REMARK  Name = BDB058093
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.380   0.697  -0.430  0.00  0.00    +0.132 C 
ATOM      2  C   LIG    1       -0.942   0.023  -0.926  0.00  0.00    +0.060 C 
ATOM      3  C   LIG    1       -1.884  -0.554   0.157  0.00  0.00    +0.032 C 
ATOM      4  C   LIG    1       -1.373  -1.834   0.831  0.00  0.00    +0.019 C 
ATOM      5  C   LIG    1       -3.236  -0.878  -0.511  0.00  0.00    +0.019 C 
ATOM      6  C   LIG    1       -2.092   0.492   1.251  0.00  0.00    +0.179 C 
ATOM      7  O   LIG    1       -3.182   0.670   1.791  0.00  0.00    -0.291 OA
ATOM      8  C   LIG    1       -0.905   1.264   1.706  0.00  0.00    +0.094 C 
ATOM      9  C   LIG    1        0.199   1.321   0.941  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        1.577  -0.292  -0.422  0.00  0.00    +0.091 A 
ATOM     11  C   LIG    1        2.925   0.102  -0.334  0.00  0.00    +0.042 A 
ATOM     12 BR   LIG    1        3.544   1.894  -0.200  0.00  0.00    -0.048 Br
ATOM     13  C   LIG    1        3.925  -0.880  -0.336  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        3.585  -2.222  -0.422  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1        2.248  -2.541  -0.501  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1        1.260  -1.619  -0.497  0.00  0.00    -0.256 NA
ENDBRANCH   1  10
BRANCH   1  18
ATOM     17  C   LIG    1        0.037   2.949  -1.363  0.00  0.00    +0.195 C 
ATOM     18  O   LIG    1        0.707   1.696  -1.425  0.00  0.00    -0.366 OA
ENDBRANCH   1  18
BRANCH   8  19
ATOM     19  C   LIG    1       -0.967   1.948   2.952  0.00  0.00    +0.102 C 
ATOM     20  N   LIG    1       -0.949   2.524   3.959  0.00  0.00    -0.191 NA
ENDBRANCH   8  19
TORSDOF 3