REMARK  Name = BDB000592
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.342   2.838   1.478  0.00  0.00    -0.282 OA
ATOM      2  C   LIG    1       -0.804   1.937   0.877  0.00  0.00    +0.250 C 
ATOM      3  C   LIG    1       -1.410   0.681   0.438  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -0.423  -0.053  -0.221  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -0.723  -1.297  -0.745  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -2.030  -1.780  -0.589  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -3.012  -1.023   0.079  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        0.795   0.649  -0.242  0.00  0.00    -0.263 N 
ATOM      9  C   LIG    1       -2.705   0.231   0.605  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.670   1.870   0.408  0.00  0.00    +0.291 C 
ATOM     11  O   LIG    1        1.512   2.722   0.593  0.00  0.00    -0.266 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        2.038   0.186  -0.822  0.00  0.00    +0.125 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.070  -0.245   0.213  0.00  0.00    +0.099 C 
ATOM     14 BR   LIG    1        2.585  -1.954   1.017  0.00  0.00    -0.090 Br
ENDBRANCH  12  13
ENDBRANCH   8  12
TORSDOF 2