REMARK  Name = BDB004145
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.800   1.225  -0.310  0.00  0.00    +0.000 C 
ATOM      2  C   LIG    1        2.069   0.591   0.342  0.00  0.00    +0.000 C 
ATOM      3  C   LIG    1        2.118   1.106   1.799  0.00  0.00    +0.000 C 
ATOM      4  C   LIG    1        1.474   2.454   1.653  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1        1.502   3.531   2.526  0.00  0.00    +0.000 A 
ATOM      6 BR   LIG    1        2.455   3.462   4.156  0.00  0.00    +0.000 Br
ATOM      7  C   LIG    1        0.803   4.692   2.189  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        0.075   4.762   0.992  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        0.033   3.671   0.122  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        0.734   2.522   0.461  0.00  0.00    +0.000 A 
ENDROOT
BRANCH   2  11
ATOM     11  N   LIG    1        2.217  -0.861   0.153  0.00  0.00    +0.000 N 
ATOM     12  C   LIG    1        2.740  -1.295  -1.050  0.00  0.00    +0.000 C 
ATOM     13  O   LIG    1        3.081  -0.533  -1.953  0.00  0.00    +0.000 OA
ATOM     14  N   LIG    1        2.877  -2.644  -1.220  0.00  0.00    +0.000 N 
ATOM     15  H   LIG    1        3.227  -2.793  -2.159  0.00  0.00    +0.000 HD
ATOM     16  C   LIG    1        3.657  -3.389  -0.381  0.00  0.00    +0.000 C 
ATOM     17  O   LIG    1        4.571  -4.085  -0.817  0.00  0.00    +0.000 OA
ATOM     18  C   LIG    1        3.383  -3.375   1.079  0.00  0.00    +0.000 C 
ATOM     19  C   LIG    1        2.397  -2.688   1.675  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1        1.443  -1.784   0.969  0.00  0.00    +0.000 C 
ENDBRANCH   2  11
BRANCH   1  21
ATOM     21  O   LIG    1       -0.372   0.466  -0.015  0.00  0.00    +0.000 OA
BRANCH  21  22
ATOM     22 SI   LIG    1       -1.433   0.048  -1.245  0.00  0.00    +0.000 Si
ATOM     23  C   LIG    1       -2.127   1.537  -2.146  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -0.664  -1.147  -2.469  0.00  0.00    +0.000 C 
BRANCH  22  26
ATOM     25  C   LIG    1       -4.037  -1.374  -1.451  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -3.042  -0.935  -0.360  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1       -2.509  -2.167   0.400  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -3.725   0.034   0.626  0.00  0.00    +0.000 C 
ENDBRANCH  22  26
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 4