REMARK  Name = BDB028291
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.208  -0.578  -0.841  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -1.527  -0.744  -0.393  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.534   0.132  -0.819  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.215   1.177  -1.683  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -3.272   2.111  -2.102  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.523   1.882  -1.583  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.264   2.519  -1.858  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.872   0.865  -0.750  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -3.038   3.040  -2.867  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -0.905   1.345  -2.142  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.950   0.020  -0.386  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.095   0.466  -1.724  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1        3.918  -2.524   1.159  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1        2.655  -2.331   0.484  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1        2.029  -1.134   0.201  0.00  0.00    +0.076 A 
ATOM     16  C   LIG    1        0.824  -1.493  -0.391  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        0.844  -2.904  -0.429  0.00  0.00    +0.143 A 
ATOM     18  N   LIG    1        1.959  -3.416   0.090  0.00  0.00    -0.179 NA
BRANCH  15  19
ATOM     19  C   LIG    1        2.578   0.175   0.547  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        1.930   0.981   1.493  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        2.446   2.236   1.821  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        3.607   2.682   1.201  0.00  0.00    +0.123 A 
ATOM     23  F   LIG    1        4.104   3.885   1.515  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1        4.261   1.898   0.257  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        3.745   0.643  -0.073  0.00  0.00    +0.013 A 
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH  11  26
ATOM     26  C   LIG    1       -4.377  -1.121   0.534  0.00  0.00    +0.136 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -3.976  -0.805   1.907  0.00  0.00    -0.325 NA
ATOM     28  H   LIG    1       -4.358  -1.516   2.531  0.00  0.00    +0.119 HD
ATOM     29  H   LIG    1       -4.435   0.067   2.179  0.00  0.00    +0.119 HD
ENDBRANCH  26  27
ENDBRANCH  11  26
TORSDOF 4