REMARK  Name = BDB046556
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.045   1.086  -1.215  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -1.483   0.112  -0.362  0.00  0.00    +0.101 A 
ATOM      3  N   LIG    1       -0.131  -0.028  -0.232  0.00  0.00    -0.209 NA
ATOM      4  C   LIG    1        0.632   0.790  -0.986  0.00  0.00    +0.234 A 
ATOM      5  C   LIG    1        0.082   1.726  -1.843  0.00  0.00    +0.178 A 
ATOM      6  N   LIG    1       -1.255   1.894  -1.979  0.00  0.00    -0.248 NA
ENDROOT
BRANCH   1  11
ATOM      7 BR   LIG    1       -8.089   2.189  -1.901  0.00  0.00    -0.050 Br
ATOM      8  C   LIG    1       -6.241   1.859  -1.686  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1       -5.442   1.638  -2.804  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1       -4.076   1.392  -2.640  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -3.488   1.352  -1.362  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -4.316   1.599  -0.252  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -5.684   1.844  -0.410  0.00  0.00    +0.016 A 
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  C   LIG    1       -2.255  -0.853   0.443  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -3.234  -1.684  -0.131  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -3.958  -2.592   0.648  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1       -3.703  -2.689   2.013  0.00  0.00    +0.018 A 
ATOM     18 BR   LIG    1       -4.681  -3.916   3.067  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1       -2.727  -1.893   2.604  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1       -2.006  -0.986   1.822  0.00  0.00    +0.011 A 
ENDBRANCH   2  14
BRANCH   4  21
ATOM     21  O   LIG    1        2.006   0.715  -0.924  0.00  0.00    -0.475 OA
BRANCH  21  22
ATOM     22  C   LIG    1        2.478  -0.308  -0.042  0.00  0.00    +0.234 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.012  -0.302  -0.059  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1        4.585   1.060   0.388  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1        5.909   0.933   1.147  0.00  0.00    +0.081 C 
ATOM     26  N   LIG    1        6.731  -0.129   0.586  0.00  0.00    -0.316 NA
ATOM     27  H   LIG    1        7.656  -0.129   1.014  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1        6.117  -1.449   0.737  0.00  0.00    +0.081 C 
ATOM     29  C   LIG    1        4.585  -1.429   0.801  0.00  0.00    +0.022 C 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 5