REMARK  Name = BDB052747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1 BR   LIG    1        6.749  -3.951   0.964  0.00  0.00    -0.029 Br
ATOM      2  C   LIG    1        4.880  -3.660   0.841  0.00  0.00    +0.110 A 
ATOM      3  N   LIG    1        4.221  -2.480   0.634  0.00  0.00    -0.289 N 
ATOM      4  C   LIG    1        2.886  -2.782   0.623  0.00  0.00    +0.179 A 
ATOM      5  C   LIG    1        1.905  -1.722   0.428  0.00  0.00    +0.167 A 
ATOM      6  N   LIG    1        2.346  -0.497   0.266  0.00  0.00    -0.227 NA
ATOM      7  C   LIG    1        3.708  -0.225   0.269  0.00  0.00    +0.091 A 
ATOM      8  N   LIG    1        2.647  -4.066   0.806  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1        4.643  -1.179   0.457  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1        3.899  -4.622   0.943  0.00  0.00    +0.147 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        4.113   1.187   0.089  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        3.349   2.216   0.641  0.00  0.00    +0.120 A 
ATOM     13  N   LIG    1        3.634   3.538   0.528  0.00  0.00    -0.263 NA
ATOM     14  C   LIG    1        4.730   3.860  -0.188  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        5.551   2.924  -0.795  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        5.234   1.573  -0.655  0.00  0.00    +0.013 A 
ENDBRANCH   7  11
BRANCH   5  17
ATOM     17  N   LIG    1        0.570  -2.074   0.437  0.00  0.00    -0.296 N 
ATOM     18  H   LIG    1        0.410  -3.066   0.587  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -0.585  -1.314   0.209  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1       -1.832  -1.926   0.383  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -3.032  -1.221   0.193  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -3.049   0.130  -0.174  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -1.796   0.732  -0.342  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1       -0.592   0.030  -0.152  0.00  0.00    +0.025 A 
BRANCH  22  25
ATOM     25  N   LIG    1       -4.230   0.822  -0.364  0.00  0.00    -0.326 N 
ATOM     26  C   LIG    1       -5.501   0.374   0.226  0.00  0.00    +0.133 C 
ATOM     27  C   LIG    1       -6.415   1.582   0.498  0.00  0.00    +0.178 C 
ATOM     28  O   LIG    1       -6.728   2.353  -0.670  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1       -5.690   2.327  -1.660  0.00  0.00    +0.178 C 
ATOM     30  C   LIG    1       -4.280   2.102  -1.089  0.00  0.00    +0.133 C 
ENDBRANCH  22  25
ENDBRANCH  17  19
ENDBRANCH   5  17
TORSDOF 4