REMARK  Name = BDB006799
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.247   1.025   0.540  0.00  0.00    -0.307 N 
ATOM      2  H   LIG    1        0.943   0.899  -0.418  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        2.326   0.271   0.955  0.00  0.00    +0.244 C 
ATOM      4  O   LIG    1        2.530  -0.030   2.126  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.240  -0.217  -0.115  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        3.999  -1.367   0.133  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        4.864  -1.848  -0.847  0.00  0.00    +0.019 A 
ATOM      8 BR   LIG    1        5.880  -3.408  -0.518  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1        4.987  -1.190  -2.071  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        4.243  -0.035  -2.315  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        3.373   0.455  -1.339  0.00  0.00    +0.013 A 
ENDBRANCH   3   5
BRANCH   1  14
ATOM     12  N   LIG    1       -1.632   0.414   0.336  0.00  0.00    -0.296 NA
ATOM     13  C   LIG    1       -0.845   0.204   1.563  0.00  0.00    +0.107 C 
ATOM     14  C   LIG    1        0.172   1.347   1.477  0.00  0.00    +0.088 C 
ATOM     15  C   LIG    1       -0.668   2.508   0.953  0.00  0.00    +0.039 C 
ATOM     16  C   LIG    1       -1.875   1.859   0.272  0.00  0.00    +0.087 C 
BRANCH  12  18
ATOM     17  C   LIG    1       -3.509  -0.102  -1.188  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1       -2.801  -0.467   0.137  0.00  0.00    +0.014 C 
ATOM     19  C   LIG    1       -3.838  -0.408   1.277  0.00  0.00    +0.027 C 
ATOM     20  C   LIG    1       -2.311  -1.926  -0.001  0.00  0.00    +0.027 C 
ENDBRANCH  12  18
ENDBRANCH   1  14
TORSDOF 3