REMARK  Name = BDB042735
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        4.513  -1.676  -1.771  0.00  0.00    -0.290 OA
ATOM      2  C   LIG    1        3.386  -1.228  -1.567  0.00  0.00    +0.185 C 
ATOM      3  C   LIG    1        2.795  -1.358  -0.228  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1        1.556  -0.784   0.030  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        0.944  -0.910   1.287  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1       -0.278  -0.299   1.582  0.00  0.00    -0.339 N 
ATOM      7  H   LIG    1       -0.757  -0.685   2.394  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -1.162   0.007   0.444  0.00  0.00    +0.089 C 
ATOM      9  C   LIG    1       -0.379   0.754  -0.664  0.00  0.00    +0.091 C 
ATOM     10  C   LIG    1        1.649  -1.565   2.301  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        2.894  -2.132   2.039  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1        3.543  -2.771   3.020  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        0.898  -0.002  -1.026  0.00  0.00    +0.055 C 
ATOM     14  N   LIG    1        1.346   0.096  -2.227  0.00  0.00    -0.279 NA
ATOM     15  C   LIG    1        3.473  -2.044   0.781  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1        2.567  -0.588  -2.661  0.00  0.00    +0.221 C 
ENDROOT
BRANCH   9  17
ATOM     17  C   LIG    1       -0.151   2.222  -0.313  0.00  0.00    -0.001 A 
ATOM     18  C   LIG    1       -1.225   3.115  -0.468  0.00  0.00    +0.130 A 
ATOM     19  F   LIG    1       -2.405   2.655  -0.910  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -1.109   4.466  -0.164  0.00  0.00    +0.077 A 
ATOM     21  C   LIG    1        0.103   4.940   0.311  0.00  0.00    +0.126 A 
ATOM     22  F   LIG    1        0.231   6.239   0.612  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        1.186   4.087   0.486  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        1.062   2.729   0.178  0.00  0.00    +0.010 A 
ENDBRANCH   9  17
BRANCH   8  25
ATOM     25  C   LIG    1       -1.860  -1.274  -0.060  0.00  0.00    +0.038 C 
ATOM     26  C   LIG    1       -2.905  -1.026  -1.141  0.00  0.00    +0.165 C 
ATOM     27  O   LIG    1       -3.826  -2.124  -1.084  0.00  0.00    -0.379 OA
ATOM     28  C   LIG    1       -3.603  -2.848   0.132  0.00  0.00    +0.160 C 
ATOM     29  C   LIG    1       -2.697  -1.989   0.987  0.00  0.00    +0.035 C 
ENDBRANCH   8  25
TORSDOF 2