REMARK  Name = BDB053216
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.875  -2.233  -0.107  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        2.625  -1.033  -0.184  0.00  0.00    +0.248 C 
ATOM      3  N   LIG    1        1.407  -0.522  -0.627  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        0.984   0.872  -0.468  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1       -0.537   1.040  -0.493  0.00  0.00    +0.038 C 
ATOM      6  C   LIG    1       -1.203  -0.075   0.330  0.00  0.00    +0.060 C 
ATOM      7  C   LIG    1       -0.831  -1.474  -0.216  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.398  -1.446  -1.125  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1        3.686  -0.100   0.232  0.00  0.00    +0.056 A 
ATOM     10  C   LIG    1        4.170   0.899  -0.613  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1        5.190   1.724  -0.153  0.00  0.00    +0.037 A 
ATOM     12 BR   LIG    1        5.872   3.100  -1.246  0.00  0.00    -0.049 Br
ATOM     13  C   LIG    1        5.697   1.514   1.123  0.00  0.00    +0.126 A 
ATOM     14  N   LIG    1        5.259   0.537   1.954  0.00  0.00    -0.261 NA
ATOM     15  C   LIG    1        4.271  -0.262   1.481  0.00  0.00    +0.123 A 
ENDBRANCH   2   9
BRANCH   6  16
ATOM     16  N   LIG    1       -2.637   0.175   0.520  0.00  0.00    -0.299 NA
ATOM     17  C   LIG    1       -3.455   0.257  -0.688  0.00  0.00    +0.085 C 
ATOM     18  C   LIG    1       -4.887   0.081  -0.189  0.00  0.00    +0.017 C 
ATOM     19  C   LIG    1       -4.761  -0.351   1.266  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1       -3.309  -0.769   1.410  0.00  0.00    +0.085 C 
ENDBRANCH   6  16
TORSDOF 2