REMARK  Name = BDB021399
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.117   0.862   0.062  0.00  0.00    +0.141 C 
ENDROOT
BRANCH   1  12
ATOM      2  C   LIG    1       -4.255  -0.228  -2.493  0.00  0.00    +0.017 C 
ATOM      3  C   LIG    1       -3.686   0.309  -1.162  0.00  0.00    +0.007 C 
ATOM      4  C   LIG    1       -4.263  -0.394   0.065  0.00  0.00    -0.027 A 
ATOM      5  C   LIG    1       -3.466  -0.546   1.220  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -3.985  -1.164   2.368  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -5.297  -1.636   2.384  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1       -6.093  -1.478   1.254  0.00  0.00    +0.018 A 
ATOM      9 BR   LIG    1       -7.879  -2.100   1.275  0.00  0.00    -0.050 Br
ATOM     10  C   LIG    1       -2.068  -0.029   1.271  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1       -1.463   0.006   2.337  0.00  0.00    -0.270 OA
ATOM     12  N   LIG    1       -1.511   0.399   0.072  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1       -5.590  -0.859   0.107  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -2.157   0.075  -1.194  0.00  0.00    +0.119 C 
ATOM     15  C   LIG    1       -3.994   1.816  -1.068  0.00  0.00    +0.017 C 
ENDBRANCH   1  12
BRANCH   1  16
ATOM     16  C   LIG    1        0.929  -0.263   0.210  0.00  0.00    +0.149 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.385   0.261   0.032  0.00  0.00    +0.088 C 
ATOM     18  N   LIG    1        2.773   1.240   1.067  0.00  0.00    -0.307 NA
ATOM     19  H   LIG    1        2.095   1.994   1.137  0.00  0.00    +0.123 HD
ATOM     20  C   LIG    1        4.082   1.829   0.760  0.00  0.00    +0.117 C 
ATOM     21  C   LIG    1        5.157   0.813   0.462  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        4.822  -0.495   0.077  0.00  0.00    -0.041 A 
ATOM     23  C   LIG    1        5.837  -1.415  -0.223  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        7.176  -1.029  -0.166  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.511   0.273   0.196  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.507   1.191   0.506  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        3.376  -0.928   0.047  0.00  0.00    +0.056 C 
ENDBRANCH  16  17
BRANCH  16  28
ATOM     28  O   LIG    1        0.670  -1.269  -0.783  0.00  0.00    -0.389 OA
ATOM     29  H   LIG    1       -0.102  -1.762  -0.451  0.00  0.00    +0.210 HD
ENDBRANCH  16  28
ENDBRANCH   1  16
TORSDOF 4