REMARK  Name = BDB062555
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.104  -2.041  -1.078  0.00  0.00    -0.144 OA
ATOM      2  N   LIG    1       -0.380  -0.952  -0.511  0.00  0.00    -0.042 N 
ATOM      3  N   LIG    1       -1.771  -0.534  -0.292  0.00  0.00    -0.204 N 
ATOM      4  C   LIG    1       -1.744   0.707   0.354  0.00  0.00    +0.158 A 
ATOM      5  C   LIG    1       -2.997   1.299   0.663  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -4.135   0.657   0.330  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -4.120  -0.637  -0.343  0.00  0.00    +0.020 A 
ATOM      8  N   LIG    1       -0.482   1.096   0.555  0.00  0.00    -0.205 NA
ATOM      9  C   LIG    1       -2.939  -1.205  -0.640  0.00  0.00    +0.116 A 
ATOM     10  C   LIG    1        0.346   0.067   0.019  0.00  0.00    +0.204 A 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1        1.795   0.149   0.060  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1        2.404   1.262   0.639  0.00  0.00    +0.123 A 
ATOM     13  N   LIG    1        3.744   1.450   0.736  0.00  0.00    -0.248 NA
ATOM     14  C   LIG    1        4.532   0.480   0.230  0.00  0.00    +0.106 A 
ATOM     15 BR   LIG    1        6.409   0.712   0.349  0.00  0.00    -0.029 Br
ATOM     16  C   LIG    1        4.033  -0.668  -0.367  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1        2.648  -0.832  -0.451  0.00  0.00    +0.016 A 
ENDBRANCH  10  11
TORSDOF 1