REMARK  Name = BDB006943
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.063  -0.061   0.486  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        1.324  -0.099   0.520  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        2.301  -0.366  -0.461  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        3.578  -0.314   0.118  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1        4.732  -0.550  -0.625  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        4.604  -0.832  -1.982  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        3.334  -0.871  -2.566  0.00  0.00    +0.020 A 
ATOM      8 BR   LIG    1        3.181  -1.245  -4.416  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1        3.507   0.001   1.598  0.00  0.00    +0.107 C 
ATOM     10  C   LIG    1        3.979  -1.206   2.417  0.00  0.00    +0.029 C 
ATOM     11  C   LIG    1        2.176  -0.638  -1.814  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        2.002   0.249   1.783  0.00  0.00    +0.136 C 
ATOM     13  O   LIG    1       -0.683   0.306   1.493  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   9  14
ATOM     14  C   LIG    1        4.260   1.260   2.009  0.00  0.00    +0.319 C 
ATOM     15  O   LIG    1        4.855   1.387   3.073  0.00  0.00    -0.250 OA
BRANCH  14  16
ATOM     16  O   LIG    1        4.159   2.244   1.071  0.00  0.00    -0.467 OA
ATOM     17  C   LIG    1        4.827   3.459   1.413  0.00  0.00    +0.280 C 
ENDBRANCH  14  16
ENDBRANCH   9  14
BRANCH   1  18
ATOM     18  C   LIG    1       -0.787  -0.493  -0.796  0.00  0.00    +0.181 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.951   0.678  -0.478  0.00  0.00    +0.097 C 
ATOM     20  N   LIG    1       -2.252  -0.617  -0.690  0.00  0.00    -0.286 NA
ATOM     21  C   LIG    1       -2.708  -1.683   0.206  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1       -4.261  -1.765   0.248  0.00  0.00    +0.065 C 
ATOM     23  C   LIG    1       -4.709  -2.874   1.202  0.00  0.00    +0.025 C 
ATOM     24  N   LIG    1       -4.944  -0.498   0.593  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1       -5.423  -0.583   1.488  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -3.994   0.622   0.671  0.00  0.00    +0.102 C 
BRANCH  19  27
ATOM     27  C   LIG    1       -3.637   1.098  -1.800  0.00  0.00    +0.179 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -3.235   1.815  -4.011  0.00  0.00    +0.194 C 
ATOM     29  O   LIG    1       -2.646   1.512  -2.754  0.00  0.00    -0.381 OA
ENDBRANCH  27  29
ENDBRANCH  19  27
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6