0.703  -1.055  0.00  0.00    +0.012 A 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
TORSDOF 5