REMARK  Name = BDB006793
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.636   0.997   0.128  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1        1.937   0.920   1.089  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        2.388   0.392  -0.859  0.00  0.00    +0.244 C 
ATOM      4  O   LIG    1        1.990   0.216  -2.005  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.737  -0.092  -0.458  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        4.277  -1.191  -1.138  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        5.538  -1.667  -0.787  0.00  0.00    +0.019 A 
ATOM      8 BR   LIG    1        6.264  -3.158  -1.696  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1        6.272  -1.054   0.228  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        5.744   0.052   0.895  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        4.479   0.537   0.552  0.00  0.00    +0.013 A 
ENDBRANCH   3   5
BRANCH   1  12
ATOM     12  C   LIG    1        0.267   1.406  -0.117  0.00  0.00    +0.106 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -0.715   0.259   0.111  0.00  0.00    +0.034 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.153   0.713  -0.143  0.00  0.00    +0.082 C 
BRANCH  14  15
ATOM     15  N   LIG    1       -3.072  -0.393   0.117  0.00  0.00    -0.314 NA
ATOM     16  H   LIG    1       -3.000  -0.693   1.089  0.00  0.00    +0.122 HD
BRANCH  15  18
ATOM     17  C   LIG    1       -5.104   0.886   0.781  0.00  0.00    +0.023 C 
ATOM     18  C   LIG    1       -4.466  -0.083  -0.215  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1       -5.246  -1.399  -0.230  0.00  0.00    +0.023 C 
ENDBRANCH  15  18
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 6