REMARK  Name = BDB059066
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.133   1.839   0.452  0.00  0.00    +0.076 A 
ATOM      2  C   LIG    1       -0.796   0.904  -0.087  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -0.059  -0.270  -0.232  0.00  0.00    +0.165 A 
ATOM      4  N   LIG    1       -0.532  -1.457  -0.671  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -1.839  -1.505  -0.993  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -2.661  -0.389  -0.911  0.00  0.00    +0.039 A 
ATOM      7  N   LIG    1        1.245   0.020   0.159  0.00  0.00    -0.214 N 
ATOM      8  C   LIG    1       -2.153   0.838  -0.460  0.00  0.00    +0.073 A 
ATOM      9  N   LIG    1        1.356   1.311   0.569  0.00  0.00    -0.169 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        2.401  -0.823   0.184  0.00  0.00    +0.068 A 
ATOM     11  C   LIG    1        3.624  -0.292   0.636  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        4.776  -1.084   0.676  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        4.715  -2.411   0.263  0.00  0.00    +0.018 A 
ATOM     14 BR   LIG    1        6.269  -3.485   0.315  0.00  0.00    -0.050 Br
ATOM     15  C   LIG    1        3.514  -2.952  -0.188  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1        2.359  -2.162  -0.228  0.00  0.00    +0.029 A 
ENDBRANCH   7  10
BRANCH   1  18
ATOM     17  C   LIG    1        0.665   3.603   2.191  0.00  0.00    +0.014 C 
ATOM     18  C   LIG    1       -0.078   3.267   0.890  0.00  0.00    +0.034 C 
ATOM     19  C   LIG    1        0.328   4.249  -0.211  0.00  0.00    +0.014 C 
ENDBRANCH   1  18
BRANCH   5  20
ATOM     20  C   LIG    1       -2.395  -2.822  -1.489  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1       -3.456  -3.546  -0.692  0.00  0.00    +0.010 C 
ATOM     22  C   LIG    1       -2.066  -4.103  -0.755  0.00  0.00    +0.010 C 
ENDBRANCH   5  20
BRANCH   8  23
ATOM     23  C   LIG    1       -3.033   2.020  -0.449  0.00  0.00    +0.338 C 
ATOM     24  O   LIG    1       -2.710   3.178  -0.619  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -4.317   1.681  -0.230  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1       -4.795   2.538  -0.242  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH   8  23
TORSDOF 5