REMARK  Name = BDB018717
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -5.019   0.311  -0.411  0.00  0.00    -0.265 N 
ATOM      2  C   LIG    1       -4.285  -0.458   0.651  0.00  0.00    +0.174 C 
ATOM      3  C   LIG    1       -2.845   0.089   0.652  0.00  0.00    +0.205 C 
ATOM      4  C   LIG    1       -2.277   0.097   2.083  0.00  0.00    +0.263 C 
ATOM      5  O   LIG    1       -2.952   0.188   3.104  0.00  0.00    -0.271 OA
ATOM      6  N   LIG    1       -0.907   0.099   2.152  0.00  0.00    -0.278 N 
ATOM      7  H   LIG    1       -0.486   0.199   3.067  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -0.132  -0.167   1.021  0.00  0.00    +0.096 A 
ATOM      9  C   LIG    1       -0.732  -0.515  -0.187  0.00  0.00    +0.238 A 
ATOM     10  N   LIG    1       -0.036  -0.811  -1.299  0.00  0.00    -0.219 NA
ATOM     11  C   LIG    1        1.315  -0.755  -1.202  0.00  0.00    +0.123 A 
ATOM     12  C   LIG    1        2.023  -0.426  -0.042  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        1.258  -0.129   1.094  0.00  0.00    +0.038 A 
ATOM     14  O   LIG    1       -2.090  -0.634  -0.323  0.00  0.00    -0.457 OA
ATOM     15  C   LIG    1       -3.055   1.525   0.158  0.00  0.00    +0.079 C 
ATOM     16  C   LIG    1       -4.113   1.367  -0.924  0.00  0.00    +0.121 C 
ENDROOT
BRANCH  12  17
ATOM     17  C   LIG    1        3.493  -0.398  -0.014  0.00  0.00    -0.016 A 
ATOM     18  C   LIG    1        4.186   0.734   0.455  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1        5.583   0.760   0.482  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1        6.298  -0.345   0.042  0.00  0.00    +0.123 A 
ATOM     21  F   LIG    1        7.636  -0.319   0.069  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        5.643  -1.476  -0.426  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1        4.246  -1.502  -0.454  0.00  0.00    +0.011 A 
ENDBRANCH  12  17
BRANCH   1  25
ATOM     24  N   LIG    1       -6.977  -0.585  -1.673  0.00  0.00    -0.174 NA
ATOM     25  C   LIG    1       -6.070  -0.169  -1.087  0.00  0.00    +0.169 C 
ENDBRANCH   1  25
TORSDOF 2