REMARK  Name = BDB006796
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.076   0.385  -1.494  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        2.437  -0.147  -0.450  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        1.728  -1.152   0.177  0.00  0.00    -0.311 N 
ATOM      4  H   LIG    1        1.953  -1.390   1.134  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        3.679   0.311   0.230  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        4.438  -0.542   1.040  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        5.596  -0.059   1.650  0.00  0.00    +0.019 A 
ATOM      8 BR   LIG    1        6.622  -1.209   2.746  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1        6.009   1.258   1.457  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        5.263   2.104   0.637  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        4.103   1.631   0.021  0.00  0.00    +0.013 A 
ENDBRANCH   2   5
BRANCH   3  12
ATOM     12  C   LIG    1        0.451  -1.603  -0.339  0.00  0.00    +0.106 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -0.694  -0.707   0.126  0.00  0.00    +0.034 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.029  -1.187  -0.452  0.00  0.00    +0.086 C 
BRANCH  14  15
ATOM     15  N   LIG    1       -3.167  -0.431   0.078  0.00  0.00    -0.302 NA
ATOM     16  C   LIG    1       -4.446  -0.975  -0.384  0.00  0.00    +0.084 C 
ATOM     17  C   LIG    1       -5.432   0.123  -0.021  0.00  0.00    +0.017 C 
ATOM     18  C   LIG    1       -4.619   1.411  -0.068  0.00  0.00    +0.017 C 
ATOM     19  C   LIG    1       -3.186   0.973  -0.344  0.00  0.00    +0.084 C 
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   3  12
TORSDOF 5