REMARK  Name = BDB063580
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.086   0.903   2.280  0.00  0.00    +0.153 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -3.233  -0.272  -0.472  0.00  0.00    +0.150 A 
ATOM      3  C   LIG    1       -2.317  -1.215   0.017  0.00  0.00    +0.061 A 
ATOM      4 BR   LIG    1       -2.337  -3.029  -0.542  0.00  0.00    -0.046 Br
ATOM      5  C   LIG    1       -1.316  -0.840   0.922  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -1.191   0.491   1.334  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -2.059   1.447   0.793  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -3.061   1.073  -0.114  0.00  0.00    +0.061 A 
ATOM      9 BR   LIG    1       -4.107   2.476  -0.848  0.00  0.00    -0.046 Br
BRANCH   2  10
ATOM     10  O   LIG    1       -4.185  -0.662  -1.373  0.00  0.00    -0.473 OA
BRANCH  10  12
ATOM     11  C   LIG    1       -5.878  -2.350  -1.246  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -5.543  -0.887  -0.914  0.00  0.00    +0.200 C 
ATOM     13  C   LIG    1       -5.798  -0.640   0.585  0.00  0.00    +0.067 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -6.480  -0.022  -1.800  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -6.127   0.590  -2.800  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -7.786  -0.019  -1.430  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -8.022  -0.576  -0.667  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2  10
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  N   LIG    1        1.122   1.243   1.565  0.00  0.00    -0.220 N 
ATOM     19  C   LIG    1        2.107   0.347   1.243  0.00  0.00    +0.316 C 
ATOM     20  O   LIG    1        2.079  -0.834   1.559  0.00  0.00    -0.252 OA
ATOM     21  N   LIG    1        3.099   1.031   0.522  0.00  0.00    -0.246 N 
ATOM     22  C   LIG    1        2.738   2.424   0.367  0.00  0.00    +0.211 C 
ATOM     23  C   LIG    1        1.415   2.484   1.092  0.00  0.00    +0.241 C 
ATOM     24  O   LIG    1        0.736   3.493   1.223  0.00  0.00    -0.273 OA
BRANCH  21  25
ATOM     25  C   LIG    1        4.300   0.494  -0.014  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        5.194   1.316  -0.719  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1        6.386   0.809  -1.255  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        6.722  -0.540  -1.096  0.00  0.00    +0.055 A 
ATOM     29  C   LIG    1        5.833  -1.368  -0.404  0.00  0.00    +0.014 A 
ATOM     30  C   LIG    1        4.642  -0.856   0.131  0.00  0.00    +0.024 A 
BRANCH  28  31
ATOM     31  C   LIG    1        7.993  -1.095  -1.690  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1        9.004  -0.181  -1.730  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        7.822  -1.519  -2.973  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        8.486  -2.163  -1.004  0.00  0.00    -0.166 F 
ENDBRANCH  28  31
ENDBRANCH  21  25
ENDBRANCH   1  18
TORSDOF 8