REMARK  Name = BDB050726
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.248   0.050  -0.024  0.00  0.00    +0.075 A 
ATOM      2  C   LIG    1       -0.059   1.220  -0.751  0.00  0.00    +0.170 A 
ATOM      3  F   LIG    1        1.010   2.002  -0.537  0.00  0.00    -0.202 F 
ATOM      4  C   LIG    1       -0.986   1.580  -1.720  0.00  0.00    +0.159 A 
ATOM      5  F   LIG    1       -0.798   2.691  -2.445  0.00  0.00    -0.202 F 
ATOM      6  C   LIG    1       -2.118   0.800  -1.954  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1       -2.346  -0.359  -1.197  0.00  0.00    -0.038 A 
ATOM      8  C   LIG    1       -1.394  -0.733  -0.236  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  10
ATOM      9  O   LIG    1        0.179  -0.597   2.146  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        0.680  -0.344   1.051  0.00  0.00    +0.250 C 
ATOM     11  N   LIG    1        2.046  -0.417   0.797  0.00  0.00    -0.294 N 
ATOM     12  C   LIG    1        2.619  -0.681  -0.531  0.00  0.00    +0.127 C 
ATOM     13  C   LIG    1        4.038  -0.106  -0.684  0.00  0.00    +0.127 C 
ATOM     14  N   LIG    1        4.897  -0.537   0.431  0.00  0.00    -0.297 N 
ATOM     15  C   LIG    1        4.347  -0.260   1.770  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        2.919  -0.816   1.907  0.00  0.00    +0.127 C 
BRANCH  14  17
ATOM     17  C   LIG    1        6.235  -0.160   0.286  0.00  0.00    +0.219 A 
ATOM     18  N   LIG    1        7.006  -0.071   1.378  0.00  0.00    -0.207 NA
ATOM     19  C   LIG    1        8.297   0.262   1.205  0.00  0.00    +0.111 A 
ATOM     20 BR   LIG    1        9.379   0.391   2.759  0.00  0.00    -0.029 Br
ATOM     21  C   LIG    1        8.868   0.512  -0.016  0.00  0.00    +0.055 A 
ATOM     22  C   LIG    1        8.014   0.396  -1.077  0.00  0.00    +0.117 A 
ATOM     23  N   LIG    1        6.717   0.066  -0.949  0.00  0.00    -0.223 NA
ENDBRANCH  14  17
ENDBRANCH   1  10
BRANCH   7  24
ATOM     24  C   LIG    1       -3.576  -1.210  -1.426  0.00  0.00    +0.093 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.875  -0.416  -1.387  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1       -5.466  -0.014  -0.084  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -6.649   0.723  -0.124  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1       -7.269   1.145   1.059  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1       -6.699   0.828   2.290  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -5.517   0.091   2.338  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -7.245   1.056  -1.428  0.00  0.00    +0.272 A 
ATOM     32  O   LIG    1       -8.286   1.698  -1.511  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -6.567   0.606  -2.534  0.00  0.00    -0.242 N 
ATOM     34  H   LIG    1       -6.966   0.827  -3.442  0.00  0.00    +0.192 HD
ATOM     35  C   LIG    1       -4.900  -0.332   1.156  0.00  0.00    +0.010 A 
ATOM     36  N   LIG    1       -5.412  -0.110  -2.532  0.00  0.00    -0.175 NA
ENDBRANCH  24  25
ENDBRANCH   7  24
TORSDOF 4