REMARK  Name = BDB013159
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.938   0.386  -0.242  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        2.142   1.276  -1.006  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.800   0.995  -1.094  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.267   2.005  -1.841  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.217   2.829  -2.221  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.204  -0.125  -0.494  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.951  -0.945   0.197  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.404   2.369  -1.693  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.300  -0.670   0.305  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  F   LIG    1        8.495   0.909   0.336  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        7.167   0.790   0.213  0.00  0.00    +0.125 A 
ATOM     12  C   LIG    1        6.355   1.034   1.313  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1        4.970   0.910   1.186  0.00  0.00    +0.052 A 
ATOM     14 CL   LIG    1        4.008   1.250   2.583  0.00  0.00    -0.083 Cl
ATOM     15  C   LIG    1        4.394   0.535  -0.043  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        5.240   0.303  -1.143  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        6.624   0.428  -1.013  0.00  0.00    +0.039 A 
ENDBRANCH   1  15
BRANCH   6  18
ATOM     18  N   LIG    1       -1.151  -0.325  -0.651  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -1.599   0.086  -1.462  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.777  -1.568  -0.233  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.269  -1.404  -0.252  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -3.945  -0.643   0.698  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.418   0.161   1.829  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -4.729   0.439   2.564  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -5.829   0.314   1.633  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.323  -0.480   0.637  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.089  -1.054  -0.356  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -5.436  -1.827  -1.316  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -4.045  -1.994  -1.257  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -3.450  -2.726  -2.210  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4