REMARK  Name = BDB016273
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.775   2.045   0.692  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1       -2.299   1.550  -0.672  0.00  0.00    +0.179 C 
ATOM      3  O   LIG    1       -1.285   0.560  -0.594  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1       -1.534  -0.662  -0.036  0.00  0.00    +0.150 A 
ATOM      5  C   LIG    1       -2.779  -1.300   0.091  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1       -2.835  -2.556   0.726  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.688  -3.190   1.196  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -0.456  -2.574   1.041  0.00  0.00    +0.012 A 
ATOM      9  N   LIG    1       -4.029  -0.834  -0.353  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1       -4.840  -1.391  -0.111  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -4.392   0.242  -1.091  0.00  0.00    +0.221 C 
ATOM     12  O   LIG    1       -5.591   0.415  -1.327  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -0.357  -1.313   0.430  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -3.364   1.159  -1.667  0.00  0.00    +0.140 C 
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1        0.979  -0.698   0.311  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        1.909  -1.196  -0.622  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        3.184  -0.609  -0.716  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.342  -0.819  -1.496  0.00  0.00    +0.143 A 
ATOM     19  N   LIG    1        5.329   0.029  -1.195  0.00  0.00    -0.179 NA
ATOM     20  N   LIG    1        4.797   0.795  -0.221  0.00  0.00    -0.267 N 
ATOM     21  C   LIG    1        5.589   1.851   0.364  0.00  0.00    +0.173 C 
ATOM     22  C   LIG    1        3.509   0.457   0.117  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1        2.611   0.977   1.056  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        1.346   0.379   1.134  0.00  0.00    +0.011 A 
ENDBRANCH  13  15
TORSDOF 1