REMARK  Name = BDB050470
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.156  -0.846   0.078  0.00  0.00    +0.089 A 
ATOM      2  C   LIG    1        0.349  -1.429  -1.177  0.00  0.00    +0.235 A 
ATOM      3  F   LIG    1        1.553  -1.293  -1.760  0.00  0.00    -0.182 F 
ATOM      4  N   LIG    1       -0.580  -2.140  -1.849  0.00  0.00    -0.226 NA
ATOM      5  C   LIG    1       -1.782  -2.273  -1.246  0.00  0.00    +0.119 A 
ATOM      6  C   LIG    1       -2.098  -1.730  -0.003  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1       -1.092  -1.020   0.670  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   1  10
ATOM      8  O   LIG    1        0.282   0.664   2.616  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        1.242   0.549   1.857  0.00  0.00    +0.222 C 
ATOM     10  N   LIG    1        1.232  -0.137   0.662  0.00  0.00    -0.282 N 
ATOM     11  H   LIG    1        2.067  -0.085   0.081  0.00  0.00    +0.155 HD
BRANCH   9  12
ATOM     12  C   LIG    1        2.594   1.141   2.252  0.00  0.00    +0.094 C 
ATOM     13  C   LIG    1        3.283   1.879   1.116  0.00  0.00    +0.120 C 
ATOM     14  N   LIG    1        4.124   0.871   0.491  0.00  0.00    -0.301 N 
ATOM     15  C   LIG    1        4.705   1.092  -0.740  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        4.501   2.101  -1.404  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        4.366  -0.261   1.371  0.00  0.00    +0.108 C 
ATOM     18  C   LIG    1        3.606   0.065   2.653  0.00  0.00    +0.033 C 
BRANCH  15  19
ATOM     19  C   LIG    1        5.588   0.014  -1.260  0.00  0.00    +0.075 C 
ATOM     20  C   LIG    1        7.020  -0.094  -0.786  0.00  0.00    +0.013 C 
ATOM     21  C   LIG    1        6.734   0.356  -2.186  0.00  0.00    +0.013 C 
ENDBRANCH  15  19
ENDBRANCH   9  12
ENDBRANCH   1  10
BRANCH   6  22
ATOM     22  C   LIG    1       -3.464  -1.925   0.613  0.00  0.00    +0.163 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.547  -1.321  -0.166  0.00  0.00    -0.289 N 
ATOM     24  C   LIG    1       -4.843   0.075  -0.075  0.00  0.00    +0.059 A 
ATOM     25  C   LIG    1       -5.864   0.617  -0.866  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1       -6.187   1.980  -0.821  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -5.485   2.829   0.029  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -4.471   2.312   0.828  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -6.621  -0.269  -1.764  0.00  0.00    +0.262 A 
ATOM     30  O   LIG    1       -7.516   0.150  -2.489  0.00  0.00    -0.267 OA
ATOM     31  N   LIG    1       -6.267  -1.588  -1.741  0.00  0.00    -0.274 N 
ATOM     32  H   LIG    1       -6.769  -2.202  -2.363  0.00  0.00    +0.173 HD
ATOM     33  C   LIG    1       -4.154   0.949   0.779  0.00  0.00    +0.027 A 
ATOM     34  C   LIG    1       -5.261  -2.155  -1.014  0.00  0.00    +0.330 A 
ATOM     35  O   LIG    1       -5.028  -3.356  -1.147  0.00  0.00    -0.246 OA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 5