REMARK  Name = BDB050728
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.735   1.151  -0.453  0.00  0.00    +0.075 A 
ATOM      2  C   LIG    1       -1.085   1.757  -1.652  0.00  0.00    +0.170 A 
ATOM      3  F   LIG    1       -0.529   2.918  -2.026  0.00  0.00    -0.202 F 
ATOM      4  C   LIG    1       -2.017   1.143  -2.478  0.00  0.00    +0.159 A 
ATOM      5  F   LIG    1       -2.343   1.702  -3.651  0.00  0.00    -0.202 F 
ATOM      6  C   LIG    1       -2.625  -0.055  -2.104  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1       -2.315  -0.653  -0.873  0.00  0.00    -0.038 A 
ATOM      8  C   LIG    1       -1.352  -0.044  -0.053  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  13
ATOM      9  N   LIG    1        4.510   1.540  -0.157  0.00  0.00    -0.299 NA
ATOM     10  C   LIG    1        3.793   1.659   1.134  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1        2.497   2.486   1.059  0.00  0.00    +0.123 C 
ATOM     12  N   LIG    1        1.549   1.895   0.109  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        0.213   1.791   0.470  0.00  0.00    +0.250 C 
ATOM     14  O   LIG    1       -0.239   2.154   1.554  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        2.150   1.280  -1.082  0.00  0.00    +0.123 C 
ATOM     16  C   LIG    1        3.606   1.726  -1.311  0.00  0.00    +0.103 C 
BRANCH   9  17
ATOM     17  C   LIG    1        5.277   0.289  -0.257  0.00  0.00    +0.084 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.380   0.186   0.807  0.00  0.00    +0.015 C 
BRANCH  18  20
ATOM     19  C   LIG    1        6.598  -2.357   0.776  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1        7.301  -1.019   0.603  0.00  0.00    -0.002 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   9  17
ENDBRANCH   1  13
BRANCH   7  21
ATOM     21  C   LIG    1       -2.974  -1.945  -0.443  0.00  0.00    +0.093 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.493  -1.921  -0.563  0.00  0.00    +0.074 A 
ATOM     23  C   LIG    1       -5.312  -1.214   0.455  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1       -6.694  -1.223   0.275  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1       -7.538  -0.577   1.186  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1       -6.993   0.085   2.285  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -5.612   0.099   2.471  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -7.263  -1.922  -0.888  0.00  0.00    +0.272 A 
ATOM     29  O   LIG    1       -8.473  -1.962  -1.084  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -6.362  -2.523  -1.732  0.00  0.00    -0.242 N 
ATOM     31  H   LIG    1       -6.738  -3.010  -2.540  0.00  0.00    +0.192 HD
ATOM     32  C   LIG    1       -4.770  -0.550   1.562  0.00  0.00    +0.010 A 
ATOM     33  N   LIG    1       -5.010  -2.531  -1.589  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 6