REMARK  Name = BDB002090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.237  -0.941   2.805  0.00  0.00    -0.244 OA
ATOM      2  C   LIG    1       -0.844  -0.564   1.707  0.00  0.00    +0.348 A 
ATOM      3  C   LIG    1       -1.794  -0.102   0.690  0.00  0.00    +0.085 A 
ATOM      4  C   LIG    1       -1.278   0.309  -0.529  0.00  0.00    +0.082 A 
ATOM      5  C   LIG    1       -2.155   0.755  -1.520  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -3.532   0.787  -1.286  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.041   0.371  -0.055  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        0.088   0.285  -0.783  0.00  0.00    -0.209 NA
ATOM      9  C   LIG    1        0.859  -0.136   0.164  0.00  0.00    +0.267 A 
ATOM     10  C   LIG    1       -3.172  -0.075   0.939  0.00  0.00    +0.017 A 
ATOM     11  O   LIG    1        0.470  -0.560   1.390  0.00  0.00    -0.400 OA
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        2.292  -0.209   0.027  0.00  0.00    +0.191 A 
ATOM     13  O   LIG    1        2.861   0.184  -1.157  0.00  0.00    -0.443 OA
ATOM     14  C   LIG    1        4.204   0.023  -1.038  0.00  0.00    +0.171 A 
ATOM     15 BR   LIG    1        5.457   0.427  -2.411  0.00  0.00    -0.008 Br
ATOM     16  C   LIG    1        4.520  -0.469   0.206  0.00  0.00    +0.058 A 
ATOM     17  C   LIG    1        3.291  -0.619   0.894  0.00  0.00    +0.056 A 
ENDBRANCH   9  12
TORSDOF 1