REMARK  Name = BDB064825
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.292  -1.922   0.698  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        4.226  -1.367   0.447  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1        4.142   0.001   0.391  0.00  0.00    -0.253 N 
ATOM      4  H   LIG    1        4.997   0.474   0.654  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1        2.994   0.728   0.606  0.00  0.00    +0.266 C 
ATOM      6  O   LIG    1        3.057   1.853   1.099  0.00  0.00    -0.271 OA
ATOM      7  C   LIG    1        1.686   0.025   0.248  0.00  0.00    +0.220 C 
ATOM      8  O   LIG    1        1.599   0.020  -1.188  0.00  0.00    -0.377 OA
ATOM      9  N   LIG    1        0.237   0.141  -1.549  0.00  0.00    -0.088 NA
ATOM     10  C   LIG    1       -0.391   0.559  -0.500  0.00  0.00    +0.094 C 
ATOM     11  C   LIG    1        0.455   0.788   0.702  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1        1.741  -1.414   0.764  0.00  0.00    +0.070 C 
ATOM     13  C   LIG    1        2.953  -2.136   0.187  0.00  0.00    +0.100 C 
ENDROOT
BRANCH  10  14
ATOM     14  C   LIG    1       -1.839   0.815  -0.486  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -2.755  -0.067  -1.068  0.00  0.00    +0.135 A 
ATOM     16  C   LIG    1       -4.123   0.234  -1.119  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1       -4.577   1.433  -0.572  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -3.674   2.316   0.025  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -2.309   2.012   0.069  0.00  0.00    +0.012 A 
BRANCH  15  20
ATOM     20  N   LIG    1       -2.332  -1.372  -1.540  0.00  0.00    +0.057 N 
ATOM     21  O   LIG    1       -1.736  -2.094  -0.727  0.00  0.00    -0.126 OA
ATOM     22  O   LIG    1       -2.672  -1.698  -2.685  0.00  0.00    -0.126 OA
ENDBRANCH  15  20
ENDBRANCH  10  14
TORSDOF 2