REMARK  Name = BDB006801
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.362  -0.409   0.946  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1        2.948  -0.219   1.748  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        2.868  -0.201  -0.321  0.00  0.00    +0.244 C 
ATOM      4  O   LIG    1        2.172  -0.158  -1.329  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        4.337   0.017  -0.419  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        4.822   0.795  -1.477  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        6.192   1.017  -1.598  0.00  0.00    +0.019 A 
ATOM      8 BR   LIG    1        6.849   2.078  -3.019  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1        7.085   0.463  -0.682  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        6.605  -0.328   0.363  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        5.233  -0.555   0.495  0.00  0.00    +0.013 A 
ENDBRANCH   3   5
BRANCH   1  12
ATOM     12  C   LIG    1        0.935  -0.531   1.172  0.00  0.00    +0.104 C 
BRANCH  12  13
ATOM     13  C   LIG    1        0.268   0.840   1.278  0.00  0.00    +0.020 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.228   0.758   1.590  0.00  0.00    +0.017 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.053   0.192   0.428  0.00  0.00    +0.081 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -3.470   0.221   0.792  0.00  0.00    -0.311 NA
ATOM     17  H   LIG    1       -3.606  -0.295   1.661  0.00  0.00    +0.122 HD
BRANCH  16  19
ATOM     18  C   LIG    1       -4.310   0.504  -1.545  0.00  0.00    +0.027 C 
ATOM     19  C   LIG    1       -4.411  -0.280  -0.227  0.00  0.00    +0.011 C 
ATOM     20  C   LIG    1       -4.215  -1.782  -0.494  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1       -5.822  -0.069   0.355  0.00  0.00    +0.027 C 
ENDBRANCH  16  19
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 7