REMARK  Name = BDB017215
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.949  -3.471  -0.511  0.00  0.00    -0.292 OA
ATOM      2  C   LIG    1        0.807  -2.285  -0.212  0.00  0.00    +0.167 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        2.023  -1.408  -0.166  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        1.975  -0.049   0.171  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        3.145   0.733   0.200  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        4.389   0.137  -0.115  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        5.556   0.916  -0.086  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1        5.491   2.268   0.249  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        4.272   2.862   0.558  0.00  0.00    +0.016 A 
ATOM     10 BR   LIG    1        7.072   3.304   0.282  0.00  0.00    -0.050 Br
ATOM     11  C   LIG    1        4.431  -1.223  -0.449  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        3.104   2.097   0.534  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        3.261  -1.986  -0.475  0.00  0.00    +0.012 A 
ENDBRANCH   2   3
BRANCH   2  14
ATOM     14  C   LIG    1       -0.568  -1.698   0.094  0.00  0.00    +0.074 C 
ATOM     15  C   LIG    1       -1.111  -0.982  -1.152  0.00  0.00    +0.095 C 
ATOM     16  N   LIG    1       -2.456  -0.408  -0.971  0.00  0.00    -0.301 NA
ATOM     17  C   LIG    1       -3.401  -1.451  -0.545  0.00  0.00    +0.084 C 
ATOM     18  C   LIG    1       -2.958  -2.223   0.701  0.00  0.00    +0.016 C 
ATOM     19  C   LIG    1       -1.553  -2.794   0.530  0.00  0.00    +0.014 C 
BRANCH  16  20
ATOM     20  C   LIG    1       -2.440   0.774  -0.103  0.00  0.00    +0.088 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.703   1.572  -0.264  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -3.656   3.080  -0.308  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -3.991   2.305  -1.551  0.00  0.00    +0.005 C 
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH   2  14
TORSDOF 4