REMARK  Name = BDB016180
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.393   0.295   1.510  0.00  0.00    +0.021 A 
ATOM      2  C   LIG    1        1.595   0.407   0.739  0.00  0.00    +0.058 A 
ATOM      3  N   LIG    1        1.589  -0.164  -0.552  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1        0.631  -0.201  -0.904  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1        2.519   0.338  -1.552  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1        3.891  -0.225  -1.255  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1        4.617   0.657  -0.293  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1        4.023   1.121   0.833  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1        4.692   1.633   1.395  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        5.805   0.941  -0.482  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1        2.045  -0.143  -2.928  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1        2.724   0.987   1.365  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        2.599   1.514   2.669  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        1.409   1.432   3.386  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        0.313   0.812   2.812  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  25
ATOM     16  C   LIG    1       -2.027   0.220   0.586  0.00  0.00    -0.014 A 
ATOM     17  C   LIG    1       -2.872  -0.840   0.121  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -2.158  -2.033   0.233  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1       -2.703  -3.266  -0.164  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1       -4.004  -3.281  -0.674  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -4.740  -2.107  -0.785  0.00  0.00    +0.001 A 
ATOM     22  N   LIG    1       -0.929  -1.718   0.778  0.00  0.00    -0.343 N 
ATOM     23  C   LIG    1        0.091  -2.700   1.091  0.00  0.00    +0.149 C 
ATOM     24  C   LIG    1       -4.186  -0.884  -0.392  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -0.819  -0.354   0.974  0.00  0.00    +0.055 A 
BRANCH  16  26
ATOM     26  C   LIG    1       -2.399   1.674   0.638  0.00  0.00    +0.037 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -1.081   2.475  -1.395  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1       -2.444   2.363  -0.728  0.00  0.00    +0.001 C 
ENDBRANCH  26  28
ENDBRANCH  16  26
ENDBRANCH   1  25
TORSDOF 3