REMARK  Name = BDB050721
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.407   0.285   0.279  0.00  0.00    +0.075 A 
ATOM      2  C   LIG    1       -0.309  -0.410   1.478  0.00  0.00    +0.170 A 
ATOM      3  F   LIG    1        0.581  -0.052   2.416  0.00  0.00    -0.202 F 
ATOM      4  C   LIG    1       -1.149  -1.491   1.712  0.00  0.00    +0.159 A 
ATOM      5  F   LIG    1       -1.045  -2.184   2.855  0.00  0.00    -0.202 F 
ATOM      6  C   LIG    1       -2.107  -1.870   0.773  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1       -2.249  -1.149  -0.422  0.00  0.00    -0.038 A 
ATOM      8  C   LIG    1       -1.381  -0.074  -0.666  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  10
ATOM      9  O   LIG    1       -0.151   2.504  -0.291  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        0.434   1.462   0.000  0.00  0.00    +0.250 C 
ATOM     11  N   LIG    1        1.816   1.346   0.037  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.619   2.552  -0.172  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        4.040   2.393   0.391  0.00  0.00    +0.103 C 
ATOM     14  N   LIG    1        4.798   1.279  -0.221  0.00  0.00    -0.299 NA
ATOM     15  C   LIG    1        3.918   0.157  -0.608  0.00  0.00    +0.103 C 
ATOM     16  C   LIG    1        2.567   0.088   0.133  0.00  0.00    +0.123 C 
BRANCH  14  17
ATOM     17  C   LIG    1        5.903   0.877   0.655  0.00  0.00    +0.088 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.933   0.111  -0.123  0.00  0.00    +0.003 C 
ATOM     19  C   LIG    1        8.105  -0.504   0.603  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1        7.058  -1.389  -0.008  0.00  0.00    +0.005 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   1  10
BRANCH   7  21
ATOM     21  C   LIG    1       -3.293  -1.536  -1.447  0.00  0.00    +0.093 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.693  -1.669  -0.862  0.00  0.00    +0.074 A 
ATOM     23  C   LIG    1       -5.503  -0.455  -0.578  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1       -6.769  -0.652  -0.030  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1       -7.595   0.439   0.272  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1       -7.147   1.735   0.024  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -5.882   1.939  -0.524  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -7.235  -2.023   0.230  0.00  0.00    +0.272 A 
ATOM     29  O   LIG    1       -8.343  -2.244   0.706  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -6.359  -3.030  -0.092  0.00  0.00    -0.242 N 
ATOM     31  H   LIG    1       -6.666  -3.983   0.081  0.00  0.00    +0.192 HD
ATOM     32  C   LIG    1       -5.059   0.849  -0.827  0.00  0.00    +0.010 A 
ATOM     33  N   LIG    1       -5.118  -2.875  -0.622  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 5