REMARK  Name = BDB042805
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        4.242  -2.005  -1.671  0.00  0.00    -0.290 OA
ATOM      2  C   LIG    1        3.168  -1.457  -1.432  0.00  0.00    +0.185 C 
ATOM      3  C   LIG    1        2.651  -1.464  -0.057  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1        1.455  -0.815   0.232  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        0.919  -0.824   1.527  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1       -0.247  -0.134   1.856  0.00  0.00    -0.339 N 
ATOM      7  H   LIG    1       -0.681  -0.433   2.728  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -1.207   0.156   0.777  0.00  0.00    +0.089 C 
ATOM      9  C   LIG    1       -0.498   0.698  -0.484  0.00  0.00    +0.091 C 
ATOM     10  C   LIG    1        1.659  -1.441   2.542  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        2.858  -2.086   2.249  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1        3.537  -2.686   3.233  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        0.760  -0.094  -0.842  0.00  0.00    +0.055 C 
ATOM     14  N   LIG    1        1.153  -0.083  -2.066  0.00  0.00    -0.279 NA
ATOM     15  C   LIG    1        3.360  -2.111   0.957  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1        2.346  -0.801  -2.515  0.00  0.00    +0.221 C 
ENDROOT
BRANCH   9  17
ATOM     17  C   LIG    1       -0.237   2.199  -0.372  0.00  0.00    -0.001 A 
ATOM     18  C   LIG    1       -1.233   3.090  -0.803  0.00  0.00    +0.130 A 
ATOM     19  F   LIG    1       -2.385   2.607  -1.291  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -1.072   4.467  -0.720  0.00  0.00    +0.077 A 
ATOM     21  C   LIG    1        0.103   4.970  -0.185  0.00  0.00    +0.126 A 
ATOM     22  F   LIG    1        0.273   6.295  -0.093  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        1.105   4.120   0.270  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        0.935   2.735   0.182  0.00  0.00    +0.010 A 
ENDBRANCH   9  17
BRANCH   8  25
ATOM     25  C   LIG    1       -2.151  -1.048   0.572  0.00  0.00    +0.038 C 
ATOM     26  C   LIG    1       -3.443  -0.696  -0.154  0.00  0.00    +0.165 C 
ATOM     27  O   LIG    1       -3.994  -1.939  -0.617  0.00  0.00    -0.379 OA
ATOM     28  C   LIG    1       -2.975  -2.946  -0.543  0.00  0.00    +0.160 C 
ATOM     29  C   LIG    1       -1.672  -2.226  -0.253  0.00  0.00    +0.035 C 
ENDBRANCH   8  25
TORSDOF 2