REMARK  Name = BDB045507
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.245  -1.433  -0.322  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -4.023  -1.361  -0.257  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -3.345  -0.068  -0.090  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -1.964  -0.068  -0.026  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -1.219   1.104   0.131  0.00  0.00    +0.078 A 
ATOM      6  N   LIG    1        0.193   1.111   0.197  0.00  0.00    -0.229 NA
ATOM      7  C   LIG    1        0.820  -0.037   0.106  0.00  0.00    +0.140 A 
ATOM      8  N   LIG    1        0.123  -1.219  -0.051  0.00  0.00    -0.323 N 
ATOM      9  H   LIG    1        0.612  -2.098  -0.120  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -1.918   2.308   0.225  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -3.319   2.329   0.162  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -1.239  -1.333  -0.126  0.00  0.00    +0.162 A 
ATOM     13  N   LIG    1       -1.839  -2.479  -0.273  0.00  0.00    -0.153 NA
ATOM     14  C   LIG    1       -4.037   1.139   0.004  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -3.207  -2.471  -0.336  0.00  0.00    -0.241 N 
ATOM     16  H   LIG    1       -3.659  -3.372  -0.451  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1        2.324  -0.032   0.176  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1        3.081  -1.208   0.088  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1        4.478  -1.155   0.158  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        5.128   0.068   0.316  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.386   1.242   0.405  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        2.991   1.192   0.335  0.00  0.00    +0.011 A 
ENDBRANCH   7  17
TORSDOF 1