REMARK  Name = BDB055889
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.932   1.668  -3.243  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -0.983   1.141  -2.275  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -1.419   0.027  -1.416  0.00  0.00    +0.139 C 
ATOM      4  C   LIG    1       -0.194  -0.691  -0.781  0.00  0.00    +0.174 C 
ATOM      5  O   LIG    1        0.606   0.248  -0.052  0.00  0.00    -0.357 OA
ATOM      6  C   LIG    1        1.093   1.310  -0.873  0.00  0.00    +0.209 C 
ATOM      7  C   LIG    1        0.141   1.893  -1.953  0.00  0.00    +0.245 C 
ATOM      8  O   LIG    1        0.413   2.952  -2.521  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1       -2.490   0.463  -0.417  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1       -2.296   1.529   0.476  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -3.292   1.893   1.387  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -4.494   1.192   1.414  0.00  0.00    +0.018 A 
ATOM     13 BR   LIG    1       -5.839   1.680   2.648  0.00  0.00    -0.050 Br
ATOM     14  C   LIG    1       -4.710   0.131   0.539  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -3.713  -0.230  -0.371  0.00  0.00    +0.006 A 
ENDBRANCH   3   9
BRANCH   4  16
ATOM     16  C   LIG    1       -0.558  -1.876   0.097  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1       -0.642  -1.759   1.493  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -1.007  -2.853   2.281  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1       -1.290  -4.075   1.677  0.00  0.00    +0.018 A 
ATOM     20 BR   LIG    1       -1.786  -5.556   2.741  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1       -1.212  -4.213   0.293  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1       -0.849  -3.118  -0.494  0.00  0.00    +0.007 A 
ENDBRANCH   4  16
BRANCH   6  23
ATOM     23  C   LIG    1        2.422   0.917  -1.549  0.00  0.00    +0.076 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.573   0.848  -0.569  0.00  0.00    -0.044 A 
ATOM     25  C   LIG    1        3.758  -0.284   0.237  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        4.813  -0.339   1.150  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1        5.687   0.739   1.262  0.00  0.00    +0.018 A 
ATOM     28 BR   LIG    1        7.115   0.666   2.499  0.00  0.00    -0.050 Br
ATOM     29  C   LIG    1        5.514   1.874   0.472  0.00  0.00    +0.015 A 
ATOM     30  C   LIG    1        4.458   1.929  -0.440  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 4