REMARK  Name = BDB007086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.552  -0.234   1.021  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.217  -0.068  -0.331  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.084  -0.394  -0.767  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1        1.726  -0.351  -2.034  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        3.016  -0.794  -1.864  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1        3.195  -1.084  -0.533  0.00  0.00    -0.342 N 
ATOM      7  C   LIG    1        2.020  -0.863   0.162  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        1.699  -1.020   1.520  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        0.403  -0.694   1.932  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  12
ATOM     10  N   LIG    1       -2.950  -0.050   0.640  0.00  0.00    -0.305 N 
ATOM     11  H   LIG    1       -2.786  -0.509  -0.244  0.00  0.00    +0.150 HD
ATOM     12  C   LIG    1       -1.912   0.092   1.533  0.00  0.00    +0.245 C 
ATOM     13  O   LIG    1       -2.065   0.437   2.700  0.00  0.00    -0.270 OA
BRANCH  10  15
ATOM     14  C   LIG    1       -4.880  -1.017   1.829  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -4.332   0.171   1.032  0.00  0.00    +0.100 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -5.152   0.495  -0.206  0.00  0.00    -0.027 A 
ATOM     17  C   LIG    1       -5.420   1.838  -0.520  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1       -6.147   2.176  -1.664  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1       -6.604   1.171  -2.512  0.00  0.00    +0.018 A 
ATOM     20 BR   LIG    1       -7.586   1.625  -4.063  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1       -6.337  -0.166  -2.229  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1       -5.610  -0.502  -1.084  0.00  0.00    +0.006 A 
ENDBRANCH  15  16
ENDBRANCH  10  15
ENDBRANCH   1  12
BRANCH   6  23
ATOM     23  C   LIG    1        4.446  -1.583   0.028  0.00  0.00    +0.159 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.445  -0.473   0.222  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        6.512  -0.322  -0.672  0.00  0.00    +0.131 A 
ATOM     26  F   LIG    1        6.647  -1.178  -1.696  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1        7.444   0.698  -0.528  0.00  0.00    +0.077 A 
ATOM     28  C   LIG    1        7.306   1.587   0.527  0.00  0.00    +0.126 A 
ATOM     29  F   LIG    1        8.197   2.575   0.678  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        6.255   1.470   1.432  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        5.323   0.441   1.281  0.00  0.00    +0.011 A 
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 5